TCM-ID Component

Description of the Component

Component ID	TCMH834
Latin Name	Semen glycine max
English Name	Black bean
Chinese Pinyin Name	Hei Dou
中文名	é»‘è±†
TCM Properties	Mild,Sweet
TCM Meridians	Spleen,Kidney
Therapeutic Class English
Therapeutic Class Chinese
Functions
Toxicity	NA
Geo-authentic habitats (道地产区)	NA
Reference	Chinese Pharmacopoeia (2015)
Barcode ID	ITSAJ4675-14
Barcode Source	BOLDSYSTEMS

TCM Prescriptions with the Component

Prescription ID	Prescription English Name	Prescription Chinese Name
TCMFx611	Bu Bai Granules	è¡¥ç™½é¢—ç²’
TCMF3963	Bu Shen Yang Xue Pills	è¡¥è‚¾å…»è¡€ä¸¸
TCMFx612	Bu Shen YangÂ XueÂ Pills	è¡¥è‚¾å…»è¡€ä¸¸
TCMFx2354	Decoction of Poria
TCMFx3731	Fo Shou Capsules	ç¦å¯¿èƒ¶å›Š
TCMFx28	Fu Fang Dian Ji Xue Teng Ointment	å¤æ–¹æ»‡é¸¡è¡€è—¤è†
TCMF3861	Fu Ke Hui Sheng Pills	å¦‡ç§‘å›žç”Ÿä¸¸
TCMFx3932	Fu Ke Wu Jin Pills	å¦‡ç§‘ä¹Œé‡‘ä¸¸
TCMF3599	Gan Shen An Syrup	è‚è‚¾å®‰ç³–æµ†
TCMF745	Gu Xian Tablet	éª¨ä»™ç‰‡
TCMF3532	Gu Xian Tablets	éª¨ä»™ç‰‡
TCMF4319	He Luo Shu Gan Capsules	å’Œç»œèˆ’è‚èƒ¶å›Š
TCMF4327	He Luo Shu Gan Tablets	å’Œç»œèˆ’è‚ç‰‡
TCMF4154	Jian Pi Bu Xue Infusion	å¥è„¾è¡¥è¡€å†²å‰‚
TCMFx4159	Jian Pi Bu Xue Tablets	å¥è„¾è¡¥è¡€ç‰‡
TCMF6953	Jian Yan Ling	å¥å»¶é¾„
TCMFx1962	Jixueteng Concentrated Decoction	é¸¡è¡€è—¤è†
TCMF4198	Kang Shuai Ling Ointment	æŠ—è¡°çµè†
TCMFx4318	Mao Ji Bu Xue Wine	æ¯›é¸¡è¡¥è¡€é…’
TCMF4553	Mo Jia Qing Ning Pills	èŽ«å®¶æ¸…å®ä¸¸
TCMF5458	Qing Ning Pills	æ¸…å®ä¸¸
TCMF2525	Qingning Pills	æ¸…å®ä¸¸
TCMF1403	Qingning Pills	æ¸…å®ä¸¸
TCMF2532	Red Jujube and Black Bean Decoction
TCMFx1192	She Xiang Feng Shi Capsule	éºé¦™é£Žæ¹¿èƒ¶å›Š
TCMFx5099	She Xiang Feng Shi Capsules	éºé¦™é£Žæ¹¿èƒ¶å›Š
TCMFx6958	Shen Di Yi Shen Oral Liquid	å‚åœ°ç›Šè‚¾å£æœæ¶²
TCMFx3551	Shen Rong Gu Ben Huan Shao Pills	å‚èŒ¸å›ºæœ¬è¿˜å°‘ä¸¸
TCMFx699	Shen Yan Kang Fu Tablet	è‚¾ç‚Žåº·å¤ç‰‡
TCMFx5659	Sheng Fa Tablets	ç”Ÿå‘ç‰‡
TCMFx5009	Shi Wu Zhi Qing Ning Pills	åäº”åˆ¶æ¸…å®ä¸¸
TCMFx5508	Wei Xue Kang Syrup	ç»´è¡€åº·ç³–æµ†
TCMFx5199	Wu Fa Pills	ä¹Œå‘ä¸¸
TCMFx5254	Wu Jin Zhi Tong Pills	ä¹Œé‡‘æ¢ç—›ä¸¸
TCMF6646	Yan Shou Tablets	å»¶å¯¿ç‰‡
TCMF6794	Yang Rong Bai Cao Pills	å…»è£ç™¾è‰ä¸¸
TCMF6637	Yi Shen Qiang Shen Pills	ç›Šè‚¾å¼ºèº«ä¸¸
TCMFx6170	Zhi Su Ning Tablets	ç—”é€Ÿå®ç‰‡

Targeted Human Proteins by the Ingredient of Component

Target ID	Gene Symbol	Target Name	Target Class	Uniprot ID

Targeted Pathogenic Microbes by the Ingredient of Component

Target ID	Target Name

Ingredient Structrues

Ingredient ID: TCMC7249
Formula: C48H78O19

Common Name	Soyasaponin A3
IUPAC Name	(2S,3S,4S,5R,6R)-6-[[(3S,4S,4aR,6aR,6bS,8aR,9S,10R,12aS,14aR,14bR)-9,10-dihydroxy-4-(hydroxymethyl)-4,6a,6b,8a,11,11,14b-heptamethyl-1,2,3,4a,5,6,7,8,9,10,12,12a,14,14a-tetradecahydropicen-3-yl]oxy]-5-[(2S,3R,4S,5R,6R)-4,5-dihydroxy-6-(hydroxymethyl)-3-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-2-yl]oxy-3,4-dihydroxyoxane-2-carboxylic acid
Canonical SMILES	OC[C@H]1O[C@@H](O[C@H]2[C@@H](O[C@@H]([C@H]([C@@H]2O)O)C(=O)[O-])O[C@H]2CC[C@]3([C@H]([C@@]2(C)CO)CC[C@@]2([C@@H]3CC=C3[C@@]2(C)CC[C@@]2([C@H]3CC(C)(C)[C@H]([C@H]2O)O)C)C)C)[C@@H]([C@H]([C@H]1O)O)O[C@@H]1O[C@@H](C)[C@@H]([C@H]([C@H]1O)O)O
Standard InCHI	InChI=1S/C48H78O19/c1-20-27(51)29(53)33(57)40(62-20)66-35-30(54)28(52)23(18-49)63-41(35)67-36-32(56)31(55)34(39(60)61)65-42(36)64-26-12-13-45(5)24(46(26,6)19-50)11-14-48(8)25(45)10-9-21-22-17-43(2,3)37(58)38(59)44(22,4)15-16-47(21,48)7/h9,20,22-38,40-42,49-59H,10-19H2,1-8H3,(H,60,61)/p-1/t20-,22-,23+,24+,25+,26-,27-,28-,29+,30-,31-,32-,33+,34-,35+,36+,37-,38+,40-,41-,42+,44+,45-,46+,47+,48+/m0/s1
Standard InCHIKey	NQGDGFITHGCDAO-ULCPARNTSA-M
External Identifiers	ChEMBL [N/A]; PubChem [101987000];
Reference of Component-Ingredient Pair	N/A

Occurrence of the ingredient across TCM components

Component ID	Latin Name	Pinyin Name	Chinese Name
TCMH834	Semen glycine max	Hei Dou	é»‘è±†
TCMH1814	Sophora subprostrata	Shan Dou Gen	å±±è±†æ ¹

Ingredient ID: TCMC7000
Formula: C21H22O5

Common Name	Glyceollin Iv
IUPAC Name	(6aS,11aS)-3-methoxy-2-(3-methylbut-2-enyl)-6,11a-dihydro-[1]benzofuro[3,2-c]chromene-6a,9-diol
Canonical SMILES	COc1cc2OC[C@@]3([C@H](c2cc1CC=C(C)C)Oc1c3ccc(c1)O)O
Standard InCHI	InChI=1S/C21H22O5/c1-12(2)4-5-13-8-15-18(10-17(13)24-3)25-11-21(23)16-7-6-14(22)9-19(16)26-20(15)21/h4,6-10,20,22-23H,5,11H2,1-3H3/t20-,21+/m0/s1
Standard InCHIKey	WOKIXZBYDPTMJD-LEWJYISDSA-N
External Identifiers	ChEMBL [N/A]; PubChem [92470518];
Reference of Component-Ingredient Pair	25296697

Occurrence of the ingredient across TCM components

Component ID	Latin Name	Pinyin Name	Chinese Name
TCMH834	Semen glycine max	Hei Dou	é»‘è±†

Ingredient ID: TCMC6987
Formula: C48H78O19

Common Name	Soyasaponin V
IUPAC Name	(2S,3S,4S,5R,6R)-6-[[(3S,4S,4aR,6aR,6bS,8aR,9R,12aS,14aR,14bR)-9-hydroxy-4-(hydroxymethyl)-4,6a,6b,8a,11,11,14b-heptamethyl-1,2,3,4a,5,6,7,8,9,10,12,12a,14,14a-tetradecahydropicen-3-yl]oxy]-5-[(2S,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-3,4-dihydroxyoxane-2-carboxylic acid
Canonical SMILES	OC[C@H]1O[C@@H](O[C@H]2[C@@H](O[C@@H]([C@H]([C@@H]2O)O)C(=O)[O-])O[C@H]2CC[C@]3([C@H]([C@@]2(C)CO)CC[C@@]2([C@@H]3CC=C3[C@@]2(C)CC[C@@]2([C@H]3CC(C)(C)C[C@H]2O)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/C48H78O19/c1-43(2)16-22-21-8-9-26-45(4)12-11-28(46(5,20-51)25(45)10-13-48(26,7)47(21,6)15-14-44(22,3)27(52)17-43)64-42-38(34(58)33(57)36(65-42)39(60)61)67-41-37(32(56)30(54)24(19-50)63-41)66-40-35(59)31(55)29(53)23(18-49)62-40/h8,22-38,40-42,49-59H,9-20H2,1-7H3,(H,60,61)/p-1/t22-,23+,24+,25+,26+,27+,28-,29+,30-,31-,32-,33-,34-,35+,36-,37+,38+,40-,41-,42+,44+,45-,46+,47+,48+/m0/s1
Standard InCHIKey	WFRQIKSNAYYUJZ-BKQVBUAGSA-M
External Identifiers	ChEMBL [N/A]; PubChem [91973815];
Reference of Component-Ingredient Pair	10423561

Occurrence of the ingredient across TCM components

Component ID	Latin Name	Pinyin Name	Chinese Name
TCMH834	Semen glycine max	Hei Dou	é»‘è±†

Ingredient ID: TCMC6753
Formula: C31H52O3

Common Name	Soyasapogenol D
IUPAC Name	(3S,4S,4aR,6aR,6bS,8aR,9R,14aR,14bR)-4-(hydroxymethyl)-9-methoxy-4,6a,6b,8a,11,11,14b-heptamethyl-1,2,3,4a,5,6,7,8,9,10,12,13,14,14a-tetradecahydropicen-3-ol
Canonical SMILES	CO[C@@H]1CC(C)(C)CC2=C3[C@](CC[C@@]12C)(C)[C@]1(C)CC[C@@H]2[C@]([C@H]1CC3)(C)CC[C@@H]([C@]2(C)CO)O
Standard InCHI	InChI=1S/C31H52O3/c1-26(2)17-21-20-9-10-23-28(4)13-12-24(33)29(5,19-32)22(28)11-14-31(23,7)30(20,6)16-15-27(21,3)25(18-26)34-8/h22-25,32-33H,9-19H2,1-8H3/t22-,23-,24+,25-,27-,28+,29-,30-,31-/m1/s1
Standard InCHIKey	JAQZKPHHLRTVCY-ZHRKTGFNSA-N
External Identifiers	ChEMBL [N/A]; PubChem [46173903];
Reference of Component-Ingredient Pair	N/A

Occurrence of the ingredient across TCM components

Component ID	Latin Name	Pinyin Name	Chinese Name
TCMH834	Semen glycine max	Hei Dou	é»‘è±†

Ingredient ID: TCMC6464
Formula: C53H86O24

Common Name	Soyasaponin A2
IUPAC Name	(2S,3S,4S,5R,6R)-6-[[(3S,4S,4aR,6aR,6bS,8aR,9S,10R,12aS,14aR,14bR)-9-[(2S,3R,4S,5S)-3,5-dihydroxy-4-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-10-hydroxy-4-(hydroxymethyl)-4,6a,6b,8a,11,11,14b-heptamethyl-1,2,3,4a,5,6,7,8,9,10,12,12a,14,14a-tetradecahydropicen-3-yl]oxy]-3,4-dihydroxy-5-[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxane-2-carboxylic acid
Canonical SMILES	OC[C@H]1O[C@@H](O[C@H]2[C@@H](O)CO[C@H]([C@@H]2O)O[C@@H]2[C@H](O)C(C)(C)C[C@@H]3[C@@]2(C)CC[C@@]2(C3=CC[C@H]3[C@@]2(C)CC[C@@H]2[C@]3(C)CC[C@@H]([C@]2(C)CO)O[C@@H]2O[C@H](C(=O)[O-])[C@H]([C@@H]([C@H]2O[C@@H]2O[C@H](CO)[C@@H]([C@@H]([C@H]2O)O)O)O)O)C)[C@@H]([C@H]([C@@H]1O)O)O
Standard InCHI	InChI=1S/C53H86O24/c1-48(2)16-22-21-8-9-27-50(4)12-11-28(73-47-40(34(63)33(62)39(75-47)43(68)69)76-46-36(65)32(61)30(59)25(18-55)72-46)51(5,20-56)26(50)10-13-53(27,7)52(21,6)15-14-49(22,3)42(41(48)67)77-44-37(66)38(23(57)19-70-44)74-45-35(64)31(60)29(58)24(17-54)71-45/h8,22-42,44-47,54-67H,9-20H2,1-7H3,(H,68,69)/p-1/t22-,23-,24+,25+,26+,27+,28-,29+,30-,31-,32-,33-,34-,35+,36+,37+,38-,39-,40+,41-,42+,44-,45-,46-,47+,49+,50-,51+,52+,53+/m0/s1
Standard InCHIKey	QSWYVJWAKZGGIL-HNZPYRTBSA-M
External Identifiers	ChEMBL [N/A]; PubChem [21626405];
Reference of Component-Ingredient Pair	7882322

Occurrence of the ingredient across TCM components

Component ID	Latin Name	Pinyin Name	Chinese Name
TCMH834	Semen glycine max	Hei Dou	é»‘è±†

Ingredient ID: TCMC6372
Formula: C20H18O5

Common Name	Hydroxyphaseollin
IUPAC Name	(2S,11S)-17,17-dimethyl-4,12,18-trioxapentacyclo[11.8.0.02,11.05,10.014,19]henicosa-1(13),5(10),6,8,14(19),15,20-heptaene-2,7-diol
Canonical SMILES	Oc1ccc2c(c1)OC[C@@]1([C@H]2Oc2c1ccc1c2C=CC(O1)(C)C)O
Standard InCHI	InChI=1S/C20H18O5/c1-19(2)8-7-12-15(25-19)6-5-14-17(12)24-18-13-4-3-11(21)9-16(13)23-10-20(14,18)22/h3-9,18,21-22H,10H2,1-2H3/t18-,20+/m0/s1
Standard InCHIKey	LPBAKOAUSJMTEN-AZUAARDMSA-N
External Identifiers	ChEMBL [N/A]; PubChem [21155923];
Reference of Component-Ingredient Pair	N/A

Occurrence of the ingredient across TCM components

Component ID	Latin Name	Pinyin Name	Chinese Name
TCMH834	Semen glycine max	Hei Dou	é»‘è±†

Ingredient ID: TCMC6001
Formula: C30H48O3

Common Name	Soyasapogenol E
IUPAC Name	(4aR,6aR,6aS,6bR,8aR,9S,10S,12aR,14bS)-10-hydroxy-9-(hydroxymethyl)-2,2,4a,6a,6b,9,12a-heptamethyl-3,5,6,6a,7,8,8a,10,11,12,13,14b-dodecahydro-1H-picen-4-one
Canonical SMILES	OC[C@@]1(C)[C@@H](O)CC[C@]2([C@H]1CC[C@@]1([C@@H]2CC=C2[C@@]1(C)CC[C@@]1([C@H]2CC(CC1=O)(C)C)C)C)C
Standard InCHI	InChI=1S/C30H48O3/c1-25(2)16-20-19-8-9-22-27(4)12-11-23(32)28(5,18-31)21(27)10-13-30(22,7)29(19,6)15-14-26(20,3)24(33)17-25/h8,20-23,31-32H,9-18H2,1-7H3/t20-,21+,22+,23-,26+,27-,28+,29+,30+/m0/s1
Standard InCHIKey	FNRBOAGVUNHDIL-LMZUXBMISA-N
External Identifiers	ChEMBL [CHEMBL490989]; PubChem [13632872];
Reference of Component-Ingredient Pair	10552628

Occurrence of the ingredient across TCM components

Component ID	Latin Name	Pinyin Name	Chinese Name
TCMH834	Semen glycine max	Hei Dou	é»‘è±†

Ingredient ID: TCMC5959
Formula: C30H50O4

Common Name	Soyasapogenol A
IUPAC Name	(3R,4S,4aR,6aR,6aS,6bR,8aR,9S,10S,12aR,14bS)-9-(hydroxymethyl)-2,2,4a,6a,6b,9,12a-heptamethyl-1,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropicene-3,4,10-triol
Canonical SMILES	OC[C@@]1(C)[C@@H](O)CC[C@]2([C@H]1CC[C@@]1([C@@H]2CC=C2[C@@]1(C)CC[C@@]1([C@H]2CC([C@H]([C@H]1O)O)(C)C)C)C)C
Standard InCHI	InChI=1S/C30H50O4/c1-25(2)16-19-18-8-9-21-27(4)12-11-22(32)28(5,17-31)20(27)10-13-30(21,7)29(18,6)15-14-26(19,3)24(34)23(25)33/h8,19-24,31-34H,9-17H2,1-7H3/t19-,20+,21+,22-,23-,24+,26+,27-,28+,29+,30+/m0/s1
Standard InCHIKey	CDDWAYFUFNQLRZ-KJVHGCRFSA-N
External Identifiers	ChEMBL [CHEMBL1762006]; PubChem [12442849];
Reference of Component-Ingredient Pair	12428942

Occurrence of the ingredient across TCM components

Component ID	Latin Name	Pinyin Name	Chinese Name
TCMH834	Semen glycine max	Hei Dou	é»‘è±†
TCMH1814	Sophora subprostrata	Shan Dou Gen	å±±è±†æ ¹

Ingredient ID: TCMC5448
Formula: C43H87NO5

Common Name	Soyasphingosine A
IUPAC Name	(2R)-2-hydroxy-N-[(2S,3S,4R)-1,3,4-trihydroxyoctadecan-2-yl]pentacosanamide
Canonical SMILES	CCCCCCCCCCCCCCCCCCCCCCC[C@H](C(=O)N[C@H]([C@@H]([C@@H](CCCCCCCCCCCCCC)O)O)CO)O
Standard InCHI	InChI=1S/C43H87NO5/c1-3-5-7-9-11-13-15-17-18-19-20-21-22-23-24-25-27-29-31-33-35-37-41(47)43(49)44-39(38-45)42(48)40(46)36-34-32-30-28-26-16-14-12-10-8-6-4-2/h39-42,45-48H,3-38H2,1-2H3,(H,44,49)/t39-,40+,41+,42-/m0/s1
Standard InCHIKey	YADUGDLSXPPFIP-YIEWKAQUSA-N
External Identifiers	ChEMBL [N/A]; PubChem [10580558];
Reference of Component-Ingredient Pair	N/A

Occurrence of the ingredient across TCM components

Component ID	Latin Name	Pinyin Name	Chinese Name
TCMH834	Semen glycine max	Hei Dou	é»‘è±†

Ingredient ID: TCMC5336
Formula: C42H85NO5

Common Name	Soyasphingosine B
IUPAC Name	(2R)-2-hydroxy-N-[(2S,3S,4R)-1,3,4-trihydroxyoctadecan-2-yl]tetracosanamide
Canonical SMILES	CCCCCCCCCCCCCCCCCCCCCC[C@H](C(=O)N[C@H]([C@@H]([C@@H](CCCCCCCCCCCCCC)O)O)CO)O
Standard InCHI	InChI=1S/C42H85NO5/c1-3-5-7-9-11-13-15-17-18-19-20-21-22-23-24-26-28-30-32-34-36-40(46)42(48)43-38(37-44)41(47)39(45)35-33-31-29-27-25-16-14-12-10-8-6-4-2/h38-41,44-47H,3-37H2,1-2H3,(H,43,48)/t38-,39+,40+,41-/m0/s1
Standard InCHIKey	ZFUXWVVVWGWGPQ-QLLOZFISSA-N
External Identifiers	ChEMBL [N/A]; PubChem [10212035];
Reference of Component-Ingredient Pair	16261518

Occurrence of the ingredient across TCM components

Component ID	Latin Name	Pinyin Name	Chinese Name
TCMH834	Semen glycine max	Hei Dou	é»‘è±†

Ingredient ID: TCMC4591
Formula: C16H12O5

Common Name	Glycitein
IUPAC Name	7-hydroxy-3-(4-hydroxyphenyl)-6-methoxychromen-4-one
Canonical SMILES	COc1cc2c(cc1O)occ(c2=O)c1ccc(cc1)O
Standard InCHI	InChI=1S/C16H12O5/c1-20-15-6-11-14(7-13(15)18)21-8-12(16(11)19)9-2-4-10(17)5-3-9/h2-8,17-18H,1H3
Standard InCHIKey	DXYUAIFZCFRPTH-UHFFFAOYSA-N
External Identifiers	ChEMBL [CHEMBL513024]; PubChem [5317750];
Reference of Component-Ingredient Pair	22484990

Occurrence of the ingredient across TCM components

Component ID	Latin Name	Pinyin Name	Chinese Name
TCMH834	Semen glycine max	Hei Dou	é»‘è±†

Ingredient ID: TCMC4408
Formula: C28H48O

Common Name	Campesterol,M-Cresol
IUPAC Name	(3S,8S,9S,10R,13R,14S,17R)-17-[(2R,5S)-5,6-dimethylheptan-2-yl]-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-ol
Canonical SMILES	O[C@H]1CC[C@]2(C(=CC[C@@H]3[C@@H]2CC[C@]2([C@H]3CC[C@@H]2[C@@H](CC[C@@H](C(C)C)C)C)C)C1)C
Standard InCHI	InChI=1S/C28H48O/c1-18(2)19(3)7-8-20(4)24-11-12-25-23-10-9-21-17-22(29)13-15-27(21,5)26(23)14-16-28(24,25)6/h9,18-20,22-26,29H,7-8,10-17H2,1-6H3/t19-,20+,22-,23-,24+,25-,26-,27-,28+/m0/s1
Standard InCHIKey	SGNBVLSWZMBQTH-ZRUUVFCLSA-N
External Identifiers	ChEMBL [CHEMBL485421]; PubChem [5283637];
Reference of Component-Ingredient Pair	28357621

Occurrence of the ingredient across TCM components

Component ID	Latin Name	Pinyin Name	Chinese Name
TCMH949	Phellodendron amurense	Huang Bai	é»„æŸ
TCMH1186	Lycium chinense	Gou Qi Zi	æž¸æžå
TCMH700	Drynaria fortunei	Gu Sui Bu	éª¨ç¢Žè¡¥
TCMH834	Semen glycine max	Hei Dou	é»‘è±†
TCMH986	Scutellaria baicalensis	Huang Qin	é»„èŠ©
TCMH1343	Aloe vera	Lu Hui	èŠ¦èŸ
TCMH1845	Dioscorea batatas	Shan Yao	å±±è¯
TCMH1721	Panax ginseng	Ren Shen	äººå‚
TCMH1797	Morus alba	Sang Ye	æ¡‘å¶

Ingredient ID: TCMC4372
Formula: C20H16O5

Common Name	Sojagol
IUPAC Name	7-hydroxy-17,17-dimethyl-4,12,18-trioxapentacyclo[11.8.0.02,11.05,10.014,19]henicosa-1(13),2(11),5(10),6,8,14(19),20-heptaen-3-one
Canonical SMILES	Oc1ccc2c(c1)oc(=O)c1c2oc2c1ccc1c2CCC(O1)(C)C
Standard InCHI	InChI=1S/C20H16O5/c1-20(2)8-7-12-14(25-20)6-5-13-16-18(24-17(12)13)11-4-3-10(21)9-15(11)23-19(16)22/h3-6,9,21H,7-8H2,1-2H3
Standard InCHIKey	GSAVLDZAGYKJSO-UHFFFAOYSA-N
External Identifiers	ChEMBL [N/A]; PubChem [5281809];
Reference of Component-Ingredient Pair	24493455

Occurrence of the ingredient across TCM components

Component ID	Latin Name	Pinyin Name	Chinese Name
TCMH834	Semen glycine max	Hei Dou	é»‘è±†

Ingredient ID: TCMC4331
Formula: C21H20O10

Common Name	Genistein 7-Glucoside
IUPAC Name	5-hydroxy-3-(4-hydroxyphenyl)-7-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxychromen-4-one
Canonical SMILES	OC[C@H]1O[C@@H](Oc2cc(O)c3c(c2)occ(c3=O)c2ccc(cc2)O)[C@@H]([C@H]([C@@H]1O)O)O
Standard InCHI	InChI=1S/C21H20O10/c22-7-15-18(26)19(27)20(28)21(31-15)30-11-5-13(24)16-14(6-11)29-8-12(17(16)25)9-1-3-10(23)4-2-9/h1-6,8,15,18-24,26-28H,7H2/t15-,18-,19+,20-,21-/m1/s1
Standard InCHIKey	ZCOLJUOHXJRHDI-CMWLGVBASA-N
External Identifiers	ChEMBL [CHEMBL486625]; PubChem [5281377];
Reference of Component-Ingredient Pair	27019979

Occurrence of the ingredient across TCM components

Component ID	Latin Name	Pinyin Name	Chinese Name
TCMH677	Pueraria lobata	Ge Gen	è‘›æ ¹
TCMH834	Semen glycine max	Hei Dou	é»‘è±†
TCMH938	Sophora japonica	Huai Hua	æ§èŠ±

Ingredient ID: TCMC4324
Formula: C29H48O

Common Name	Stigmasterol
IUPAC Name	(3S,8S,9S,10R,13R,14S,17R)-17-[(E,2R,5R)-5-ethyl-6-methylhept-3-en-2-yl]-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-ol
Canonical SMILES	CC[C@H](C(C)C)/C=C/[C@H]([C@H]1CC[C@@H]2[C@]1(C)CC[C@H]1[C@H]2CC=C2[C@]1(C)CC[C@@H](C2)O)C
Standard InCHI	InChI=1S/C29H48O/c1-7-21(19(2)3)9-8-20(4)25-12-13-26-24-11-10-22-18-23(30)14-16-28(22,5)27(24)15-17-29(25,26)6/h8-10,19-21,23-27,30H,7,11-18H2,1-6H3/b9-8+/t20-,21+,23+,24+,25-,26+,27+,28+,29-/m1/s1
Standard InCHIKey	HCXVJBMSMIARIN-KEJCWXRGSA-N
External Identifiers	ChEMBL [CHEMBL400247]; PubChem [5281330];
Reference of Component-Ingredient Pair	24242815

Occurrence of the ingredient across TCM components

Component ID	Latin Name	Pinyin Name	Chinese Name
TCMH389	Gleditsiae sinensis fructus	Da Zao Jiao	å¤§çš‚è§’
TCMH60	Ginkgo biloba	Bai Guo	ç™½æžœ
TCMH228	Bupleurum chinense	Chai Hu	æŸ´èƒ¡
TCMH407	Salvia miltiorrhiza	Dan Shen	ä¸¹å‚
TCMH12	Artemisia argyi	Ai Ye	è‰¾å¶
TCMH536	Centipeda minima	E Bu Shi Cao	é¹…ä¸é£Ÿè‰
TCMH206	Fructus xanthii sibirici	Cang Er Zi	è‹è€³å
TCMH62	Lilium brownii	Bai He	ç™¾åˆ
TCMH421	Angelica sinensis	Dang Gui	å½“å½’
TCMH90	Imperata cylindrica	Bai Mao Gen	ç™½èŒ…æ ¹
TCMH241	Plantago asiatica	Che Qian Zi	è½¦å‰å
TCMH426	Codonopsis pilosula	Dang Shen	å…šå‚
TCMH449	Cortex lycii radicis	Di Gu Pi	åœ°éª¨çš®
TCMH370	Herba cirsii japonici	Da Ji(1)	å¤§è“Ÿ
TCMH193	Psoralea corylifolia	Bu Gu Zhi	è¡¥éª¨è„‚
TCMH388	Ziziphus jujuba	Da Zao	å¤§æž£
TCMH1186	Lycium chinense	Gou Qi Zi	æž¸æžå
TCMH700	Drynaria fortunei	Gu Sui Bu	éª¨ç¢Žè¡¥
TCMH776	Piper kadsura	Hai Feng Teng	æµ·é£Žè—¤
TCMH1127	Lonicera japonica	Jin Yin Hua	é‡‘é“¶èŠ±
TCMH1376	Trachelospermum jasminoides	Luo Shi Teng	ç»œçŸ³è—¤
TCMH834	Semen glycine max	Hei Dou	é»‘è±†
TCMH986	Scutellaria baicalensis	Huang Qin	é»„èŠ©
TCMH1533	Saussurea lappa	Mu Xiang	æœ¨é¦™
TCMH1499	Changium smyrnioides	Ming Dang Shen	æ˜Žå…šå‚
TCMH1423	Ophiopogon japonicus	Mai Dong	éº¦å†¬
TCMH1845	Dioscorea batatas	Shan Yao	å±±è¯
TCMH1768	Panax notoginseng	San Qi	ä¸‰ä¸ƒ
TCMH1680	Sinomenium acutum	Qing Feng Teng	é’é£Žè—¤
TCMH1531	Akebia quinata	Mu Tong	æœ¨é€š
TCMH1721	Panax ginseng	Ren Shen	äººå‚
TCMH1797	Morus alba	Sang Ye	æ¡‘å¶
TCMH2238	Siegesbeckiae herba	Xi Xian Cao	è±¨èŽ¶è‰
TCMH2641	Gardenia jasminoides	Zhi Zi	æ €å
TCMH2722	Perilla frutescens var. arguta	Zi Su Ye	ç´«è‹å¶
TCMH2295	fructus foeniculi	Xiao Hui Xiang	å°èŒ´é¦™
TCMH2297	Cirsium setosum	Xiao Ji	å°è“Ÿ

Ingredient ID: TCMC4247
Formula: C30H48O2

Common Name	Soyasapogenol C
IUPAC Name	(3S,4S,4aR,6aR,6bS,8aS,12aR,14aR,14bR)-4-(hydroxymethyl)-4,6a,6b,8a,11,11,14b-heptamethyl-1,2,3,4a,5,6,7,8,12,12a,14,14a-dodecahydropicen-3-ol
Canonical SMILES	OC[C@@]1(C)[C@@H](O)CC[C@]2([C@H]1CC[C@@]1([C@@H]2CC=C2[C@@]1(C)CC[C@@]1([C@H]2CC(C=C1)(C)C)C)C)C
Standard InCHI	InChI=1S/C30H48O2/c1-25(2)14-15-26(3)16-17-29(6)20(21(26)18-25)8-9-23-27(4)12-11-24(32)28(5,19-31)22(27)10-13-30(23,29)7/h8,14-15,21-24,31-32H,9-13,16-19H2,1-7H3/t21-,22+,23+,24-,26+,27-,28+,29+,30+/m0/s1
Standard InCHIKey	VNGUCOGHCJHFID-FLZFTVBESA-N
External Identifiers	ChEMBL [N/A]; PubChem [3083637];
Reference of Component-Ingredient Pair	US7713942

Occurrence of the ingredient across TCM components

Component ID	Latin Name	Pinyin Name	Chinese Name
TCMH834	Semen glycine max	Hei Dou	é»‘è±†

Ingredient ID: TCMC4132
Formula: C6H6O6

Common Name	Cis-Aconitic Acid
IUPAC Name	(Z)-prop-1-ene-1,2,3-tricarboxylic acid
Canonical SMILES	[O-]C(=O)C/C(=C/C(=O)[O-])/C(=O)[O-]
Standard InCHI	InChI=1S/C6H6O6/c7-4(8)1-3(6(11)12)2-5(9)10/h1H,2H2,(H,7,8)(H,9,10)(H,11,12)/p-3/b3-1-
Standard InCHIKey	GTZCVFVGUGFEME-IWQZZHSRSA-K
External Identifiers	ChEMBL [CHEMBL347285]; PubChem [643757];
Reference of Component-Ingredient Pair	27469509

Occurrence of the ingredient across TCM components

Component ID	Latin Name	Pinyin Name	Chinese Name
TCMH834	Semen glycine max	Hei Dou	é»‘è±†

Ingredient ID: TCMC3966
Formula: C29H50O

Common Name	Sitosterol,Î’-Sitosterol
IUPAC Name	(3S,8S,9S,10R,13R,14S,17R)-17-[(2R,5S)-5-ethyl-6-methylheptan-2-yl]-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-ol
Canonical SMILES	CC[C@H](C(C)C)CC[C@H]([C@H]1CC[C@@H]2[C@]1(C)CC[C@H]1[C@H]2CC=C2[C@]1(C)CC[C@@H](C2)O)C
Standard InCHI	InChI=1S/C29H50O/c1-7-21(19(2)3)9-8-20(4)25-12-13-26-24-11-10-22-18-23(30)14-16-28(22,5)27(24)15-17-29(25,26)6/h10,19-21,23-27,30H,7-9,11-18H2,1-6H3/t20-,21+,23+,24+,25-,26+,27+,28+,29-/m1/s1
Standard InCHIKey	KZJWDPNRJALLNS-FBZNIEFRSA-N
External Identifiers	ChEMBL [CHEMBL221542]; PubChem [457801];
Reference of Component-Ingredient Pair	23115546

Occurrence of the ingredient across TCM components

Component ID	Latin Name	Pinyin Name	Chinese Name
TCMH29	Croton tiglium	Ba Dou Shuang	å·´è±†éœœ
TCMH389	Gleditsiae sinensis fructus	Da Zao Jiao	å¤§çš‚è§’
TCMH224	Thuja orientalis	Ce Bai Ye	ä¾§æŸå¶
TCMH381	Isatis indigotica	Da Qing Ye	å¤§é’å¶
TCMH60	Ginkgo biloba	Bai Guo	ç™½æžœ
TCMH287	Clematidis armandii caulis	Chuan Mu Tong	å·æœ¨é€š
TCMH407	Salvia miltiorrhiza	Dan Shen	ä¸¹å‚
TCMH12	Artemisia argyi	Ai Ye	è‰¾å¶
TCMH28	Croton tiglium	Ba Dou	å·´è±†
TCMH305	Cnidium officinale	Chuan Xiong	å·èŠŽ
TCMH240	Plantago depressa	Che Qian Cao	è½¦å‰è‰
TCMH294	Rhizoma dioscoreae nipponicae	Chuan Shan Long	ç©¿å±±é¾™
TCMH121	Biota orientalis	Bai Zi Ren	æŸåä»
TCMH241	Plantago asiatica	Che Qian Zi	è½¦å‰å
TCMH524	Eucommia ulmoides	Du Zhong	æœä»²
TCMH127	Isatis indigotica	Ban Lan Gen	æ¿è“æ ¹
TCMH562	Saposhnikovia divaricata	Fang Feng	é˜²é£Ž
TCMH327	Eleutherococcus senticosus	Ci Wu Jia	åˆºäº”åŠ
TCMH104	Paeonia lactiflora	Bai Shao	ç™½èŠ
TCMH130	Pinellia ternata	Ban Xia	åŠå¤
TCMH370	Herba cirsii japonici	Da Ji(1)	å¤§è“Ÿ
TCMH258	Paeonia obovata	Chi Shao	èµ¤èŠ
TCMH430	Canavalia gladiata	Dao Dou	åˆ€è±†
TCMH31	Morinda officinalis	Ba Ji Tian	å·´æˆŸå¤©
TCMH385	Sargentodoxa cuneata	Da Xue Teng	å¤§è¡€è—¤
TCMH273	Fritillaria cirrhosa	Chuan Bei Mu	å·è´æ¯
TCMH677	Pueraria lobata	Ge Gen	è‘›æ ¹
TCMH388	Ziziphus jujuba	Da Zao	å¤§æž£
TCMH949	Phellodendron amurense	Huang Bai	é»„æŸ
TCMH1186	Lycium chinense	Gou Qi Zi	æž¸æžå
TCMH628	Glycyrrhiza uralensis	Gan Cao	ç”˜è‰
TCMH700	Drynaria fortunei	Gu Sui Bu	éª¨ç¢Žè¡¥
TCMH776	Piper kadsura	Hai Feng Teng	æµ·é£Žè—¤
TCMH819	Polygonum multiflorum	He Shou Wu	ä½•é¦–ä¹Œ
TCMH1127	Lonicera japonica	Jin Yin Hua	é‡‘é“¶èŠ±
TCMH761	Cinnamomum cassia	Gui Zhi	æ¡‚æž
TCMH1376	Trachelospermum jasminoides	Luo Shi Teng	ç»œçŸ³è—¤
TCMH865	Carthamus tinctorius	Hong Hua	çº¢èŠ±
TCMH981	Astragalus membranaceus	Huang Qi	é»„èŠª
TCMH1368	Apocyni veneti folium	Luo Bu Ma Ye	ç½—å¸ƒéº»å¶
TCMH834	Semen glycine max	Hei Dou	é»‘è±†
TCMH986	Scutellaria baicalensis	Huang Qin	é»„èŠ©
TCMH877	Radix ginseng rubra	Hong Shen	çº¢å‚
TCMH1432	Vitex trifolia	Man Jing Zi	è”“è†å
TCMH1359	Pyrola calliantha	Lu Xian Cao	é¹¿è¡”è‰
TCMH1533	Saussurea lappa	Mu Xiang	æœ¨é¦™
TCMH1698	Semen celosiae	Qing Xiang Zi	é’è‘™å
TCMH1906	Cimicifuga foetida	Sheng Ma	å‡éº»
TCMH1740	Cistanche deserticola	Rou Cong Rong	è‚‰è‹è“‰
TCMH1814	Sophora subprostrata	Shan Dou Gen	å±±è±†æ ¹
TCMH1617	Eriobotrya japonica thunb	Pi Pa Ye	æž‡æ·å¶
TCMH1953	Pyrrosia lingua	Shi Wei	çŸ³éŸ¦
TCMH1634	Typha angustata	Pu Huang	è’²é»„
TCMH1665	Notopterygium incisum	Qiang Huo	ç¾Œæ´»
TCMH1845	Dioscorea batatas	Shan Yao	å±±è¯
TCMH1768	Panax notoginseng	San Qi	ä¸‰ä¸ƒ
TCMH1680	Sinomenium acutum	Qing Feng Teng	é’é£Žè—¤
TCMH1531	Akebia quinata	Mu Tong	æœ¨é€š
TCMH1721	Panax ginseng	Ren Shen	äººå‚
TCMH1797	Morus alba	Sang Ye	æ¡‘å¶
TCMH1866	Cnidium monnieri	She Chuang Zi	è›‡åºŠå
TCMH2090	Gastrodia elata	Tian Ma	å¤©éº»
TCMH2094	Arisaema consanguineum	Tian Nan Xing	å¤©å—æ˜Ÿ
TCMH2641	Gardenia jasminoides	Zhi Zi	æ €å
TCMH2545	Houttuynia cordata	Yu Xing Cao	é±¼è…¥è‰
TCMH2252	Agrimonia pilosa var. japonica	Xian He Cao	ä»™é¹¤è‰
TCMH2722	Perilla frutescens var. arguta	Zi Su Ye	ç´«è‹å¶
TCMH2343	Scrophularia ningpoensis	Xuan Shen	çŽ„å‚
TCMH2684	Ardisia crenata	Zhu Sha Gen	æœ±ç ‚æ ¹
TCMH2295	fructus foeniculi	Xiao Hui Xiang	å°èŒ´é¦™
TCMH2297	Cirsium setosum	Xiao Ji	å°è“Ÿ

Ingredient ID: TCMC3950
Formula: C21H21O12

Common Name	Delphinidin-3-Glucoside
IUPAC Name	(2S,3R,4S,5S,6R)-2-[5,7-dihydroxy-2-(3,4,5-trihydroxyphenyl)chromenylium-3-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol
Canonical SMILES	OC[C@H]1O[C@@H](Oc2cc3c(O)cc(cc3[o+]c2c2cc(O)c(c(c2)O)O)O)[C@@H]([C@H]([C@@H]1O)O)O
Standard InCHI	InChI=1S/C21H21O12/c22-6-15-17(28)18(29)19(30)21(33-15)32-14-5-9-10(24)3-8(23)4-13(9)31-20(14)7-1-11(25)16(27)12(26)2-7/h1-5,15,17-19,21-30H,6H2/q+1/t15-,17-,18+,19-,21-/m1/s1
Standard InCHIKey	VWRDVFLIYXFVBQ-PEVLUNPASA-N
External Identifiers	ChEMBL [CHEMBL518846]; PubChem [443650];
Reference of Component-Ingredient Pair	29037704

Occurrence of the ingredient across TCM components

Component ID	Latin Name	Pinyin Name	Chinese Name
TCMH834	Semen glycine max	Hei Dou	é»‘è±†

Ingredient ID: TCMC3863
Formula: C59H96O29

Common Name	Soyasaponin A1
IUPAC Name	(2S,3S,4S,5R,6R)-6-[[(3S,4S,4aR,6aR,6bS,8aR,9S,10R,12aS,14aR,14bR)-9-[(2S,3R,4S,5S)-3,5-dihydroxy-4-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-10-hydroxy-4-(hydroxymethyl)-4,6a,6b,8a,11,11,14b-heptamethyl-1,2,3,4a,5,6,7,8,9,10,12,12a,14,14a-tetradecahydropicen-3-yl]oxy]-5-[(2S,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-3,4-dihydroxyoxane-2-carboxylic acid
Canonical SMILES	OC[C@H]1O[C@@H](O[C@H]2[C@@H](O[C@@H]([C@H]([C@@H]2O)O)C(=O)[O-])O[C@H]2CC[C@]3([C@H]([C@@]2(C)CO)CC[C@@]2([C@@H]3CC=C3[C@@]2(C)CC[C@@]2([C@H]3CC(C)(C)[C@H]([C@H]2O[C@@H]2OC[C@@H]([C@@H]([C@H]2O)O[C@@H]2O[C@H](CO)[C@H]([C@@H]([C@H]2O)O)O)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/C59H96O29/c1-54(2)16-23-22-8-9-29-56(4)12-11-30(83-53-45(38(72)37(71)43(85-53)48(77)78)87-52-44(36(70)33(67)27(19-62)82-52)86-51-40(74)35(69)32(66)26(18-61)81-51)57(5,21-63)28(56)10-13-59(29,7)58(22,6)15-14-55(23,3)47(46(54)76)88-49-41(75)42(24(64)20-79-49)84-50-39(73)34(68)31(65)25(17-60)80-50/h8,23-47,49-53,60-76H,9-21H2,1-7H3,(H,77,78)/p-1/t23-,24-,25+,26+,27+,28+,29+,30-,31+,32+,33-,34-,35-,36-,37-,38-,39+,40+,41+,42-,43-,44+,45+,46-,47+,49-,50-,51-,52-,53+,55+,56-,57+,58+,59+/m0/s1
Standard InCHIKey	XFXHYKZIZSNVSQ-TZRAUYBZSA-M
External Identifiers	ChEMBL [N/A]; PubChem [441950];
Reference of Component-Ingredient Pair	16503561

Occurrence of the ingredient across TCM components

Component ID	Latin Name	Pinyin Name	Chinese Name
TCMH834	Semen glycine max	Hei Dou	é»‘è±†

Ingredient ID: TCMC3434
Formula: C48H78O18

Common Name	Soyasaponin I
IUPAC Name	(2S,3S,4S,5R,6R)-6-[[(3S,4S,4aR,6aR,6bS,8aR,9R,12aS,14aR,14bR)-9-hydroxy-4-(hydroxymethyl)-4,6a,6b,8a,11,11,14b-heptamethyl-1,2,3,4a,5,6,7,8,9,10,12,12a,14,14a-tetradecahydropicen-3-yl]oxy]-5-[(2S,3R,4S,5R,6R)-4,5-dihydroxy-6-(hydroxymethyl)-3-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-2-yl]oxy-3,4-dihydroxyoxane-2-carboxylic acid
Canonical SMILES	OC[C@H]1O[C@@H](O[C@H]2[C@@H](O[C@@H]([C@H]([C@@H]2O)O)C(=O)[O-])O[C@H]2CC[C@]3([C@H]([C@@]2(C)CO)CC[C@@]2([C@@H]3CC=C3[C@@]2(C)CC[C@@]2([C@H]3CC(C)(C)C[C@H]2O)C)C)C)[C@@H]([C@H]([C@H]1O)O)O[C@@H]1O[C@@H](C)[C@@H]([C@H]([C@H]1O)O)O
Standard InCHI	InChI=1S/C48H78O18/c1-21-29(52)31(54)35(58)40(61-21)65-37-32(55)30(53)24(19-49)62-41(37)66-38-34(57)33(56)36(39(59)60)64-42(38)63-28-12-13-45(5)25(46(28,6)20-50)11-14-48(8)26(45)10-9-22-23-17-43(2,3)18-27(51)44(23,4)15-16-47(22,48)7/h9,21,23-38,40-42,49-58H,10-20H2,1-8H3,(H,59,60)/p-1/t21-,23-,24+,25+,26+,27+,28-,29-,30-,31+,32-,33-,34-,35+,36-,37+,38+,40-,41-,42+,44+,45-,46+,47+,48+/m0/s1
Standard InCHIKey	PTDAHAWQAGSZDD-IOVCITQVSA-M
External Identifiers	ChEMBL [CHEMBL511016]; PubChem [122097];
Reference of Component-Ingredient Pair	17455466

Occurrence of the ingredient across TCM components

Component ID	Latin Name	Pinyin Name	Chinese Name
TCMH834	Semen glycine max	Hei Dou	é»‘è±†
TCMH1020	Abrus fruticulosus	Ji Gu Cao	é¸¡éª¨è‰
TCMH1215	Sophora flavescens	Ku Shen	è‹¦å‚

Ingredient ID: TCMC3408
Formula: C30H50O3

Common Name	Soyasapogenol B
IUPAC Name	(3S,4S,4aR,6aR,6bS,8aR,9R,12aS,14aR,14bR)-4-(hydroxymethyl)-4,6a,6b,8a,11,11,14b-heptamethyl-1,2,3,4a,5,6,7,8,9,10,12,12a,14,14a-tetradecahydropicene-3,9-diol
Canonical SMILES	OC[C@@]1(C)[C@@H](O)CC[C@]2([C@H]1CC[C@@]1([C@@H]2CC=C2[C@@]1(C)CC[C@@]1([C@H]2CC(C[C@H]1O)(C)C)C)C)C
Standard InCHI	InChI=1S/C30H50O3/c1-25(2)16-20-19-8-9-22-27(4)12-11-23(32)28(5,18-31)21(27)10-13-30(22,7)29(19,6)15-14-26(20,3)24(33)17-25/h8,20-24,31-33H,9-18H2,1-7H3/t20-,21+,22+,23-,24+,26+,27-,28+,29+,30+/m0/s1
Standard InCHIKey	YOQAQNKGFOLRGT-UXXABWCISA-N
External Identifiers	ChEMBL [CHEMBL1762007]; PubChem [115012];
Reference of Component-Ingredient Pair	28771341

Occurrence of the ingredient across TCM components

Component ID	Latin Name	Pinyin Name	Chinese Name
TCMH834	Semen glycine max	Hei Dou	é»‘è±†
TCMH1814	Sophora subprostrata	Shan Dou Gen	å±±è±†æ ¹

Properties

Ingredient ID	Formulae	Name	MW	AlogP	MlogP	XlogP	# HBA	# HBD	PSA	# Rotatable Bond	# Ring	# Heacy Atom	Lipinski RO5 Violation
TCMC3408	C30H50O3	Soyasapogenol B	458.3759955	1.3478	4.43	8.336	3	3	60.69	1	5	33	1
TCMC3434	C48H78O18	Soyasaponin I	941.5109906	-3.9685	4.76	3.675	18	10	297.81	9	8	66	2
TCMC3863	C59H96O29	Soyasaponin A1	1267.595902	-8.0247	4.76	-1.522	29	17	476.34	15	10	88	3
TCMC3950	C21H21O12	Delphinidin-3-Glucoside	465.1033011	-4.2795	2.45	0.05	5	9	200.53	4	4	33	1
TCMC3966	C29H50O	Sitosterol,Î’-Sitosterol	414.3861662	1.3	4.54	11.595	1	1	20.23	6	4	30	1
TCMC4132	C6H6O6	Cis-Aconitic Acid	170.9929628	-2.5525	1.46	-2.477	6	0	120.39	4	0	12	0
TCMC4247	C30H48O2	Soyasapogenol C	440.3654308	2.2639	4.54	9.931	2	2	40.46	1	5	32	1
TCMC4324	C29H48O	Stigmasterol	412.3705162	1.2566	4.54	11.071	1	1	20.23	5	4	30	1
TCMC4331	C21H20O10	Genistein 7-Glucoside	432.1056468	-3.6021	2.67	-0.228	9	6	156.91	4	4	31	1
TCMC4372	C20H16O5	Sojagol	336.0997736	0.0525	3.11	3.543	1	1	68.9	0	5	25	0
TCMC4408	C28H48O	Campesterol,M-Cresol	400.3705162	1.9762	4.43	11.026	1	1	20.23	5	4	29	1
TCMC4591	C16H12O5	Glycitein	284.0684735	-1.4467	2.67	1.066	4	2	66.76	2	3	21	0
TCMC5336	C42H85NO5	Soyasphingosine B	683.6427748	-12.4621	5.42	16.53	6	5	110.02	40	0	48	2
TCMC5448	C43H87NO5	Soyasphingosine A	697.6584249	-12.7501	5.53	17.099	6	5	110.02	41	0	49	2
TCMC5959	C30H50O4	Soyasapogenol A	474.3709101	0.7747	4.32	7.102	4	4	80.92	1	5	34	1
TCMC6001	C30H48O3	Soyasapogenol E	456.3603454	1.5671	4.43	7.729	3	2	57.53	1	5	33	1
TCMC6372	C20H18O5	Hydroxyphaseollin	338.1154237	-0.6447	3.11	2.285	1	2	68.15	0	5	25	0
TCMC6464	C53H86O24	Soyasaponin A2	1105.543079	-6.2778	4.65	0.015	24	14	397.19	12	9	77	3
TCMC6753	C31H52O3	Soyasapogenol D	472.3916455	2.0822	4.54	8.11	3	2	49.69	2	5	34	1
TCMC6987	C48H78O19	Soyasaponin V	957.5059052	-4.4685	4.65	2.972	19	11	318.04	10	8	67	2
TCMC7000	C21H22O5	Glyceollin Iv	354.1467238	0.2731	3.22	2.874	1	2	68.15	3	4	26	0
TCMC7249	C48H78O19	Soyasaponin A3	957.5059052	-4.5416	4.65	2.441	19	11	318.04	9	8	67	2

Download Data

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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: Semen glycine max é»‘è±†

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: TCMC7249

Occurrence of the ingredient across TCM components

Ingredient ID: TCMC7000

Occurrence of the ingredient across TCM components

Ingredient ID: TCMC6987

Occurrence of the ingredient across TCM components

Ingredient ID: TCMC6753

Occurrence of the ingredient across TCM components

Ingredient ID: TCMC6464

Occurrence of the ingredient across TCM components

Ingredient ID: TCMC6372

Occurrence of the ingredient across TCM components

Ingredient ID: TCMC6001

Occurrence of the ingredient across TCM components

Ingredient ID: TCMC5959

Occurrence of the ingredient across TCM components

Ingredient ID: TCMC5448

Occurrence of the ingredient across TCM components

Ingredient ID: TCMC5336

Occurrence of the ingredient across TCM components

Ingredient ID: TCMC4591

Occurrence of the ingredient across TCM components

Ingredient ID: TCMC4408

Occurrence of the ingredient across TCM components

Ingredient ID: TCMC4372

Occurrence of the ingredient across TCM components

Ingredient ID: TCMC4331

Occurrence of the ingredient across TCM components

Ingredient ID: TCMC4324

Occurrence of the ingredient across TCM components

Ingredient ID: TCMC4247

Occurrence of the ingredient across TCM components

Ingredient ID: TCMC4132

Occurrence of the ingredient across TCM components

Ingredient ID: TCMC3966

Occurrence of the ingredient across TCM components

Ingredient ID: TCMC3950

Occurrence of the ingredient across TCM components

Ingredient ID: TCMC3863

Occurrence of the ingredient across TCM components

Ingredient ID: TCMC3434

Occurrence of the ingredient across TCM components

Ingredient ID: TCMC3408

Occurrence of the ingredient across TCM components

Properties

Download Data