TCM-ID Component

Description of the Component

Component ID	TCMH2309
Latin Name	Allium macrostemon
English Name	Longstamen onion
Chinese Pinyin Name	Xie Bai
中文名	è–¤ç™½
TCM Properties	Warm,Pungent,Bitter
TCM Meridians	Lung,Large Intestine,Stomach
Therapeutic Class English	Regulation of qi
Therapeutic Class Chinese	ç†æ°”
Functions	remove the retained phlegm from the chest, promote the flow of qi and relieve its stagnation
Toxicity	NA
Geo-authentic habitats (道地产区)	Jiangsu Province,Shanghai
Reference	Chinese Pharmacopoeia (2015)
Barcode ID	ITSAL4510-14
Barcode Source	BOLDSYSTEMS

TCM Prescriptions with the Component

Prescription ID	Prescription English Name	Prescription Chinese Name
TCMFx1995	Added Flavor BXHP Decoction	ä»·ä½åŠå¤åŽšæœ´æ±¤
TCMF610	Bu Xin Qi Oral Liquid	è¡¥å¿ƒæ°”å£æœæ¶²
TCMF367	Dan Lou Tablet	ä¸¹è’Œç‰‡
TCMFx2807	Gua Lou Xie Bai Ban Xia Decoction	ç“œè’Œè–¤ç™½åŠå¤æ±¤
TCMF4339	Jing Zhi Ke Sou Tan Chuan Pills	äº¬åˆ¶å’³å—½ç—°å–˜ä¸¸
TCMFx2899	Kuo Lou Xie Bai Ban Xia Decoction	æ‹¬è’Œè–¤ç™½åŠå¤æ±¤
TCMFx1746	Poncirus Allium Cinnamomum Decoction	æž³å®žè–¤ç™½æ¡‚æžæ±¤
TCMF4925	Qi Guan Yan Pills	æ°”ç®¡ç‚Žä¸¸
TCMF5517	Shu Xin Jiang Zhi Tablets	èˆ’å¿ƒé™è„‚ç‰‡
TCMF5523	Shu Xin Ning Tablets	èˆ’å¿ƒå®ç‰‡
TCMFx2200	Stomach Pain Tested Recipe	èƒƒç‚ŽéªŒæ–¹
TCMFx107	Tong Xie Ning Granules	ç—›æ³»å®é¢—ç²’
TCMFx2760	TrichoSan thes Fruit, Chinese Chive, and Pinellia Decoction	æ‹¬è’Œè–¤ç™½åŠå¤æ±¤
TCMFx1544	Tricosanthes Allium Wine Decoction	ç“œè’Œè–¤ç™½ç™½é…’æ±¤
TCMFx5572	Wei Bing Pills	èƒƒç—…ä¸¸
TCMF6010	Xiang Lian Hua Zhi Tablets	é¦™è¿žåŒ–æ»žç‰‡
TCMF376	Xin Nao Ning Capsule	å¿ƒè„‘å®èƒ¶å›Š
TCMF2266	Yang Warming and Qi Benefiting Decoction	æ¸©é˜³ç›Šæ°”é€šè„‰æ±¤
TCMFx1140	Zhen Xin Tong Oral Liquid	é•‡å¿ƒç—›å£æœæ¶²
TCMFx2811	Zhi Shi Xie Bai Gui Zhi Decoction	æž³å®žè–¤ç™½æ¡‚æžæ±¤

Targeted Human Proteins by the Ingredient of Component

Target ID	Gene Symbol	Target Name	Target Class	Uniprot ID
TCMT1	EHMT2	Histone-lysine N-methyltransferase, H3 lysine-9 specific 3	Transferase	Q96KQ7
TCMT101	PTPN1	Protein-tyrosine phosphatase 1B	Hydrolase	P18031
TCMT11	HIF1A	Hypoxia-inducible factor 1 alpha	Transcription factor	Q16665
TCMT112	ADORA3	Adenosine A3 receptor	GPCR	P0DMS8
TCMT126	TERT	Telomerase reverse transcriptase	Transferase	O14746
TCMT150	RORC	Nuclear receptor ROR-gamma	Nuclear receptor	P51449
TCMT162	UGT1A1	UDP-glucuronosyltransferase 1-1	Transferase	P22309
TCMT17	POLB	DNA polymerase beta	Transferase	P06746
TCMT186	MAOB	Monoamine oxidase B	Oxidoreductase	P27338
TCMT2	MAPT	Microtubule-associated protein tau	Unclassified	P10636
TCMT208	MAOA	Monoamine oxidase A	Oxidoreductase	P21397
TCMT265	GSK3B	Glycogen synthase kinase-3 beta	Kinase	P49841
TCMT296	ADORA1	Adenosine A1 receptor	GPCR	P30542
TCMT3	ALOX15	Arachidonate 15-lipoxygenase	Oxidoreductase	P16050
TCMT31	CYP2C19	Cytochrome P450 2C19	Oxidoreductase	P33261
TCMT327	TRPV1	Vanilloid receptor	Ion channel	Q8NER1
TCMT33	CYP3A4	Cytochrome P450 3A4	Oxidoreductase	P08684
TCMT336	IDO1	Indoleamine 2,3-dioxygenase	Oxidoreductase	P14902
TCMT34	CYP2D6	Cytochrome P450 2D6	Oxidoreductase	P10635
TCMT42	KMT2A	Histone-lysine N-methyltransferase MLL	Transferase	Q03164
TCMT423	EGFR	Epidermal growth factor receptor erbB1	Kinase	P00533
TCMT571	ADORA2B	Adenosine A2b receptor	GPCR	P29275
TCMT597	SLC28A3	Solute carrier family 28 member 3	Transporter	Q9HAS3
TCMT620	HSPA8	Heat shock cognate 71 kDa protein	Unclassified	P11142
TCMT632	PNP	Purine nucleoside phosphorylase	Transferase	P00491
TCMT683	MIF	Macrophage migration inhibitory factor	Isomerase	P14174
TCMT689	TGM2	Protein-glutamine gamma-glutamyltransferase	Transferase	P21980
TCMT704	ERBB2	Receptor protein-tyrosine kinase erbB-2	Kinase	P04626
TCMT707	ADORA2A	Adenosine A2a receptor	GPCR	P29274
TCMT709	SLC28A2	Sodium/nucleoside cotransporter 2	Transporter	O43868
TCMT710	SLC28A1	Sodium/nucleoside cotransporter 1	Transporter	O00337
TCMT8	KDM4E	Lysine-specific demethylase 4D-like	Oxidoreductase	B2RXH2
TCMT80	MAPK1	MAP kinase ERK2	Kinase	P28482
TCMT87	CYP2C9	Cytochrome P450 2C9	Oxidoreductase	P11712

Targeted Pathogenic Microbes by the Ingredient of Component

Target ID	Target Name
TCMT1346	Helicobacter pylori
TCMT1438	Plasmodium falciparum
TCMT1454	Bacillus subtilis
TCMT1462	Streptococcus mutans

Ingredient Structrues

Ingredient ID: TCMC7335
Formula: C20H32O4

Common Name	Prostaglandin A1
IUPAC Name	7-[(1R,2S)-2-[(Z,3S)-3-hydroxyoct-1-enyl]-5-oxocyclopent-3-en-1-yl]heptanoic acid
Canonical SMILES	CCCCC[C@@H](/C=C[C@H]1C=CC(=O)[C@@H]1CCCCCCC(=O)[O-])O
Standard InCHI	InChI=1S/C20H32O4/c1-2-3-6-9-17(21)14-12-16-13-15-19(22)18(16)10-7-4-5-8-11-20(23)24/h12-18,21H,2-11H2,1H3,(H,23,24)/p-1/b14-12-/t16-,17-,18+/m0/s1
Standard InCHIKey	BGKHCLZFGPIKKU-FNQWWAFDSA-M
External Identifiers	ChEMBL [N/A]; PubChem [124524606];
Reference of Component-Ingredient Pair	N/A

Occurrence of the ingredient across TCM components

Component ID	Latin Name	Pinyin Name	Chinese Name
TCMH2309	Allium macrostemon	Xie Bai	è–¤ç™½

Ingredient ID: TCMC7235
Formula: C51H84O23

Common Name	Macrostemonoside A
IUPAC Name	(2S,3R,4S,5S,6R)-2-[(2S,3R,4S,5R,6R)-2-[(2R,3R,4R,5R,6R)-4,5-dihydroxy-2-(hydroxymethyl)-6-[(1R,2S,4S,5'R,6R,7S,8R,9S,12S,13S,16S,18S)-5',7,9,13-tetramethylspiro[5-oxapentacyclo[10.8.0.02,9.04,8.013,18]icosane-6,2'-oxane]-16-yl]oxyoxan-3-yl]oxy-5-hydroxy-6-(hydroxymethyl)-3-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-4-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol
Canonical SMILES	OC[C@H]1O[C@@H](O[C@H]2CC[C@]3([C@H](C2)CC[C@@H]2[C@@H]3CC[C@]3([C@H]2C[C@H]2[C@@H]3[C@H](C)[C@]3(O2)CC[C@H](CO3)C)C)C)[C@@H]([C@H]([C@H]1O[C@@H]1O[C@H](CO)[C@H]([C@@H]([C@H]1O[C@@H]1O[C@H](CO)[C@H]([C@@H]([C@H]1O)O)O)O[C@@H]1O[C@H](CO)[C@H]([C@@H]([C@H]1O)O)O)O)O)O
Standard InCHI	InChI=1S/C51H84O23/c1-20-7-12-51(65-19-20)21(2)32-27(74-51)14-26-24-6-5-22-13-23(8-10-49(22,3)25(24)9-11-50(26,32)4)66-45-41(64)38(61)42(31(18-55)70-45)71-48-44(73-47-40(63)37(60)34(57)29(16-53)68-47)43(35(58)30(17-54)69-48)72-46-39(62)36(59)33(56)28(15-52)67-46/h20-48,52-64H,5-19H2,1-4H3/t20-,21+,22+,23+,24-,25+,26+,27+,28-,29-,30-,31-,32+,33-,34-,35-,36+,37+,38-,39-,40-,41-,42+,43+,44-,45-,46+,47+,48+,49+,50+,51-/m1/s1
Standard InCHIKey	HMQLHCKDYUUVRG-GZWLYJSMSA-N
External Identifiers	ChEMBL [N/A]; PubChem [101932448];
Reference of Component-Ingredient Pair	N/A

Occurrence of the ingredient across TCM components

Component ID	Latin Name	Pinyin Name	Chinese Name
TCMH2309	Allium macrostemon	Xie Bai	è–¤ç™½

Ingredient ID: TCMC7203
Formula: C45H74O19

Common Name	Macrostemonoside L
IUPAC Name	(2R,3R,4S,5S,6R)-2-[(2R)-4-[(1R,2S,4S,8S,9S,12S,13S,15S,16R,18R)-16-[(2R,3R,4S,5R,6R)-4,5-dihydroxy-6-(hydroxymethyl)-3-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-15-hydroxy-7,9,13-trimethyl-5-oxapentacyclo[10.8.0.02,9.04,8.013,18]icos-6-en-6-yl]-2-methylbutoxy]-6-(hydroxymethyl)oxane-3,4,5-triol
Canonical SMILES	OC[C@H]1O[C@@H](O[C@@H]2C[C@H]3CC[C@@H]4[C@@H]([C@]3(C[C@@H]2O)C)CC[C@]2([C@H]4C[C@H]3[C@@H]2C(=C(O3)CC[C@H](CO[C@@H]2O[C@H](CO)[C@H]([C@@H]([C@H]2O)O)O)C)C)C)[C@@H]([C@H]([C@H]1O)O)O[C@@H]1O[C@H](CO)[C@H]([C@@H]([C@H]1O)O)O
Standard InCHI	InChI=1S/C45H74O19/c1-18(17-58-41-38(56)35(53)32(50)28(14-46)61-41)5-8-25-19(2)31-27(59-25)12-23-21-7-6-20-11-26(24(49)13-45(20,4)22(21)9-10-44(23,31)3)60-43-40(37(55)34(52)30(16-48)63-43)64-42-39(57)36(54)33(51)29(15-47)62-42/h18,20-24,26-43,46-57H,5-17H2,1-4H3/t18-,20-,21-,22+,23+,24+,26-,27+,28-,29-,30-,31+,32-,33-,34+,35+,36+,37+,38-,39-,40-,41-,42+,43-,44+,45+/m1/s1
Standard InCHIKey	QEJIXVVELVKWFA-IDSKHDLQSA-N
External Identifiers	ChEMBL [N/A]; PubChem [101669620];
Reference of Component-Ingredient Pair	N/A

Occurrence of the ingredient across TCM components

Component ID	Latin Name	Pinyin Name	Chinese Name
TCMH2309	Allium macrostemon	Xie Bai	è–¤ç™½

Ingredient ID: TCMC6882
Formula: C24H48O2

Common Name	21-Methyl Tricosanoic Acid
IUPAC Name	(21R)-21-methyltricosanoic acid
Canonical SMILES	CC[C@H](CCCCCCCCCCCCCCCCCCCC(=O)[O-])C
Standard InCHI	InChI=1S/C24H48O2/c1-3-23(2)21-19-17-15-13-11-9-7-5-4-6-8-10-12-14-16-18-20-22-24(25)26/h23H,3-22H2,1-2H3,(H,25,26)/p-1/t23-/m1/s1
Standard InCHIKey	ZFMBTKXCQZOFGH-HSZRJFAPSA-M
External Identifiers	ChEMBL [N/A]; PubChem [71367623];
Reference of Component-Ingredient Pair	N/A

Occurrence of the ingredient across TCM components

Component ID	Latin Name	Pinyin Name	Chinese Name
TCMH2309	Allium macrostemon	Xie Bai	è–¤ç™½

Ingredient ID: TCMC671
Formula: C10H16

Common Name	Alpha-Pinene
IUPAC Name	4,6,6-trimethylbicyclo[3.1.1]hept-3-ene
Canonical SMILES	CC1=CCC2CC1C2(C)C
Standard InCHI	InChI=1S/C10H16/c1-7-4-5-8-6-9(7)10(8,2)3/h4,8-9H,5-6H2,1-3H3
Standard InCHIKey	GRWFGVWFFZKLTI-UHFFFAOYSA-N
External Identifiers	ChEMBL [CHEMBL442565]; PubChem [6654];
Reference of Component-Ingredient Pair	29191726

Occurrence of the ingredient across TCM components

Component ID	Latin Name	Pinyin Name	Chinese Name
TCMH4	Ferula assafoetida	A Wei	é˜¿é
TCMH211	Atractylodes lancea	Cang Zhu	è‹æœ¯
TCMH907	Piper nigrum	Hu Jiao	èƒ¡æ¤’
TCMH1063	Curcuma longa	Jiang Huang	å§œé»„
TCMH924	Zanthoxylum bungeanum	Hua Jiao	èŠ±æ¤’
TCMH265	Laggera pterodonta	Chu Ling Dan Cao	è‡çµä¸¹è‰
TCMH1753	Boswellia carterii	Ru Xiang	ä¹³é¦™
TCMH1165	Murraya paniculata	Jiu Li Xiang	ä¹é‡Œé¦™
TCMH491	Oleum ocimi gratissimi	Ding Xiang Luo Le You	ä¸é¦™ç½—å‹’æ²¹
TCMH307	Cnidium officinale	Chuan Xiong Jin Gao	å·èŠŽæµ¸è†
TCMH1923	Acorus tatarinowii	Shi Chang Pu Qing Gao	çŸ³è–è’²æ¸…è†
TCMH1825	Litsea cubeba	Shan Jiang Zi	å±±å§œå
TCMH1872	Cnidium monnieri	She Ma Zi	è›‡éº»å
TCMH800	Herba ecliptae prostratae	Han Lian Cao	æ—±èŽ²è‰
TCMH422	Angelica sinensis	Dang Gui Gan Jin Gao	å½“å½’å¹²æµ¸è†
TCMH1839	Panax ginseng	Shan Shen	å±±å‚
TCMH685	Syzygium aromaticum	Gong Ding Xiang	å…¬ä¸é¦™
TCMH670	Ligusticum sinense	Gao Ben	è—æœ¬
TCMH970	Vitex negundo	Huang Jing Zi	é»„è†å
TCMH223	Platycladus orientalis	Ce Bai Tan	ä¾§æŸç‚
TCMH1660	Senecio scandens	Qian Li Guang	åƒé‡Œå…‰
TCMH1000	Foeniculum vulgare	Hui Xiang	èŒ´é¦™
TCMH1903	Zingiber officinale	Sheng Jiang	ç”Ÿå§œ
TCMH447	Illicium difengpi	Di Feng Pi	åœ°æž«çš®
TCMH961	Artemisia scoparia	Huang Hao	é»„è’¿
TCMH1531	Akebia quinata	Mu Tong	æœ¨é€š
TCMH148	Glehnia littoralis	Bei Sha Shen Liu Jin Gao	åŒ—æ²™å‚æµæµ¸è†
TCMH348	Lobelia chinensis	Da Ban Bian Lian	å¤§åŠè¾¹èŽ²
TCMH71	Oldenlandia diffusa	Bai Hua She She Cao	ç™½èŠ±è›‡èˆŒè‰
TCMH1272	Forsythia suspensa	Lian Qiao	è¿žç¿˜
TCMH160	Piper cubeba	Bi Cheng Qie	æ¯•æ¾„èŒ„
TCMH203	Acorus calamus	Cang Chang Pu	è—è–è’²
TCMH1741	Myristica fragrans	Rou Dou Kou	è‚‰è±†è”»
TCMH1804	Amomum villosum	Sha Ren Ye	ç ‚ä»å¶
TCMH1184	Citrus reticulata	Ju Pi	æ©˜çš®
TCMH1437	Rhododendron dauricum	Man Shan Hong	æ»¡å±±çº¢
TCMH13	Artemisia argyi	Ai Ye You	è‰¾å¶æ²¹
TCMH1777	Panax notoginseng	San Qi Ye Jing	ä¸‰ä¸ƒå¶èŒŽ
TCMH1846	Artemisia capillaris	Shan Yin Chen	å±±èŒµé™ˆ
TCMH1803	Amomum villosum	Sha Ren	ç ‚ä»
TCMH122	Lobelia chinensis	Ban Bian Lian	åŠè¾¹èŽ²
TCMH421	Angelica sinensis	Dang Gui	å½“å½’
TCMH1866	Cnidium monnieri	She Chuang Zi	è›‡åºŠå
TCMH1225	Valeriana officinalis	Kuan Ye Xie Cao	å®½å¶ç¼¬è‰
TCMH1943	Punica granatum	Shi Liu	çŸ³æ¦´
TCMH1944	Punica granatum	Shi Liu Pi	çŸ³æ¦´çš®
TCMH1945	Punica granatum	Shi Liu Zi	çŸ³æ¦´å
TCMH1770	Panax notoginseng	San Qi Gan Jin Gao	ä¸‰ä¸ƒå¹²æµ¸è†
TCMH1771	Panax notoginseng	San Qi Gao Fen	ä¸‰ä¸ƒè†ç²‰
TCMH1772	Panax notoginseng	San Qi Hua	ä¸‰ä¸ƒèŠ±
TCMH1774	Panax notoginseng	San Qi Jing Ye	ä¸‰ä¸ƒèŒŽå¶
TCMH1776	Panax notoginseng	San Qi Ye	ä¸‰ä¸ƒå¶
TCMH309	Curcuma longa	Chuan Yu Jin	å·éƒé‡‘
TCMH1178	Citrus reticulata	Ju He	æ©˜æ ¸
TCMH12	Artemisia argyi	Ai Ye	è‰¾å¶
TCMH264	Laggera pterodonta	Chu Ling Dan	è‡çµä¸¹
TCMH64	Piper nigrum	Bai Hu Jiao	ç™½èƒ¡æ¤’
TCMH839	Piper nigrum	Hei Hu Jiao	é»‘èƒ¡æ¤’
TCMH511	Litsea cubeba	Dou Chi Jiang	è±†è±‰å§œ
TCMH1812	Litsea cubeba	Shan Cang Zi	å±±è‹å
TCMH1721	Panax ginseng	Ren Shen	äººå‚
TCMH1728	Panax ginseng	Ren Shen Ye	äººå‚å¶
TCMH228	Bupleurum chinense	Chai Hu	æŸ´èƒ¡
TCMH229	Bupleurum chinense	Chai Hu Jin Gao	æŸ´èƒ¡æµ¸è†
TCMH230	Bupleurum chinense	Chai Hu Shao	æŸ´èƒ¡æ¢¢
TCMH305	Cnidium officinale	Chuan Xiong	å·èŠŽ
TCMH486	Syzygium aromaticum	Ding Xiang	ä¸é¦™
TCMH253	Citrus aurantium	Cheng Pi	æ©™çš®
TCMH1920	Acorus tatarinowii	Shi Chang Pu	çŸ³è–è’²
TCMH1922	Acorus tatarinowii	Shi Chang Pu Jin Gao	çŸ³è–è’²æµ¸è†
TCMH147	Glehnia littoralis	Bei Sha Shen	åŒ—æ²™å‚
TCMH2407	Bupleurum chinense	Yan Tai Chai Hu	çƒŸå°æŸ´èƒ¡
TCMH2630	Citrus aurantium	Zhi Shi	æž³å®ž
TCMH2495	Artemisia capillaris	Yin Chen Hao Gan Jin Gao	èŒµé™ˆè’¿å¹²æµ¸è†
TCMH2144	Inula helenium	Tu Mu Xiang	åœŸæœ¨é¦™
TCMH2040	Liquidambar orientalis	Su He Xiang	è‹åˆé¦™
TCMH2538	Zea mays	Yu Mi Xu	çŽ‰ç±³é¡»
TCMH2491	Alpinia oxyphylla	Yi Zhi Ren	ç›Šæ™ºä»
TCMH2265	Cyperus rotundus	Xiang Fu	é¦™é™„
TCMH2050	Punica granatum	Suan Shi Liu	é…¸çŸ³æ¦´
TCMH2309	Allium macrostemon	Xie Bai	è–¤ç™½
TCMH2239	Asarum sieboldii	Xi Xin	ç»†è¾›
TCMH2551	Polygonatum odoratum	Yu Zhu	çŽ‰ç«¹
TCMH2206	Schisandra chinensis	Wu Wei Zi Liu Jin Gao	äº”å‘³åæµæµ¸è†
TCMH2545	Houttuynia cordata	Yu Xing Cao	é±¼è…¥è‰
TCMH2452	Chrysanthemum indicum	Ye Ju Hua	é‡ŽèŠèŠ±
TCMH2698	Valeriana officinalis	Zhua Di Hu	æŠ“åœ°è™Ž
TCMH2282	Citrus medica	Xiang Yuan Pi	é¦™æ©¼çš®
TCMH2211	Artemisia princeps	Wu Yue Ai	äº”æœˆè‰¾
TCMH2154	Artemisia capillaris	Tu Yin Chen Hao	åœŸèŒµé™ˆè’¿
TCMH2494	Artemisia capillaris	Yin Chen Hao	èŒµé™ˆè’¿
TCMH2281	Citrus medica	Xiang Yuan	é¦™æ©¼
TCMH2310	Valeriana officinalis	Xie Cao	ç¼¬è‰
TCMH2488	Alpinia oxyphylla	Yi Zhi	ç›Šæ™º
TCMH2613	Citrus aurantium	Zhi Geng	æž³æ¢—
TCMH2618	Citrus aurantium	Zhi Ke	æž³å£³
TCMH2619	Citrus aurantium	Zhi Ke Gan Jin Gao	æž³å£³å¹²æµ¸è†
TCMH2202	Schisandra chinensis	Wu Wei Zi	äº”å‘³å
TCMH2203	Schisandra chinensis	Wu Wei Zi Chun Jin Gao	äº”å‘³åé†‡æµ¸è†
TCMH2204	Schisandra chinensis	Wu Wei Zi Jin Chu Wu	äº”å‘³åæµ¸å‡ºç‰©
TCMH2205	Schisandra chinensis	Wu Wei Zi Jin Gao	äº”å‘³åæµ¸è†

Ingredient ID: TCMC662
Formula: C4H5NS

Common Name	Allyl Isothiocyanate
IUPAC Name	3-isothiocyanatoprop-1-ene
Canonical SMILES	C=CCN=C=S
Standard InCHI	InChI=1S/C4H5NS/c1-2-3-5-4-6/h2H,1,3H2
Standard InCHIKey	ZOJBYZNEUISWFT-UHFFFAOYSA-N
External Identifiers	ChEMBL [CHEMBL233248]; PubChem [5971];
Reference of Component-Ingredient Pair	27038267

Occurrence of the ingredient across TCM components

Component ID	Latin Name	Pinyin Name	Chinese Name
TCMH317	Capsella bursa-pastoris	Ci Cai	è èœ
TCMH685	Syzygium aromaticum	Gong Ding Xiang	å…¬ä¸é¦™
TCMH1090	Brassica juncea	Jie Zi	èŠ¥å
TCMH79	Sinapis alba	Bai Jie Zi	ç™½èŠ¥å
TCMH1734	Homo sapiens	Ren Zhong Bai	äººä¸ç™½
TCMH486	Syzygium aromaticum	Ding Xiang	ä¸é¦™
TCMH2710	Homo sapiens	Zi He Che	ç´«æ²³è½¦
TCMH2309	Allium macrostemon	Xie Bai	è–¤ç™½

Ingredient ID: TCMC657
Formula: C6H10S3

Common Name	Allitridin
IUPAC Name	3-(prop-2-enyltrisulfanyl)prop-1-ene
Canonical SMILES	C=CCSSSCC=C
Standard InCHI	InChI=1S/C6H10S3/c1-3-5-7-9-8-6-4-2/h3-4H,1-2,5-6H2
Standard InCHIKey	UBAXRAHSPKWNCX-UHFFFAOYSA-N
External Identifiers	ChEMBL [CHEMBL123040]; PubChem [16315];
Reference of Component-Ingredient Pair	19707466

Occurrence of the ingredient across TCM components

Component ID	Latin Name	Pinyin Name	Chinese Name
TCMH382	Allium sativum	Da Suan	å¤§è’œ
TCMH1791	Loranthus parasiticus	Sang Ji Sheng	æ¡‘å¯„ç”Ÿ
TCMH2309	Allium macrostemon	Xie Bai	è–¤ç™½

Ingredient ID: TCMC656
Formula: C6H10OS2

Common Name	Allicin
IUPAC Name	3-prop-2-enylsulfinylsulfanylprop-1-ene
Canonical SMILES	C=CCSS(=O)CC=C
Standard InCHI	InChI=1S/C6H10OS2/c1-3-5-8-9(7)6-4-2/h3-4H,1-2,5-6H2
Standard InCHIKey	JDLKFOPOAOFWQN-UHFFFAOYSA-N
External Identifiers	ChEMBL [CHEMBL359965]; PubChem [65036];
Reference of Component-Ingredient Pair	21792365

Occurrence of the ingredient across TCM components

Component ID	Latin Name	Pinyin Name	Chinese Name
TCMH334	Allium fistulosum	Cong Bai	è‘±ç™½
TCMH382	Allium sativum	Da Suan	å¤§è’œ
TCMH333	Bulbus allii fistulosi	Cong	è‘±
TCMH336	Bulbus allii fistulosi	Cong Tou	è‘±å¤´
TCMH2309	Allium macrostemon	Xie Bai	è–¤ç™½
TCMH2018	Bulbus allii fistulosi	Si Ji Cong Tou	å››å£è‘±å¤´

Ingredient ID: TCMC632
Formula: C10H13N5O4

Common Name	Adenosine
IUPAC Name	(2R,3R,4S,5R)-2-(6-aminopurin-9-yl)-5-(hydroxymethyl)oxolane-3,4-diol
Canonical SMILES	OC[C@H]1O[C@H]([C@@H]([C@@H]1O)O)n1cnc2c1ncnc2N
Standard InCHI	InChI=1S/C10H13N5O4/c11-8-5-9(13-2-12-8)15(3-14-5)10-7(18)6(17)4(1-16)19-10/h2-4,6-7,10,16-18H,1H2,(H2,11,12,13)/t4-,6-,7-,10-/m1/s1
Standard InCHIKey	OIRDTQYFTABQOQ-KQYNXXCUSA-N
External Identifiers	ChEMBL [CHEMBL477]; PubChem [60961];
Reference of Component-Ingredient Pair	29968805

Occurrence of the ingredient across TCM components

Component ID	Latin Name	Pinyin Name	Chinese Name
TCMH86	Ampelopsis japonica	Bai Lian	ç™½è”¹
TCMH914	Sesamum indicum	Hu Ma Ren	èƒ¡éº»ä»
TCMH211	Atractylodes lancea	Cang Zhu	è‹æœ¯
TCMH1656	Angelica decursiva	Qian Hu	å‰èƒ¡
TCMH382	Allium sativum	Da Suan	å¤§è’œ
TCMH1626	Fritillaria ussuriensis	Ping Bei Mu	å¹³è´æ¯
TCMH1177	Ilex cornuta	Ju Gu Ye	æž¸éª¨å¶
TCMH865	Carthamus tinctorius	Hong Hua	çº¢èŠ±
TCMH274	Fritillaria cirrhosa	Chuan Bei Mu Liu Jin Gao	å·è´æ¯æµæµ¸è†
TCMH1791	Loranthus parasiticus	Sang Ji Sheng	æ¡‘å¯„ç”Ÿ
TCMH985	Astragalus membranaceus	Huang Qi Ti Qu Ye	é»„èŠªæå–æ¶²
TCMH1894	Pinellia ternata	Sheng Ban Xia	ç”ŸåŠå¤
TCMH1299	Ganoderma lucidum	Ling Zhi(1)	çµèŠ
TCMH428	Codonopsis pilosula	Dang Shen Qing Gao	å…šå‚æ¸…è†
TCMH1322	Solanum nigrum	Long Kui	é¾™è‘µ
TCMH422	Angelica sinensis	Dang Gui Gan Jin Gao	å½“å½’å¹²æµ¸è†
TCMH1839	Panax ginseng	Shan Shen	å±±å‚
TCMH1519	Oroxylum indicum	Mu Hu Die	æœ¨è´è¶
TCMH388	Ziziphus jujuba	Da Zao	å¤§æž£
TCMH1197	Selaginella tamariscina	Juan Bai	å·æŸ
TCMH1966	Rehmannia glutinosa	Shu Di Huang	ç†Ÿåœ°é»„
TCMH970	Vitex negundo	Huang Jing Zi	é»„è†å
TCMH1483	Tussilago farfara	Mi Kuan Dong Hua	èœœæ¬¾å†¬èŠ±
TCMH494	Cordyceps sinensis	Dong Chong Xia Cao	å†¬è™«å¤è‰
TCMH1176	Allium tuberosum	Jiu Zi	éŸå
TCMH148	Glehnia littoralis	Bei Sha Shen Liu Jin Gao	åŒ—æ²™å‚æµæµ¸è†
TCMH562	Saposhnikovia divaricata	Fang Feng	é˜²é£Ž
TCMH1305	Laggera alata	Liu Ling Ju	å…æ£±èŠ
TCMH1428	Ophiopogon japonicus	Mai Men Dong	éº¦é—¨å†¬
TCMH1714	Lonicera japonica	Ren Dong Teng	å¿å†¬è—¤
TCMH1777	Panax notoginseng	San Qi Ye Jing	ä¸‰ä¸ƒå¶èŒŽ
TCMH1512	Isatis indigotica	Mu Da Qing Ye	æœ¨å¤§é’å¶
TCMH1155	Allium tuberosum	Jiu Cai	éŸèœ
TCMH273	Fritillaria cirrhosa	Chuan Bei Mu	å·è´æ¯
TCMH1127	Lonicera japonica	Jin Yin Hua	é‡‘é“¶èŠ±
TCMH1128	Lonicera japonica	Jin Yin Hua Ti Qu Ye	é‡‘é“¶èŠ±æå–æ¶²
TCMH421	Angelica sinensis	Dang Gui	å½“å½’
TCMH426	Codonopsis pilosula	Dang Shen	å…šå‚
TCMH1734	Homo sapiens	Ren Zhong Bai	äººä¸ç™½
TCMH130	Pinellia ternata	Ban Xia	åŠå¤
TCMH131	Pinellia ternata	Ban Xia Qu	åŠå¤æ›²
TCMH1677	Pinellia ternata	Qing Ban Xia	æ¸…åŠå¤
TCMH705	Trichosanthes kirilowii	Gua Lou	ç“œè’Œ
TCMH706	Trichosanthes kirilowii	Gua Lou Pi	ç“œè’Œçš®
TCMH707	Trichosanthes kirilowii	Gua Lou Ren	ç“œè’Œä»
TCMH708	Trichosanthes kirilowii	Gua Lou Ren Shuang	ç“œè’Œä»éœœ
TCMH709	Trichosanthes kirilowii	Gua Lou Shi	æ è’Œå®ž
TCMH711	Trichosanthes kirilowii	Gua Lou Gen	æ æ¥¼æ ¹
TCMH712	Trichosanthes kirilowii	Gua Lou Ren(1)	æ æ¥¼ä»
TCMH1770	Panax notoginseng	San Qi Gan Jin Gao	ä¸‰ä¸ƒå¹²æµ¸è†
TCMH1771	Panax notoginseng	San Qi Gao Fen	ä¸‰ä¸ƒè†ç²‰
TCMH1772	Panax notoginseng	San Qi Hua	ä¸‰ä¸ƒèŠ±
TCMH1774	Panax notoginseng	San Qi Jing Ye	ä¸‰ä¸ƒèŒŽå¶
TCMH1776	Panax notoginseng	San Qi Ye	ä¸‰ä¸ƒå¶
TCMH848	Sesamum indicum	Hei Zhi Ma	é»‘èŠéº»
TCMH913	Sesamum indicum	Hu Ma	èƒ¡éº»
TCMH981	Astragalus membranaceus	Huang Qi	é»„èŠª
TCMH983	Astragalus membranaceus	Huang Qi Gan Jin Gao	é»„èŠªå¹²æµ¸è†
TCMH984	Astragalus membranaceus	Huang Qi Jin Gao	é»„èŠªæµ¸è†
TCMH1296	Ganoderma lucidum	Ling Zhi Jin Gao	çµèŠæµ¸è†
TCMH1721	Panax ginseng	Ren Shen	äººå‚
TCMH1728	Panax ginseng	Ren Shen Ye	äººå‚å¶
TCMH519	Pogostemon cablin	Du Huo Xiang	æœè—¿é¦™
TCMH728	Pogostemon cablin	Guang Huo Xiang	å¹¿è—¿é¦™
TCMH1008	Pogostemon cablin	Huo Xiang	è—¿é¦™
TCMH1009	Pogostemon cablin	Huo Xiang Ye	è—¿é¦™å¶
TCMH126	Isatis indigotica	Ban Lan	æ¿è“
TCMH127	Isatis indigotica	Ban Lan Gen	æ¿è“æ ¹
TCMH381	Isatis indigotica	Da Qing Ye	å¤§é’å¶
TCMH1510	Isatis indigotica	Mu Ban Lan Gen	æœ¨æ¿è“æ ¹
TCMH1223	Tussilago farfara	Kuan Dong Hua	æ¬¾å†¬èŠ±
TCMH8	Rehmannia glutinosa	Ai Di Huang	çŸ®åœ°é»„
TCMH451	Rehmannia glutinosa	Di Huang	åœ°é»„
TCMH453	Rehmannia glutinosa	Di Huang Tan	åœ°é»„ç‚
TCMH643	Rehmannia glutinosa	Gan Di Huang	å¹²åœ°é»„
TCMH147	Glehnia littoralis	Bei Sha Shen	åŒ—æ²™å‚
TCMH1423	Ophiopogon japonicus	Mai Dong	éº¦å†¬
TCMH1424	Ophiopogon japonicus	Mai Dong Men	éº¦å†¬é—¨
TCMH1425	Ophiopogon japonicus	Mai Dong Rou	éº¦å†¬è‚‰
TCMH2469	Fritillaria pallidiflora	Yi Bei Mu	ä¼Šè´æ¯
TCMH2703	Fritillaria unibracteata	Zi Bei Mu	ç´«è´æ¯
TCMH2137	Pogostemon cablin	Tu Huo Xiang	åœŸè—¿é¦™
TCMH2710	Homo sapiens	Zi He Che	ç´«æ²³è½¦
TCMH2309	Allium macrostemon	Xie Bai	è–¤ç™½
TCMH2090	Gastrodia elata	Tian Ma	å¤©éº»
TCMH2293	Phaseolus vulgaris	Xiao Hei Dou	å°é»‘è±†
TCMH2261	Fritillaria thunbergii	Xiang Bei	è±¡è´
TCMH2414	Allium cepa	Yang Cong Tou	æ´‹è‘±å¤´
TCMH2086	Trichosanthes kirilowii	Tian Hua Fen	å¤©èŠ±ç²‰
TCMH2376	Corydalis yanhusuo	Yan Hu Suo	å»¶èƒ¡ç´¢
TCMH2297	Cirsium setosum	Xiao Ji	å°è“Ÿ
TCMH2590	Pinellia pedatisecta	Zhang Ye Ban Xia	æŽŒå¶åŠå¤
TCMH2356	Daemonorops draco	Xue Xie	è¡€èŽ
TCMH2553	Scrophularia ningpoensis	Yuan Shen	å…ƒå‚
TCMH2413	Allium cepa	Yang Cong	æ´‹è‘±
TCMH2343	Scrophularia ningpoensis	Xuan Shen	çŽ„å‚

Ingredient ID: TCMC4004
Formula: C6H12S

Common Name	3-[(1-Methylethyl)Thio]-1-Propene
IUPAC Name	2-prop-2-enylsulfanylpropane
Canonical SMILES	C=CCSC(C)C
Standard InCHI	InChI=1S/C6H12S/c1-4-5-7-6(2)3/h4,6H,1,5H2,2-3H3
Standard InCHIKey	OJBPXSILEFOOQD-UHFFFAOYSA-N
External Identifiers	ChEMBL [N/A]; PubChem [521309];
Reference of Component-Ingredient Pair	29606759

Occurrence of the ingredient across TCM components

Component ID	Latin Name	Pinyin Name	Chinese Name
TCMH2309	Allium macrostemon	Xie Bai	è–¤ç™½

Ingredient ID: TCMC3415
Formula: C6H14S2

Common Name	Propyl Isopropyl Disulfide
IUPAC Name	1-(propan-2-yldisulfanyl)propane
Canonical SMILES	CCCSSC(C)C
Standard InCHI	InChI=1S/C6H14S2/c1-4-5-7-8-6(2)3/h6H,4-5H2,1-3H3
Standard InCHIKey	YCBVTHJPQCNICU-UHFFFAOYSA-N
External Identifiers	ChEMBL [N/A]; PubChem [118529];
Reference of Component-Ingredient Pair	27056828

Occurrence of the ingredient across TCM components

Component ID	Latin Name	Pinyin Name	Chinese Name
TCMH2309	Allium macrostemon	Xie Bai	è–¤ç™½

Ingredient ID: TCMC3199
Formula: C4H8S3

Common Name	Allyl Methyl Trisulfide
IUPAC Name	3-(methyltrisulfanyl)prop-1-ene
Canonical SMILES	CSSSCC=C
Standard InCHI	InChI=1S/C4H8S3/c1-3-4-6-7-5-2/h3H,1,4H2,2H3
Standard InCHIKey	JGMPRNFEEAJLAJ-UHFFFAOYSA-N
External Identifiers	ChEMBL [N/A]; PubChem [61926];
Reference of Component-Ingredient Pair	27056828

Occurrence of the ingredient across TCM components

Component ID	Latin Name	Pinyin Name	Chinese Name
TCMH382	Allium sativum	Da Suan	å¤§è’œ
TCMH2309	Allium macrostemon	Xie Bai	è–¤ç™½

Ingredient ID: TCMC284
Formula: C10H16

Common Name	1-Methyl-4-Prop-1-En-2-Ylcyclohexene
IUPAC Name	1-methyl-4-prop-1-en-2-ylcyclohexene
Canonical SMILES	CC1=CCC(CC1)C(=C)C
Standard InCHI	InChI=1S/C10H16/c1-8(2)10-6-4-9(3)5-7-10/h4,10H,1,5-7H2,2-3H3
Standard InCHIKey	XMGQYMWWDOXHJM-UHFFFAOYSA-N
External Identifiers	ChEMBL [CHEMBL15799]; PubChem [22311];
Reference of Component-Ingredient Pair	23449869

Occurrence of the ingredient across TCM components

Component ID	Latin Name	Pinyin Name	Chinese Name
TCMH211	Atractylodes lancea	Cang Zhu	è‹æœ¯
TCMH907	Piper nigrum	Hu Jiao	èƒ¡æ¤’
TCMH1063	Curcuma longa	Jiang Huang	å§œé»„
TCMH924	Zanthoxylum bungeanum	Hua Jiao	èŠ±æ¤’
TCMH265	Laggera pterodonta	Chu Ling Dan Cao	è‡çµä¸¹è‰
TCMH1753	Boswellia carterii	Ru Xiang	ä¹³é¦™
TCMH1348	Liquidambar formosana	Lu Lu Tong	è·¯è·¯é€š
TCMH1165	Murraya paniculata	Jiu Li Xiang	ä¹é‡Œé¦™
TCMH1186	Lycium chinense	Gou Qi Zi	æž¸æžå
TCMH120	Atractylodes macrocephala	Bai Zhu	ç™½æœ¯
TCMH317	Capsella bursa-pastoris	Ci Cai	è èœ
TCMH1343	Aloe vera	Lu Hui	èŠ¦èŸ
TCMH1141	Schizonepeta tenuifolia	Jing Jie	è†èŠ¥
TCMH1212	Melia azedarach	Ku Lian Zi	è‹¦æ¥å
TCMH1336	Pandanus tectorius	Lu Dou	éœ²å…œ
TCMH1825	Litsea cubeba	Shan Jiang Zi	å±±å§œå
TCMH1894	Pinellia ternata	Sheng Ban Xia	ç”ŸåŠå¤
TCMH1872	Cnidium monnieri	She Ma Zi	è›‡éº»å
TCMH108	Perilla frutescens	Bai Su Zi	ç™½è‹å
TCMH422	Angelica sinensis	Dang Gui Gan Jin Gao	å½“å½’å¹²æµ¸è†
TCMH1839	Panax ginseng	Shan Shen	å±±å‚
TCMH685	Syzygium aromaticum	Gong Ding Xiang	å…¬ä¸é¦™
TCMH619	Citrus medica var. sarcodactylis	Fo Shou	ä½›æ‰‹
TCMH1665	Notopterygium incisum	Qiang Huo	ç¾Œæ´»
TCMH670	Ligusticum sinense	Gao Ben	è—æœ¬
TCMH970	Vitex negundo	Huang Jing Zi	é»„è†å
TCMH223	Platycladus orientalis	Ce Bai Tan	ä¾§æŸç‚
TCMH1000	Foeniculum vulgare	Hui Xiang	èŒ´é¦™
TCMH1903	Zingiber officinale	Sheng Jiang	ç”Ÿå§œ
TCMH447	Illicium difengpi	Di Feng Pi	åœ°æž«çš®
TCMH502	Rabdosia rubescens	Dong Ling Cao	å†¬å‡Œè‰
TCMH1531	Akebia quinata	Mu Tong	æœ¨é€š
TCMH148	Glehnia littoralis	Bei Sha Shen Liu Jin Gao	åŒ—æ²™å‚æµæµ¸è†
TCMH1272	Forsythia suspensa	Lian Qiao	è¿žç¿˜
TCMH160	Piper cubeba	Bi Cheng Qie	æ¯•æ¾„èŒ„
TCMH1741	Myristica fragrans	Rou Dou Kou	è‚‰è±†è”»
TCMH1804	Amomum villosum	Sha Ren Ye	ç ‚ä»å¶
TCMH1184	Citrus reticulata	Ju Pi	æ©˜çš®
TCMH1777	Panax notoginseng	San Qi Ye Jing	ä¸‰ä¸ƒå¶èŒŽ
TCMH191	Mentha haplocalyx	Bo He You	è–„è·æ²¹
TCMH1846	Artemisia capillaris	Shan Yin Chen	å±±èŒµé™ˆ
TCMH1803	Amomum villosum	Sha Ren	ç ‚ä»
TCMH421	Angelica sinensis	Dang Gui	å½“å½’
TCMH1866	Cnidium monnieri	She Chuang Zi	è›‡åºŠå
TCMH1225	Valeriana officinalis	Kuan Ye Xie Cao	å®½å¶ç¼¬è‰
TCMH1185	Lycium chinense	Gou Qi	æž¸æž
TCMH1734	Homo sapiens	Ren Zhong Bai	äººä¸ç™½
TCMH592	Liquidambar formosana	Feng Xiang Ye	æž«é¦™å¶
TCMH594	Liquidambar formosana	Feng Xiang Zhi Chou Gao	æž«é¦™è„‚ç¨ è†
TCMH310	Melia azedarach	Chuan Lian	å·æ¥
TCMH1211	Melia azedarach	Ku Lian Pi	è‹¦æ¥çš®
TCMH130	Pinellia ternata	Ban Xia	åŠå¤
TCMH131	Pinellia ternata	Ban Xia Qu	åŠå¤æ›²
TCMH1677	Pinellia ternata	Qing Ban Xia	æ¸…åŠå¤
TCMH1943	Punica granatum	Shi Liu	çŸ³æ¦´
TCMH1944	Punica granatum	Shi Liu Pi	çŸ³æ¦´çš®
TCMH1945	Punica granatum	Shi Liu Zi	çŸ³æ¦´å
TCMH1770	Panax notoginseng	San Qi Gan Jin Gao	ä¸‰ä¸ƒå¹²æµ¸è†
TCMH1771	Panax notoginseng	San Qi Gao Fen	ä¸‰ä¸ƒè†ç²‰
TCMH1772	Panax notoginseng	San Qi Hua	ä¸‰ä¸ƒèŠ±
TCMH1774	Panax notoginseng	San Qi Jing Ye	ä¸‰ä¸ƒèŒŽå¶
TCMH1776	Panax notoginseng	San Qi Ye	ä¸‰ä¸ƒå¶
TCMH309	Curcuma longa	Chuan Yu Jin	å·éƒé‡‘
TCMH1178	Citrus reticulata	Ju He	æ©˜æ ¸
TCMH264	Laggera pterodonta	Chu Ling Dan	è‡çµä¸¹
TCMH64	Piper nigrum	Bai Hu Jiao	ç™½èƒ¡æ¤’
TCMH839	Piper nigrum	Hei Hu Jiao	é»‘èƒ¡æ¤’
TCMH511	Litsea cubeba	Dou Chi Jiang	è±†è±‰å§œ
TCMH1812	Litsea cubeba	Shan Cang Zi	å±±è‹å
TCMH1721	Panax ginseng	Ren Shen	äººå‚
TCMH1728	Panax ginseng	Ren Shen Ye	äººå‚å¶
TCMH228	Bupleurum chinense	Chai Hu	æŸ´èƒ¡
TCMH229	Bupleurum chinense	Chai Hu Jin Gao	æŸ´èƒ¡æµ¸è†
TCMH230	Bupleurum chinense	Chai Hu Shao	æŸ´èƒ¡æ¢¢
TCMH292	Notopterygium incisum	Chuan Qiang Huo	å·ç¾Œæ´»
TCMH188	Mentha haplocalyx	Bo He	è–„è·
TCMH486	Syzygium aromaticum	Ding Xiang	ä¸é¦™
TCMH253	Citrus aurantium	Cheng Pi	æ©™çš®
TCMH147	Glehnia littoralis	Bei Sha Shen	åŒ—æ²™å‚
TCMH2407	Bupleurum chinense	Yan Tai Chai Hu	çƒŸå°æŸ´èƒ¡
TCMH2630	Citrus aurantium	Zhi Shi	æž³å®ž
TCMH2495	Artemisia capillaris	Yin Chen Hao Gan Jin Gao	èŒµé™ˆè’¿å¹²æµ¸è†
TCMH2144	Inula helenium	Tu Mu Xiang	åœŸæœ¨é¦™
TCMH2640	Valeriana jatamansii	Zhi Zhu Xiang	èœ˜è››é¦™
TCMH2265	Cyperus rotundus	Xiang Fu	é¦™é™„
TCMH2710	Homo sapiens	Zi He Che	ç´«æ²³è½¦
TCMH2050	Punica granatum	Suan Shi Liu	é…¸çŸ³æ¦´
TCMH2309	Allium macrostemon	Xie Bai	è–¤ç™½
TCMH2239	Asarum sieboldii	Xi Xin	ç»†è¾›
TCMH2206	Schisandra chinensis	Wu Wei Zi Liu Jin Gao	äº”å‘³åæµæµ¸è†
TCMH2545	Houttuynia cordata	Yu Xing Cao	é±¼è…¥è‰
TCMH2698	Valeriana officinalis	Zhua Di Hu	æŠ“åœ°è™Ž
TCMH2216	Evodia rutaecarpa	Wu Zhu Yu	å´èŒ±è¸
TCMH2282	Citrus medica	Xiang Yuan Pi	é¦™æ©¼çš®
TCMH2154	Artemisia capillaris	Tu Yin Chen Hao	åœŸèŒµé™ˆè’¿
TCMH2494	Artemisia capillaris	Yin Chen Hao	èŒµé™ˆè’¿
TCMH2281	Citrus medica	Xiang Yuan	é¦™æ©¼
TCMH2310	Valeriana officinalis	Xie Cao	ç¼¬è‰
TCMH2613	Citrus aurantium	Zhi Geng	æž³æ¢—
TCMH2618	Citrus aurantium	Zhi Ke	æž³å£³
TCMH2619	Citrus aurantium	Zhi Ke Gan Jin Gao	æž³å£³å¹²æµ¸è†
TCMH2202	Schisandra chinensis	Wu Wei Zi	äº”å‘³å
TCMH2203	Schisandra chinensis	Wu Wei Zi Chun Jin Gao	äº”å‘³åé†‡æµ¸è†
TCMH2204	Schisandra chinensis	Wu Wei Zi Jin Chu Wu	äº”å‘³åæµ¸å‡ºç‰©
TCMH2205	Schisandra chinensis	Wu Wei Zi Jin Gao	äº”å‘³åæµ¸è†

Ingredient ID: TCMC2490
Formula: C23H20O6

Common Name	Dehydrodeguelin
IUPAC Name	n.a.
Canonical SMILES	COc1cc2c(cc1OC)OCc1c2c(=O)c2c(o1)c1C=CC(Oc1cc2)(C)C
Standard InCHI	InChI=1S/C23H20O6/c1-23(2)8-7-12-15(29-23)6-5-13-21(24)20-14-9-17(25-3)18(26-4)10-16(14)27-11-19(20)28-22(12)13/h5-10H,11H2,1-4H3
Standard InCHIKey	NGQVFILFHVPLFE-UHFFFAOYSA-N
External Identifiers	ChEMBL [CHEMBL465673]; PubChem [3083803];
Reference of Component-Ingredient Pair	N/A

Occurrence of the ingredient across TCM components

Component ID	Latin Name	Pinyin Name	Chinese Name
TCMH2006	Geum japonicum	Shui Yang Mei Gen	æ°´æ¨æ¢…æ ¹
TCMH1063	Curcuma longa	Jiang Huang	å§œé»„
TCMH309	Curcuma longa	Chuan Yu Jin	å·éƒé‡‘
TCMH2005	Geum japonicum	Shui Yang Mei	æ°´æ¨æ¢…
TCMH2332	Spiraea japonica	Xiu Xian Ju	ç»£çº¿èŠ
TCMH2309	Allium macrostemon	Xie Bai	è–¤ç™½

Ingredient ID: TCMC2324
Formula: C10H16

Common Name	Limonene
IUPAC Name	(4R)-1-methyl-4-prop-1-en-2-ylcyclohexene
Canonical SMILES	CC1=CC[C@@H](CC1)C(=C)C
Standard InCHI	InChI=1S/C10H16/c1-8(2)10-6-4-9(3)5-7-10/h4,10H,1,5-7H2,2-3H3/t10-/m0/s1
Standard InCHIKey	XMGQYMWWDOXHJM-JTQLQIEISA-N
External Identifiers	ChEMBL [CHEMBL449062]; PubChem [440917];
Reference of Component-Ingredient Pair	22945026

Occurrence of the ingredient across TCM components

Component ID	Latin Name	Pinyin Name	Chinese Name
TCMH211	Atractylodes lancea	Cang Zhu	è‹æœ¯
TCMH907	Piper nigrum	Hu Jiao	èƒ¡æ¤’
TCMH1063	Curcuma longa	Jiang Huang	å§œé»„
TCMH924	Zanthoxylum bungeanum	Hua Jiao	èŠ±æ¤’
TCMH265	Laggera pterodonta	Chu Ling Dan Cao	è‡çµä¸¹è‰
TCMH1753	Boswellia carterii	Ru Xiang	ä¹³é¦™
TCMH1348	Liquidambar formosana	Lu Lu Tong	è·¯è·¯é€š
TCMH1165	Murraya paniculata	Jiu Li Xiang	ä¹é‡Œé¦™
TCMH123	Pteris semipinnata	Ban Bian Qi	åŠè¾¹æ——
TCMH1186	Lycium chinense	Gou Qi Zi	æž¸æžå
TCMH120	Atractylodes macrocephala	Bai Zhu	ç™½æœ¯
TCMH2003	Kyllinga brevifolia	Shui Wu Gong	æ°´èœˆèš£
TCMH1343	Aloe vera	Lu Hui	èŠ¦èŸ
TCMH1141	Schizonepeta tenuifolia	Jing Jie	è†èŠ¥
TCMH1212	Melia azedarach	Ku Lian Zi	è‹¦æ¥å
TCMH1336	Pandanus tectorius	Lu Dou	éœ²å…œ
TCMH1825	Litsea cubeba	Shan Jiang Zi	å±±å§œå
TCMH1469	Flos mume	Mei Hua	æ¢…èŠ±
TCMH1894	Pinellia ternata	Sheng Ban Xia	ç”ŸåŠå¤
TCMH1872	Cnidium monnieri	She Ma Zi	è›‡éº»å
TCMH108	Perilla frutescens	Bai Su Zi	ç™½è‹å
TCMH428	Codonopsis pilosula	Dang Shen Qing Gao	å…šå‚æ¸…è†
TCMH422	Angelica sinensis	Dang Gui Gan Jin Gao	å½“å½’å¹²æµ¸è†
TCMH1839	Panax ginseng	Shan Shen	å±±å‚
TCMH685	Syzygium aromaticum	Gong Ding Xiang	å…¬ä¸é¦™
TCMH1611	Rhizoma curcumae	Peng E Zhu	è“¬èŽªæœ¯
TCMH619	Citrus medica var. sarcodactylis	Fo Shou	ä½›æ‰‹
TCMH1665	Notopterygium incisum	Qiang Huo	ç¾Œæ´»
TCMH670	Ligusticum sinense	Gao Ben	è—æœ¬
TCMH970	Vitex negundo	Huang Jing Zi	é»„è†å
TCMH223	Platycladus orientalis	Ce Bai Tan	ä¾§æŸç‚
TCMH1622	Scutellaria baicalensis	Pian Qin	ç‰‡èŠ©
TCMH1000	Foeniculum vulgare	Hui Xiang	èŒ´é¦™
TCMH500	Benincasa hispida	Dong Gua Zi	å†¬ç“œå
TCMH1903	Zingiber officinale	Sheng Jiang	ç”Ÿå§œ
TCMH447	Illicium difengpi	Di Feng Pi	åœ°æž«çš®
TCMH502	Rabdosia rubescens	Dong Ling Cao	å†¬å‡Œè‰
TCMH1531	Akebia quinata	Mu Tong	æœ¨é€š
TCMH148	Glehnia littoralis	Bei Sha Shen Liu Jin Gao	åŒ—æ²™å‚æµæµ¸è†
TCMH71	Oldenlandia diffusa	Bai Hua She She Cao	ç™½èŠ±è›‡èˆŒè‰
TCMH1272	Forsythia suspensa	Lian Qiao	è¿žç¿˜
TCMH160	Piper cubeba	Bi Cheng Qie	æ¯•æ¾„èŒ„
TCMH132	Scutellaria barbata	Ban Zhi Lian	åŠæžèŽ²
TCMH203	Acorus calamus	Cang Chang Pu	è—è–è’²
TCMH1741	Myristica fragrans	Rou Dou Kou	è‚‰è±†è”»
TCMH1804	Amomum villosum	Sha Ren Ye	ç ‚ä»å¶
TCMH1184	Citrus reticulata	Ju Pi	æ©˜çš®
TCMH892	Hericium erinaceus	Hou Tou Jun	çŒ´å¤´èŒ
TCMH1142	Schizonepetae spica	Jing Jie Sui	è†èŠ¥ç©—
TCMH13	Artemisia argyi	Ai Ye You	è‰¾å¶æ²¹
TCMH1777	Panax notoginseng	San Qi Ye Jing	ä¸‰ä¸ƒå¶èŒŽ
TCMH191	Mentha haplocalyx	Bo He You	è–„è·æ²¹
TCMH1846	Artemisia capillaris	Shan Yin Chen	å±±èŒµé™ˆ
TCMH1803	Amomum villosum	Sha Ren	ç ‚ä»
TCMH421	Angelica sinensis	Dang Gui	å½“å½’
TCMH1866	Cnidium monnieri	She Chuang Zi	è›‡åºŠå
TCMH1810	Semen astragali complanati	Sha Yuan Ji Li	æ²™è‹‘è’ºè—œ
TCMH1811	Semen astragali complanati	Sha Yuan Zi	æ²™è‹‘å
TCMH426	Codonopsis pilosula	Dang Shen	å…šå‚
TCMH498	Benincasa hispida	Dong Gua Pi	å†¬ç“œçš®
TCMH1185	Lycium chinense	Gou Qi	æž¸æž
TCMH1734	Homo sapiens	Ren Zhong Bai	äººä¸ç™½
TCMH592	Liquidambar formosana	Feng Xiang Ye	æž«é¦™å¶
TCMH594	Liquidambar formosana	Feng Xiang Zhi Chou Gao	æž«é¦™è„‚ç¨ è†
TCMH310	Melia azedarach	Chuan Lian	å·æ¥
TCMH1211	Melia azedarach	Ku Lian Pi	è‹¦æ¥çš®
TCMH130	Pinellia ternata	Ban Xia	åŠå¤
TCMH131	Pinellia ternata	Ban Xia Qu	åŠå¤æ›²
TCMH1677	Pinellia ternata	Qing Ban Xia	æ¸…åŠå¤
TCMH544	Curcuma aeruginosa	E Zhu	èŽªæœ¯
TCMH740	Rhizoma curcumae	Guang Xi E Zhu	å¹¿è¥¿èŽªæœ¯
TCMH1943	Punica granatum	Shi Liu	çŸ³æ¦´
TCMH1944	Punica granatum	Shi Liu Pi	çŸ³æ¦´çš®
TCMH1945	Punica granatum	Shi Liu Zi	çŸ³æ¦´å
TCMH1770	Panax notoginseng	San Qi Gan Jin Gao	ä¸‰ä¸ƒå¹²æµ¸è†
TCMH1771	Panax notoginseng	San Qi Gao Fen	ä¸‰ä¸ƒè†ç²‰
TCMH1772	Panax notoginseng	San Qi Hua	ä¸‰ä¸ƒèŠ±
TCMH1774	Panax notoginseng	San Qi Jing Ye	ä¸‰ä¸ƒèŒŽå¶
TCMH1776	Panax notoginseng	San Qi Ye	ä¸‰ä¸ƒå¶
TCMH309	Curcuma longa	Chuan Yu Jin	å·éƒé‡‘
TCMH1178	Citrus reticulata	Ju He	æ©˜æ ¸
TCMH12	Artemisia argyi	Ai Ye	è‰¾å¶
TCMH557	Aster tataricus	Fan Hun Cao	è¿”é‚è‰
TCMH939	Aster tataricus	Huai Hun Cao	è¿˜é‚è‰
TCMH1490	Aster tataricus	Mi Zi Wan	èœœç´«è€
TCMH264	Laggera pterodonta	Chu Ling Dan	è‡çµä¸¹
TCMH986	Scutellaria baicalensis	Huang Qin	é»„èŠ©
TCMH989	Scutellaria baicalensis	Huang Qin Jin Gao	é»„èŠ©æµ¸è†
TCMH990	Scutellaria baicalensis	Huang Qin Jin Gao Fen	é»„èŠ©æµ¸è†ç²‰
TCMH992	Scutellaria baicalensis	Huang Qin Tan	é»„èŠ©ç‚
TCMH64	Piper nigrum	Bai Hu Jiao	ç™½èƒ¡æ¤’
TCMH839	Piper nigrum	Hei Hu Jiao	é»‘èƒ¡æ¤’
TCMH511	Litsea cubeba	Dou Chi Jiang	è±†è±‰å§œ
TCMH1812	Litsea cubeba	Shan Cang Zi	å±±è‹å
TCMH1721	Panax ginseng	Ren Shen	äººå‚
TCMH1728	Panax ginseng	Ren Shen Ye	äººå‚å¶
TCMH228	Bupleurum chinense	Chai Hu	æŸ´èƒ¡
TCMH229	Bupleurum chinense	Chai Hu Jin Gao	æŸ´èƒ¡æµ¸è†
TCMH230	Bupleurum chinense	Chai Hu Shao	æŸ´èƒ¡æ¢¢
TCMH292	Notopterygium incisum	Chuan Qiang Huo	å·ç¾Œæ´»
TCMH188	Mentha haplocalyx	Bo He	è–„è·
TCMH486	Syzygium aromaticum	Ding Xiang	ä¸é¦™
TCMH253	Citrus aurantium	Cheng Pi	æ©™çš®
TCMH147	Glehnia littoralis	Bei Sha Shen	åŒ—æ²™å‚
TCMH2595	Rhododendron micranthum	Zhao Shan Bai	ç…§å±±ç™½
TCMH2407	Bupleurum chinense	Yan Tai Chai Hu	çƒŸå°æŸ´èƒ¡
TCMH2039	Caulis perillae frutescentis	Su Geng	è‹æ¢—
TCMH2630	Citrus aurantium	Zhi Shi	æž³å®ž
TCMH2026	Lignum pini nodi	Song Jie	æ¾èŠ‚
TCMH2495	Artemisia capillaris	Yin Chen Hao Gan Jin Gao	èŒµé™ˆè’¿å¹²æµ¸è†
TCMH2201	Securidaca inappendiculata	Wu Wei Teng	äº”å‘³è—¤
TCMH2144	Inula helenium	Tu Mu Xiang	åœŸæœ¨é¦™
TCMH2640	Valeriana jatamansii	Zhi Zhu Xiang	èœ˜è››é¦™
TCMH2150	Cuscuta australis	Tu Si Zi Teng	èŸä¸åè—¤
TCMH2265	Cyperus rotundus	Xiang Fu	é¦™é™„
TCMH2710	Homo sapiens	Zi He Che	ç´«æ²³è½¦
TCMH2050	Punica granatum	Suan Shi Liu	é…¸çŸ³æ¦´
TCMH2309	Allium macrostemon	Xie Bai	è–¤ç™½
TCMH2728	Aster tataricus	Zi Wan	ç´«è€
TCMH2239	Asarum sieboldii	Xi Xin	ç»†è¾›
TCMH2129	Eupolyphaga sinensis	Tu Bie Chong	åœŸé³–è™«
TCMH2200	Firmiana simplex	Wu Tong Ye Jin Gao	æ¢§æ¡å¶æµ¸è†
TCMH2651	Elsholtzia splendens	Zhou Ye Xiang Ru	çš±å¶é¦™è–·
TCMH2206	Schisandra chinensis	Wu Wei Zi Liu Jin Gao	äº”å‘³åæµæµ¸è†
TCMH2545	Houttuynia cordata	Yu Xing Cao	é±¼è…¥è‰
TCMH2066	Santalum album	Tan Xiang	æª€é¦™
TCMH2101	Eupatorium rebaudianum	Tian Ye Ju	ç”œå¶èŠ
TCMH2216	Evodia rutaecarpa	Wu Zhu Yu	å´èŒ±è¸
TCMH2121	Semen astragali complanati	Tong Ji Li	æ½¼è’ºè—œ
TCMH2722	Perilla frutescens var. arguta	Zi Su Ye	ç´«è‹å¶
TCMH2282	Citrus medica	Xiang Yuan Pi	é¦™æ©¼çš®
TCMH2213	Ipomoea cairica	Wu Zhao Long	äº”çˆªé¾™
TCMH2211	Artemisia princeps	Wu Yue Ai	äº”æœˆè‰¾
TCMH2154	Artemisia capillaris	Tu Yin Chen Hao	åœŸèŒµé™ˆè’¿
TCMH2494	Artemisia capillaris	Yin Chen Hao	èŒµé™ˆè’¿
TCMH2281	Citrus medica	Xiang Yuan	é¦™æ©¼
TCMH2276	Elsholtzia splendens	Xiang Ru	é¦™è–·
TCMH2148	Cuscuta australis	Tu Si Rou	èŸä¸è‚‰
TCMH2149	Cuscuta australis	Tu Si Zi	èŸä¸å
TCMH2613	Citrus aurantium	Zhi Geng	æž³æ¢—
TCMH2618	Citrus aurantium	Zhi Ke	æž³å£³
TCMH2619	Citrus aurantium	Zhi Ke Gan Jin Gao	æž³å£³å¹²æµ¸è†
TCMH2202	Schisandra chinensis	Wu Wei Zi	äº”å‘³å
TCMH2203	Schisandra chinensis	Wu Wei Zi Chun Jin Gao	äº”å‘³åé†‡æµ¸è†
TCMH2204	Schisandra chinensis	Wu Wei Zi Jin Chu Wu	äº”å‘³åæµ¸å‡ºç‰©
TCMH2205	Schisandra chinensis	Wu Wei Zi Jin Gao	äº”å‘³åæµ¸è†
TCMH2721	Perilla frutescens var. arguta	Zi Su Geng	ç´«è‹æ¢—

Ingredient ID: TCMC232
Formula: C12H12N2O2

Common Name	1,2,3,4-Tetrahydro-Beta-Carboline-3-Carboxylic Acid
IUPAC Name	2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole-3-carboxylic acid
Canonical SMILES	OC(=O)C1NCc2c(C1)c1ccccc1[nH]2
Standard InCHI	InChI=1S/C12H12N2O2/c15-12(16)10-5-8-7-3-1-2-4-9(7)14-11(8)6-13-10/h1-4,10,13-14H,5-6H2,(H,15,16)
Standard InCHIKey	FSNCEEGOMTYXKY-UHFFFAOYSA-N
External Identifiers	ChEMBL [CHEMBL149177]; PubChem [98285];
Reference of Component-Ingredient Pair	N/A

Occurrence of the ingredient across TCM components

Component ID	Latin Name	Pinyin Name	Chinese Name
TCMH1184	Citrus reticulata	Ju Pi	æ©˜çš®
TCMH1734	Homo sapiens	Ren Zhong Bai	äººä¸ç™½
TCMH1178	Citrus reticulata	Ju He	æ©˜æ ¸
TCMH2710	Homo sapiens	Zi He Che	ç´«æ²³è½¦
TCMH2309	Allium macrostemon	Xie Bai	è–¤ç™½

Ingredient ID: TCMC2197
Formula: C11H12N2O2

Common Name	Tryptophan
IUPAC Name	(2S)-2-amino-3-(1H-indol-3-yl)propanoic acid
Canonical SMILES	OC(=O)[C@H](Cc1c[nH]c2c1cccc2)N
Standard InCHI	InChI=1S/C11H12N2O2/c12-9(11(14)15)5-7-6-13-10-4-2-1-3-8(7)10/h1-4,6,9,13H,5,12H2,(H,14,15)/t9-/m0/s1
Standard InCHIKey	QIVBCDIJIAJPQS-VIFPVBQESA-N
External Identifiers	ChEMBL [CHEMBL54976]; PubChem [6305];
Reference of Component-Ingredient Pair	N/A

Occurrence of the ingredient across TCM components

Component ID	Latin Name	Pinyin Name	Chinese Name
TCMH382	Allium sativum	Da Suan	å¤§è’œ
TCMH921	Polygonum cuspidatum	Hu Zhang	è™Žæ–
TCMH1538	Baphicacanthus cusia	Nan Ban Lan Gen Jin Gao Fen	å—æ¿è“æ ¹æµ¸è†ç²‰
TCMH1894	Pinellia ternata	Sheng Ban Xia	ç”ŸåŠå¤
TCMH108	Perilla frutescens	Bai Su Zi	ç™½è‹å
TCMH1601	Nelumbo nucifera	Ou Pian	è—•ç‰‡
TCMH1067	Glycine max	Jiang Tan	å§œç‚
TCMH1090	Brassica juncea	Jie Zi	èŠ¥å
TCMH1383	Onobrychis viciifolia	Lv Dou	ç»¿è±†
TCMH148	Glehnia littoralis	Bei Sha Shen Liu Jin Gao	åŒ—æ²™å‚æµæµ¸è†
TCMH1305	Laggera alata	Liu Ling Ju	å…æ£±èŠ
TCMH79	Sinapis alba	Bai Jie Zi	ç™½èŠ¥å
TCMH1512	Isatis indigotica	Mu Da Qing Ye	æœ¨å¤§é’å¶
TCMH1734	Homo sapiens	Ren Zhong Bai	äººä¸ç™½
TCMH130	Pinellia ternata	Ban Xia	åŠå¤
TCMH131	Pinellia ternata	Ban Xia Qu	åŠå¤æ›²
TCMH1677	Pinellia ternata	Qing Ban Xia	æ¸…åŠå¤
TCMH126	Isatis indigotica	Ban Lan	æ¿è“
TCMH127	Isatis indigotica	Ban Lan Gen	æ¿è“æ ¹
TCMH381	Isatis indigotica	Da Qing Ye	å¤§é’å¶
TCMH1510	Isatis indigotica	Mu Ban Lan Gen	æœ¨æ¿è“æ ¹
TCMH814	Nelumbo nucifera	He Geng	è·æ¢—
TCMH825	Nelumbo nucifera	He Ye	è·å¶
TCMH1275	Nelumbo nucifera	Lian Zi	èŽ²å
TCMH1276	Nelumbo nucifera	Lian Zi Xin	èŽ²åå¿ƒ
TCMH1598	Nelumbo nucifera	Ou	è—•
TCMH1599	Nelumbo nucifera	Ou Fen	è—•ç²‰
TCMH1537	Baphicacanthus cusia	Nan Ban Lan Gen	å—æ¿è“æ ¹
TCMH397	Glycine max	Dan Dou Gu	æ·¡è±†é¼“
TCMH416	Glycine max	Dan Xiang Chi	æ·¡é¦™è±‰
TCMH515	Glycine max	Dou You	è±†æ²¹
TCMH833	Glycine max	Hei Da Dou	é»‘å¤§è±†
TCMH1059	Glycine max	Jiang	å§œ
TCMH1062	Glycine max	Jiang Gao	å§œè†
TCMH147	Glehnia littoralis	Bei Sha Shen	åŒ—æ²™å‚
TCMH2710	Homo sapiens	Zi He Che	ç´«æ²³è½¦
TCMH2215	Ficus simplicissima	Wu Zhi Mao Tao	äº”æŒ‡æ¯›æ¡ƒ
TCMH2309	Allium macrostemon	Xie Bai	è–¤ç™½
TCMH2356	Daemonorops draco	Xue Xie	è¡€èŽ

Ingredient ID: TCMC2026
Formula: C23H22O6

Common Name	Rotenone
IUPAC Name	n.a.
Canonical SMILES	COc1cc2c(cc1OC)OC[C@@H]1[C@H]2C(=O)c2c(O1)c1C[C@@H](Oc1cc2)C(=C)C
Standard InCHI	InChI=1S/C23H22O6/c1-11(2)16-8-14-15(28-16)6-5-12-22(24)21-13-7-18(25-3)19(26-4)9-17(13)27-10-20(21)29-23(12)14/h5-7,9,16,20-21H,1,8,10H2,2-4H3/t16-,20-,21+/m1/s1
Standard InCHIKey	JUVIOZPCNVVQFO-HBGVWJBISA-N
External Identifiers	ChEMBL [CHEMBL429023]; PubChem [6758];
Reference of Component-Ingredient Pair	28728140

Occurrence of the ingredient across TCM components

Component ID	Latin Name	Pinyin Name	Chinese Name
TCMH1502	Agaricus campestris	Mo Gu	è˜‘è‡
TCMH2332	Spiraea japonica	Xiu Xian Ju	ç»£çº¿èŠ
TCMH2749	Oxalis corniculata	Cu Jiang Cao	é…¢æµ†è‰
TCMH2309	Allium macrostemon	Xie Bai	è–¤ç™½

Ingredient ID: TCMC1807
Formula: C5H10O5

Common Name	Oxane-2,3,4,5-Tetrol
IUPAC Name	oxane-2,3,4,5-tetrol
Canonical SMILES	OC1COC(C(C1O)O)O
Standard InCHI	InChI=1S/C5H10O5/c6-2-1-10-5(9)4(8)3(2)7/h2-9H,1H2
Standard InCHIKey	SRBFZHDQGSBBOR-UHFFFAOYSA-N
External Identifiers	ChEMBL [CHEMBL14343]; PubChem [229];
Reference of Component-Ingredient Pair	N/A

Occurrence of the ingredient across TCM components

Component ID	Latin Name	Pinyin Name	Chinese Name
TCMH1343	Aloe vera	Lu Hui	èŠ¦èŸ
TCMH2309	Allium macrostemon	Xie Bai	è–¤ç™½

Ingredient ID: TCMC1479
Formula: C6H12O5

Common Name	L-Fucose
IUPAC Name	(3S,4R,5S,6S)-6-methyloxane-2,3,4,5-tetrol
Canonical SMILES	O[C@@H]1[C@H](C)OC([C@H]([C@@H]1O)O)O
Standard InCHI	InChI=1S/C6H12O5/c1-2-3(7)4(8)5(9)6(10)11-2/h2-10H,1H3/t2-,3+,4+,5-,6?/m0/s1
Standard InCHIKey	SHZGCJCMOBCMKK-DHVFOXMCSA-N
External Identifiers	ChEMBL [CHEMBL469449]; PubChem [17106];
Reference of Component-Ingredient Pair	N/A

Occurrence of the ingredient across TCM components

Component ID	Latin Name	Pinyin Name	Chinese Name
TCMH793	Holothuria leucospilota	Hai Shen	æµ·å‚
TCMH1734	Homo sapiens	Ren Zhong Bai	äººä¸ç™½
TCMH519	Pogostemon cablin	Du Huo Xiang	æœè—¿é¦™
TCMH728	Pogostemon cablin	Guang Huo Xiang	å¹¿è—¿é¦™
TCMH1008	Pogostemon cablin	Huo Xiang	è—¿é¦™
TCMH1009	Pogostemon cablin	Huo Xiang Ye	è—¿é¦™å¶
TCMH2137	Pogostemon cablin	Tu Huo Xiang	åœŸè—¿é¦™
TCMH2710	Homo sapiens	Zi He Che	ç´«æ²³è½¦
TCMH2309	Allium macrostemon	Xie Bai	è–¤ç™½

Ingredient ID: TCMC1371
Formula: C16H10N2O2

Common Name	Indirubin
IUPAC Name	(3Z)-3-(3-oxo-1H-indol-2-ylidene)-1H-indol-2-one
Canonical SMILES	O=C1/C(=C2/C(=Nc3c2cccc3)O)/Nc2c1cccc2
Standard InCHI	InChI=1S/C16H10N2O2/c19-15-10-6-2-4-8-12(10)17-14(15)13-9-5-1-3-7-11(9)18-16(13)20/h1-8,17H,(H,18,20)/b14-13-
Standard InCHIKey	CRDNMYFJWFXOCH-YPKPFQOOSA-N
External Identifiers	ChEMBL [CHEMBL1276127]; PubChem [5318433];
Reference of Component-Ingredient Pair	23749163

Occurrence of the ingredient across TCM components

Component ID	Latin Name	Pinyin Name	Chinese Name
TCMH1512	Isatis indigotica	Mu Da Qing Ye	æœ¨å¤§é’å¶
TCMH126	Isatis indigotica	Ban Lan	æ¿è“
TCMH127	Isatis indigotica	Ban Lan Gen	æ¿è“æ ¹
TCMH381	Isatis indigotica	Da Qing Ye	å¤§é’å¶
TCMH1510	Isatis indigotica	Mu Ban Lan Gen	æœ¨æ¿è“æ ¹
TCMH2332	Spiraea japonica	Xiu Xian Ju	ç»£çº¿èŠ
TCMH2309	Allium macrostemon	Xie Bai	è–¤ç™½

Ingredient ID: TCMC1370
Formula: C16H10N2O2

Common Name	Indigo
IUPAC Name	(2E)-2-(3-oxo-1H-indol-2-ylidene)-1H-indol-3-one
Canonical SMILES	O=C1c2ccccc2N/C/1=C1/Nc2c(C1=O)cccc2
Standard InCHI	InChI=1S/C16H10N2O2/c19-15-9-5-1-3-7-11(9)17-13(15)14-16(20)10-6-2-4-8-12(10)18-14/h1-8,17-18H/b14-13+
Standard InCHIKey	COHYTHOBJLSHDF-BUHFOSPRSA-N
External Identifiers	ChEMBL [CHEMBL599552]; PubChem [5318432];
Reference of Component-Ingredient Pair	23749163

Occurrence of the ingredient across TCM components

Component ID	Latin Name	Pinyin Name	Chinese Name
TCMH1538	Baphicacanthus cusia	Nan Ban Lan Gen Jin Gao Fen	å—æ¿è“æ ¹æµ¸è†ç²‰
TCMH1678	Indigo naturalis	Qing Dai	é’é»›
TCMH1512	Isatis indigotica	Mu Da Qing Ye	æœ¨å¤§é’å¶
TCMH126	Isatis indigotica	Ban Lan	æ¿è“
TCMH127	Isatis indigotica	Ban Lan Gen	æ¿è“æ ¹
TCMH381	Isatis indigotica	Da Qing Ye	å¤§é’å¶
TCMH1510	Isatis indigotica	Mu Ban Lan Gen	æœ¨æ¿è“æ ¹
TCMH1537	Baphicacanthus cusia	Nan Ban Lan Gen	å—æ¿è“æ ¹
TCMH2332	Spiraea japonica	Xiu Xian Ju	ç»£çº¿èŠ
TCMH2309	Allium macrostemon	Xie Bai	è–¤ç™½

Ingredient ID: TCMC1269
Formula: C3H8O3

Common Name	Glycerin
IUPAC Name	propane-1,2,3-triol
Canonical SMILES	OCC(CO)O
Standard InCHI	InChI=1S/C3H8O3/c4-1-3(6)2-5/h3-6H,1-2H2
Standard InCHIKey	PEDCQBHIVMGVHV-UHFFFAOYSA-N
External Identifiers	ChEMBL [CHEMBL692]; PubChem [753];
Reference of Component-Ingredient Pair	22851446

Occurrence of the ingredient across TCM components

Component ID	Latin Name	Pinyin Name	Chinese Name
TCMH1343	Aloe vera	Lu Hui	èŠ¦èŸ
TCMH577	Nidus vespae	Feng Fang	èœ‚æˆ¿
TCMH1839	Panax ginseng	Shan Shen	å±±å‚
TCMH1518	Chaenomeles sinensis	Mu Gua	æœ¨ç“œ
TCMH1121	Cardiospermum halicacabum	Jin Si Ku Lian	é‡‘ä¸è‹¦æ¥
TCMH1118	Lygodium japonicum	Jin Sha Teng	é‡‘æ²™è—¤
TCMH668	Rhodomyrtus tomentosa	Gang Ren Zi	å²—ç¨”å
TCMH1734	Homo sapiens	Ren Zhong Bai	äººä¸ç™½
TCMH780	Lygodium japonicum	Hai Jin Sha	æµ·é‡‘ç ‚
TCMH781	Lygodium japonicum	Hai Jin Sha Cao	æµ·é‡‘æ²™è‰
TCMH782	Lygodium japonicum	Hai Jin Sha Teng	æµ·é‡‘æ²™è—¤
TCMH783	Lygodium japonicum	Hai Jin Sha Teng Gan Jin Gao	æµ·é‡‘æ²™è—¤å¹²æµ¸è†
TCMH1943	Punica granatum	Shi Liu	çŸ³æ¦´
TCMH1944	Punica granatum	Shi Liu Pi	çŸ³æ¦´çš®
TCMH1945	Punica granatum	Shi Liu Zi	çŸ³æ¦´å
TCMH1721	Panax ginseng	Ren Shen	äººå‚
TCMH1728	Panax ginseng	Ren Shen Ye	äººå‚å¶
TCMH228	Bupleurum chinense	Chai Hu	æŸ´èƒ¡
TCMH229	Bupleurum chinense	Chai Hu Jin Gao	æŸ´èƒ¡æµ¸è†
TCMH230	Bupleurum chinense	Chai Hu Shao	æŸ´èƒ¡æ¢¢
TCMH519	Pogostemon cablin	Du Huo Xiang	æœè—¿é¦™
TCMH728	Pogostemon cablin	Guang Huo Xiang	å¹¿è—¿é¦™
TCMH1008	Pogostemon cablin	Huo Xiang	è—¿é¦™
TCMH1009	Pogostemon cablin	Huo Xiang Ye	è—¿é¦™å¶
TCMH2407	Bupleurum chinense	Yan Tai Chai Hu	çƒŸå°æŸ´èƒ¡
TCMH2137	Pogostemon cablin	Tu Huo Xiang	åœŸè—¿é¦™
TCMH2072	Rhodomyrtus tomentosa	Tao Jin Niang Gen	æ¡ƒé‡‘å¨˜æ ¹
TCMH2710	Homo sapiens	Zi He Che	ç´«æ²³è½¦
TCMH2050	Punica granatum	Suan Shi Liu	é…¸çŸ³æ¦´
TCMH2309	Allium macrostemon	Xie Bai	è–¤ç™½

Ingredient ID: TCMC1088
Formula: C11H12N2O2

Common Name	D-Tryptophan
IUPAC Name	(2R)-2-azaniumyl-3-(1H-indol-3-yl)propanoate
Canonical SMILES	OC(=O)[C@@H](Cc1c[nH]c2c1cccc2)N
Standard InCHI	InChI=1S/C11H12N2O2/c12-9(11(14)15)5-7-6-13-10-4-2-1-3-8(7)10/h1-4,6,9,13H,5,12H2,(H,14,15)/t9-/m1/s1
Standard InCHIKey	QIVBCDIJIAJPQS-SECBINFHSA-N
External Identifiers	ChEMBL [CHEMBL292303]; PubChem [6923517];
Reference of Component-Ingredient Pair	N/A

Occurrence of the ingredient across TCM components

Component ID	Latin Name	Pinyin Name	Chinese Name
TCMH382	Allium sativum	Da Suan	å¤§è’œ
TCMH1894	Pinellia ternata	Sheng Ban Xia	ç”ŸåŠå¤
TCMH108	Perilla frutescens	Bai Su Zi	ç™½è‹å
TCMH1601	Nelumbo nucifera	Ou Pian	è—•ç‰‡
TCMH1067	Glycine max	Jiang Tan	å§œç‚
TCMH1090	Brassica juncea	Jie Zi	èŠ¥å
TCMH79	Sinapis alba	Bai Jie Zi	ç™½èŠ¥å
TCMH130	Pinellia ternata	Ban Xia	åŠå¤
TCMH131	Pinellia ternata	Ban Xia Qu	åŠå¤æ›²
TCMH1677	Pinellia ternata	Qing Ban Xia	æ¸…åŠå¤
TCMH814	Nelumbo nucifera	He Geng	è·æ¢—
TCMH825	Nelumbo nucifera	He Ye	è·å¶
TCMH1275	Nelumbo nucifera	Lian Zi	èŽ²å
TCMH1276	Nelumbo nucifera	Lian Zi Xin	èŽ²åå¿ƒ
TCMH1598	Nelumbo nucifera	Ou	è—•
TCMH1599	Nelumbo nucifera	Ou Fen	è—•ç²‰
TCMH397	Glycine max	Dan Dou Gu	æ·¡è±†é¼“
TCMH416	Glycine max	Dan Xiang Chi	æ·¡é¦™è±‰
TCMH515	Glycine max	Dou You	è±†æ²¹
TCMH833	Glycine max	Hei Da Dou	é»‘å¤§è±†
TCMH1059	Glycine max	Jiang	å§œ
TCMH1062	Glycine max	Jiang Gao	å§œè†
TCMH2309	Allium macrostemon	Xie Bai	è–¤ç™½

Ingredient ID: TCMC1077
Formula: C6H12O6

Common Name	D-Mannose
IUPAC Name	(3S,4S,5S,6R)-6-(hydroxymethyl)oxane-2,3,4,5-tetrol
Canonical SMILES	OC[C@H]1OC(O)[C@H]([C@H]([C@@H]1O)O)O
Standard InCHI	InChI=1S/C6H12O6/c7-1-2-3(8)4(9)5(10)6(11)12-2/h2-11H,1H2/t2-,3-,4+,5+,6?/m1/s1
Standard InCHIKey	WQZGKKKJIJFFOK-QTVWNMPRSA-N
External Identifiers	ChEMBL [CHEMBL469448]; PubChem [18950];
Reference of Component-Ingredient Pair	29968805

Occurrence of the ingredient across TCM components

Component ID	Latin Name	Pinyin Name	Chinese Name
TCMH1633	Taraxacum mongolicum	Pu Gong Ying Jin Gao	è’²å…¬è‹±æµ¸è†
TCMH1740	Cistanche deserticola	Rou Cong Rong	è‚‰è‹è“‰
TCMH1839	Panax ginseng	Shan Shen	å±±å‚
TCMH1734	Homo sapiens	Ren Zhong Bai	äººä¸ç™½
TCMH978	Taraxacum mongolicum	Huang Miao	é»„è‹—
TCMH1632	Taraxacum mongolicum	Pu Gong Ying	è’²å…¬è‹±
TCMH1721	Panax ginseng	Ren Shen	äººå‚
TCMH1728	Panax ginseng	Ren Shen Ye	äººå‚å¶
TCMH2710	Homo sapiens	Zi He Che	ç´«æ²³è½¦
TCMH2309	Allium macrostemon	Xie Bai	è–¤ç™½
TCMH2370	Commelina communis	Ya Zhi Cao	é¸è·–è‰

Ingredient ID: TCMC1028
Formula: C6H10S2

Common Name	Diallyldisulfide
IUPAC Name	3-(prop-2-enyldisulfanyl)prop-1-ene
Canonical SMILES	C=CCSSCC=C
Standard InCHI	InChI=1S/C6H10S2/c1-3-5-7-8-6-4-2/h3-4H,1-2,5-6H2
Standard InCHIKey	PFRGXCVKLLPLIP-UHFFFAOYSA-N
External Identifiers	ChEMBL [CHEMBL366603]; PubChem [16590];
Reference of Component-Ingredient Pair	22138247

Occurrence of the ingredient across TCM components

Component ID	Latin Name	Pinyin Name	Chinese Name
TCMH382	Allium sativum	Da Suan	å¤§è’œ
TCMH1791	Loranthus parasiticus	Sang Ji Sheng	æ¡‘å¯„ç”Ÿ
TCMH1176	Allium tuberosum	Jiu Zi	éŸå
TCMH1155	Allium tuberosum	Jiu Cai	éŸèœ
TCMH2309	Allium macrostemon	Xie Bai	è–¤ç™½
TCMH2414	Allium cepa	Yang Cong Tou	æ´‹è‘±å¤´
TCMH2413	Allium cepa	Yang Cong	æ´‹è‘±

Ingredient ID: TCMC1027
Formula: C6H10S

Common Name	Diallyl Sulfide
IUPAC Name	3-prop-2-enylsulfanylprop-1-ene
Canonical SMILES	C=CCSCC=C
Standard InCHI	InChI=1S/C6H10S/c1-3-5-7-6-4-2/h3-4H,1-2,5-6H2
Standard InCHIKey	UBJVUCKUDDKUJF-UHFFFAOYSA-N
External Identifiers	ChEMBL [CHEMBL170458]; PubChem [11617];
Reference of Component-Ingredient Pair	22429928

Occurrence of the ingredient across TCM components

Component ID	Latin Name	Pinyin Name	Chinese Name
TCMH334	Allium fistulosum	Cong Bai	è‘±ç™½
TCMH382	Allium sativum	Da Suan	å¤§è’œ
TCMH1791	Loranthus parasiticus	Sang Ji Sheng	æ¡‘å¯„ç”Ÿ
TCMH1734	Homo sapiens	Ren Zhong Bai	äººä¸ç™½
TCMH333	Bulbus allii fistulosi	Cong	è‘±
TCMH336	Bulbus allii fistulosi	Cong Tou	è‘±å¤´
TCMH2710	Homo sapiens	Zi He Che	ç´«æ²³è½¦
TCMH2309	Allium macrostemon	Xie Bai	è–¤ç™½
TCMH2018	Bulbus allii fistulosi	Si Ji Cong Tou	å››å£è‘±å¤´
TCMH2414	Allium cepa	Yang Cong Tou	æ´‹è‘±å¤´
TCMH2413	Allium cepa	Yang Cong	æ´‹è‘±

Ingredient ID: TCMC1001
Formula: C23H22O6

Common Name	Deguelin
IUPAC Name	n.a.
Canonical SMILES	COc1cc2c(cc1OC)OC[C@@H]1[C@H]2C(=O)c2c(O1)c1C=CC(Oc1cc2)(C)C
Standard InCHI	InChI=1S/C23H22O6/c1-23(2)8-7-12-15(29-23)6-5-13-21(24)20-14-9-17(25-3)18(26-4)10-16(14)27-11-19(20)28-22(12)13/h5-10,19-20H,11H2,1-4H3/t19-,20+/m1/s1
Standard InCHIKey	ORDAZKGHSNRHTD-UXHICEINSA-N
External Identifiers	ChEMBL [CHEMBL393417]; PubChem [107935];
Reference of Component-Ingredient Pair	N/A

Occurrence of the ingredient across TCM components

Component ID	Latin Name	Pinyin Name	Chinese Name
TCMH2332	Spiraea japonica	Xiu Xian Ju	ç»£çº¿èŠ
TCMH2309	Allium macrostemon	Xie Bai	è–¤ç™½

Properties

Ingredient ID	Formulae	Name	MW	AlogP	MlogP	XlogP	# HBA	# HBD	PSA	# Rotatable Bond	# Ring	# Heacy Atom	Lipinski RO5 Violation
TCMC232	C12H12N2O2	1,2,3,4-Tetrahydro-Beta-Carboline-3-Carboxylic Acid	216.09	-1.1637	2.34	1.46	4	3	65.12	2	3	16	0
TCMC284	C10H16	1-Methyl-4-Prop-1-En-2-Ylcyclohexene	136.13	2.1424	2.56	3.729	0	0	0	3	1	10	0
TCMC632	C10H13N5O4	Adenosine	267.1	-2.2791	1.57	-1.809	9	4	139.54	6	3	19	0
TCMC656	C6H10OS2	Allicin	162.02	1.5076	1.79	0.237	1	0	61.58	5	0	9	0
TCMC657	C6H10S3	Allitridin	177.99	3.21	1.79	2.521	0	0	75.9	6	0	9	0
TCMC662	C4H5NS	Allyl Isothiocyanate	99.01	0.7592	1.68	1.721	1	0	44.45	2	0	6	0
TCMC671	C10H16	Alpha-Pinene	136.13	1.5162	2.56	4.177	0	0	0	3	1	10	0
TCMC1001	C23H22O6	Deguelin	394.14	0.0487	3.33	2.551	1	0	63.22	6	5	29	0
TCMC1027	C6H10S	Diallyl Sulfide	114.05	2.0288	2.01	2.011	0	0	25.3	4	0	7	0
TCMC1028	C6H10S2	Diallyldisulfide	146.02	2.6194	1.9	2.266	0	0	50.6	5	0	8	0
TCMC1077	C6H12O6	D-Mannose	180.06	-2.5134	1.46	-1.697	6	5	110.38	6	1	12	0
TCMC1088	C11H12N2O2	D-Tryptophan	204.09	-1.5048	2.23	-0.96	4	3	79.11	5	2	15	0
TCMC1269	C3H8O3	Glycerin	92.05	-1.4081	1.46	-1.88	3	3	60.69	5	0	6	0
TCMC1370	C16H10N2O2	Indigo	262.07	-1.7942	2.78	4.628	4	2	58.2	0	4	20	0
TCMC1371	C16H10N2O2	Indirubin	262.07	-0.9404	2.78	4.524	4	2	61.69	1	4	20	0
TCMC1479	C6H12O5	L-Fucose	164.07	-2.0134	1.57	-0.994	5	4	90.15	5	1	11	0
TCMC1807	C5H10O5	Oxane-2,3,4,5-Tetrol	150.05	-2.0027	1.46	-1.454	5	4	90.15	4	1	10	0
TCMC2026	C23H22O6	Rotenone	394.14	0.1527	3.33	2.076	1	0	63.22	6	5	29	0
TCMC2197	C11H12N2O2	Tryptophan	204.09	-1.5048	2.23	-0.96	4	3	79.11	5	2	15	0
TCMC2324	C10H16	Limonene	136.13	2.1424	2.56	3.729	0	0	0	3	1	10	0
TCMC2490	C23H20O6	Dehydrodeguelin	392.13	0.0692	3.33	3.204	1	0	63.22	6	5	29	0
TCMC3199	C4H8S3	Allyl Methyl Trisulfide	151.9788133	2.5932	1.57	2.171	0	0	75.9	4	0	7	0
TCMC3415	C6H14S2	Propyl Isopropyl Disulfide	150.0536924	1.0083	1.9	2.937	0	0	50.6	4	0	8	0
TCMC4004	C6H12S	3-[(1-Methylethyl)Thio]-1-Propene	116.0659714	1.3619	2.01	2.316	0	0	25.3	3	0	7	0
TCMC6882	C24H48O2	21-Methyl Tricosanoic Acid	367.3576057	-5.6265	3.88	11.58	2	0	40.13	21	0	26	2
TCMC7203	C45H74O19	Macrostemonoside L	918.4824301	-4.6678	4.32	1.324	19	12	307.37	13	8	64	3
TCMC7235	C51H84O23	Macrostemonoside A	1064.540339	-6.6468	4.54	1.158	23	13	355.29	12	10	74	3
TCMC7335	C20H32O4	Prostaglandin A1	335.2222345	-3.0045	3.22	3.851	4	1	77.43	13	1	24	1

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Data Section	Select to Download
1. General Information of the Component
2. TCM Prescriptions with the Component
3. Putative Targets
4. Activity & References for Filtering Putative Targets
5. Ingredient Data & Chemical Structure Information (Properties, InChI, InChIkey, SMILES, etc.)

Component: Allium macrostemon è–¤ç™½

Description of the Component

Component ID

Latin Name

English Name

Chinese Pinyin Name

中文名

TCM Properties

TCM Meridians

Therapeutic Class English

Therapeutic Class Chinese

Functions

Toxicity

Geo-authentic habitats (道地产区)

Reference

Barcode ID

Barcode Source

TCM Prescriptions with the Component

Targeted Human Proteins by the Ingredient of Component

Targeted Pathogenic Microbes by the Ingredient of Component

Ingredient Structrues

Ingredient ID: TCMC7335

Occurrence of the ingredient across TCM components

Ingredient ID: TCMC7235

Occurrence of the ingredient across TCM components

Ingredient ID: TCMC7203

Occurrence of the ingredient across TCM components

Ingredient ID: TCMC6882

Occurrence of the ingredient across TCM components

Ingredient ID: TCMC671

Occurrence of the ingredient across TCM components

Ingredient ID: TCMC662

Occurrence of the ingredient across TCM components

Ingredient ID: TCMC657

Occurrence of the ingredient across TCM components

Ingredient ID: TCMC656

Occurrence of the ingredient across TCM components

Ingredient ID: TCMC632

Occurrence of the ingredient across TCM components

Ingredient ID: TCMC4004

Occurrence of the ingredient across TCM components

Ingredient ID: TCMC3415

Occurrence of the ingredient across TCM components

Ingredient ID: TCMC3199

Occurrence of the ingredient across TCM components

Ingredient ID: TCMC284

Occurrence of the ingredient across TCM components

Ingredient ID: TCMC2490

Occurrence of the ingredient across TCM components

Ingredient ID: TCMC2324

Occurrence of the ingredient across TCM components

Ingredient ID: TCMC232

Occurrence of the ingredient across TCM components

Ingredient ID: TCMC2197

Occurrence of the ingredient across TCM components

Ingredient ID: TCMC2026

Occurrence of the ingredient across TCM components

Ingredient ID: TCMC1807

Occurrence of the ingredient across TCM components

Ingredient ID: TCMC1479

Occurrence of the ingredient across TCM components

Ingredient ID: TCMC1371

Occurrence of the ingredient across TCM components

Ingredient ID: TCMC1370

Occurrence of the ingredient across TCM components

Ingredient ID: TCMC1269

Occurrence of the ingredient across TCM components

Ingredient ID: TCMC1088

Occurrence of the ingredient across TCM components

Ingredient ID: TCMC1077

Occurrence of the ingredient across TCM components

Ingredient ID: TCMC1028

Occurrence of the ingredient across TCM components

Ingredient ID: TCMC1027

Occurrence of the ingredient across TCM components

Ingredient ID: TCMC1001

Occurrence of the ingredient across TCM components

Properties

Download Data