Component: Zanthoxylum bungeanum 花椒


Description of the Component

Component ID
TCMH924
Latin Name
Zanthoxylum bungeanum
English Name
Bunge pricklyash
Chinese Pinyin Name
Hua Jiao
中文名
花椒
TCM Properties
Warm,Pungent
TCM Meridians
Spleen,Stomach,Kidney
Therapeutic Class English
For warming interior
Therapeutic Class Chinese
温里
Functions
warm the spleen and the stomach and relieve pain, kill worms, and relieve itching
Toxicity
NA
Geo-authentic habitats (道地产区)
Sichuan Province,Chongqing
Reference
Chinese Pharmacopoeia (2015)
Barcode ID
ITSAJ4650-14
Barcode Source
BOLDSYSTEMS

TCM Prescriptions with the Component

Prescription ID Prescription English Name Prescription Chinese Name
TCMF2240 Mume Pills 乌梅丸
TCMF2963 An Yang Hu Gu Yao Wine 安阳虎骨药酒
TCMF2009 Bitter Seng Itching Stoper Decoction 苦参止痒汤
TCMF2635 Boyun Tuiyi Pills 拨云退翳丸
TCMF1452 Boyun Tuiyi Pills 拨云退翳丸
TCMFx3140 Ca Xuan Yao Decoction 擦癣药水
TCMFx3795 Can Jian Yan Yao 蚕茧眼药
TCMF6024 Chang Chun Yao Wine 长春药酒
TCMF6032 Chang Chun Yi Shou Ointment 长春益寿膏
TCMFx2524 Cold Wheeze Pills 冷哮丸
TCMF2571 Combined Recipe WCXH Decoction
TCMF3700 Da Hu Zhuang Yuan Pills 打虎壮元丸
TCMFx172 E Zhang Feng Yao Shui 鹅掌风药水
TCMF3087 Er Yi Pills 二益丸
TCMFx3308 Feng Qie Ping Chuan Ointment 风茄平喘膏
TCMFx3651 Fu Ji Xi Ji 肤疾洗剂
TCMFx3961 Ge Hong Jiao Qi Decoction 葛洪脚气水
TCMF3614 Gu Ben Yan Ling Pills 固本延龄丸
TCMF3888 Guang Dong Shen Qu 广东神曲
TCMFx4090 Hai Long Ge Jie Oral Liquid 海龙蛤蚧口服液
TCMFx365 Hua Zheng Hui Sheng Tablet 化症回生片
TCMF2636 Huazheng Huisheng Tablets 化症回生片
TCMF4232 Hui Chun Wine 回春酒
TCMFx4285 Jian Shen Quan Lu Pills 健身全鹿丸
TCMF4589 Jiang Zhuo Jian Mei Tea 降浊健美茶
TCMF2459 JY Roundworm Decoction
TCMFx1070 Kang Fu Ointment 康妇软膏
TCMFx4893 Kang Fu Ruan Ointment 康妇软膏
TCMF4414 Ke Tong Ding 克痛酊
TCMF4783 Lao Fan Zhi Wan Ying Shen Qu 老范志万应神曲
TCMFx4682 Long Yan Bu Shen Wine 龙燕补肾酒
TCMF1358 Pill of Mume; Mume Pill 乌梅丸
TCMF5244 Qing Gong Chang Chun Capsules 清宫长春胶囊
TCMFx5174 Qu Feng Shi Zhi Tong Powder 祛风湿止痛散
TCMF5278 Quan Lu Da Bu Pills 全鹿大补丸
TCMF464 Quan Lu Pills 全鹿丸
TCMFx5288 Quan Lu Pills 全鹿丸
TCMFx5871 San Bian Bu Wine 三鞭补酒
TCMFx5886 Shao Lin Zheng Gu Jing 少林正骨精
TCMFx3551 Shen Rong Gu Ben Huan Shao Pills 参茸固本还少丸
TCMF5446 Shu Jin Zhi Tong Ding 舒筋止痛酊
TCMFx7218 Shuang Zi Shen Xi Oral Liquid 双子参洗液
TCMFx5181 Suo Yang Bu Shen Capsules 锁阳补肾胶囊
TCMFx5857 Tong Mai Jiang Zhi Tablets 通脉降脂片
TCMFx5125 Tong Zhong Ling 痛肿灵
TCMF978 Tong Luo Qu Tong Ointment 通络祛痛膏
TCMFx5168 Tu Su Oral Liquid 屠苏液
TCMFx5961 Wen Shen Quan Lu Pills 温肾全鹿丸
TCMFx5645 Wu Li Ba Han Powder 武力拔寒散
TCMF5269 Wu Mei Pills 乌梅丸
TCMFx6354 Xiao Tong Tie Ointment 消痛贴膏
TCMFx6106 Xin Xing Gou Pi Ointment 新型狗皮膏
TCMFx1189 Xuan Shi Solution 癣湿药水
TCMF6788 Yang Pi Powder 养脾散
TCMFx6199 Yao Zhi Gan Lan Yan 药制橄榄盐
TCMFx6306 Yu Biao Pills 鱼鳔丸
TCMFx6833 Zhang Zhou Shen Qu 漳州神曲
TCMFx6770 Zhi Bao San Bian Capsules 至宝三鞭胶囊
TCMFx6778 Zhi Bao San Bian Jing 至宝三鞭精
TCMFx6790 Zhi Bao San Bian Pills 至宝三鞭丸
TCMFx6784 Zhi Bao San Bian Wine 至宝三鞭酒
TCMF6149 Zhi Chuang Wai Xi Yao 痔疮外洗药
TCMF118 Zi Hua Shao Shang Ruan Ointment 紫花烧伤软膏

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
TCMT114 CNR2 Cannabinoid CB2 receptor GPCR P34972
TCMT115 CNR1 Cannabinoid CB1 receptor GPCR P21554
TCMT125 GBA Beta-glucocerebrosidase Hydrolase P04062
TCMT126 TERT Telomerase reverse transcriptase Transferase O14746
TCMT13 APEX1 DNA-(apurinic or apyrimidinic site) lyase Lyase P27695
TCMT130 ALOX5 Arachidonate 5-lipoxygenase Oxidoreductase P09917
TCMT131 ACHE Acetylcholinesterase Hydrolase P22303
TCMT132 BCHE Butyrylcholinesterase Hydrolase P06276
TCMT133 CA1 Carbonic anhydrase I Lyase P00915
TCMT134 CA2 Carbonic anhydrase II Lyase P00918
TCMT135 CA14 Carbonic anhydrase XIV Lyase Q9ULX7
TCMT136 CA12 Carbonic anhydrase XII Lyase O43570
TCMT137 CA9 Carbonic anhydrase IX Lyase Q16790
TCMT138 CA7 Carbonic anhydrase VII Lyase P43166
TCMT139 CA6 Carbonic anhydrase VI Lyase P23280
TCMT140 CA5B Carbonic anhydrase VB Lyase Q9Y2D0
TCMT141 CA5A Carbonic anhydrase VA Lyase P35218
TCMT142 CA4 Carbonic anhydrase IV Lyase P22748
TCMT143 CA3 Carbonic anhydrase III Lyase P07451
TCMT150 RORC Nuclear receptor ROR-gamma Nuclear receptor P51449
TCMT151 PRKCA Protein kinase C alpha Kinase P17252
TCMT152 PRKCB Protein kinase C beta Kinase P05771
TCMT153 PRKCG Protein kinase C gamma Kinase P05129
TCMT154 PRKCD Protein kinase C delta Kinase Q05655
TCMT155 PRKCE Protein kinase C epsilon Kinase Q02156
TCMT156 CYP19A1 Cytochrome P450 19A1 Oxidoreductase P11511
TCMT158 EPHX2 Epoxide hydratase Lyase P34913
TCMT162 UGT1A1 UDP-glucuronosyltransferase 1-1 Transferase P22309
TCMT17 POLB DNA polymerase beta Transferase P06746
TCMT174 HSD11B1 11-beta-hydroxysteroid dehydrogenase 1 Oxidoreductase P28845
TCMT176 SOAT1 Acyl coenzyme A:cholesterol acyltransferase 1 Transferase P35610
TCMT18 GAA Lysosomal alpha-glucosidase Hydrolase P10253
TCMT187 AR Androgen Receptor Nuclear receptor P10275
TCMT194 MAP3K7 Mitogen-activated protein kinase kinase kinase 7 Kinase O43318
TCMT195 MAP2K1 Dual specificity mitogen-activated protein kinase kinase 1 Kinase Q02750
TCMT196 MAP2K7 Dual specificity mitogen-activated protein kinase kinase 7 Kinase O14733
TCMT2 MAPT Microtubule-associated protein tau Unclassified P10636
TCMT207 BACE1 Beta-secretase 1 Protease P56817
TCMT210 CES2 Carboxylesterase 2 Hydrolase O00748
TCMT211 CES1 Acyl coenzyme A:cholesterol acyltransferase Transferase P23141
TCMT212 SRC Tyrosine-protein kinase SRC Kinase P12931
TCMT215 CYP1A1 Cytochrome P450 1A1 Oxidoreductase P04798
TCMT217 CYP2C8 Cytochrome P450 2C8 Oxidoreductase P10632
TCMT219 CYP1A2 Cytochrome P450 1A2 Oxidoreductase P05177
TCMT22 ALPI Intestinal alkaline phosphatase Hydrolase P09923
TCMT220 CYP2J2 Cytochrome P450 2J2 Oxidoreductase P51589
TCMT223 AKR1B1 Aldose reductase Oxidoreductase P15121
TCMT225 CA13 Carbonic anhydrase XIII Lyase Q8N1Q1
TCMT226 PDPK1 3-phosphoinositide dependent protein kinase-1 Kinase O15530
TCMT23 ALPL Alkaline phosphatase, tissue-nonspecific isozyme Hydrolase P05186
TCMT239 PIM1 Serine/threonine-protein kinase PIM1 Kinase P11309
TCMT240 AMY1A Salivary alpha-amylase Unclassified P04745
TCMT248 CXCL8 Interleukin-8 Unclassified P10145
TCMT249 CDK6 Cyclin-dependent kinase 6 Kinase Q00534
TCMT257 CYP1B1 Cytochrome P450 1B1 Oxidoreductase Q16678
TCMT260 FLT3 Tyrosine-protein kinase receptor FLT3 Kinase P36888
TCMT261 DAPK1 Death-associated protein kinase 1 Kinase P53355
TCMT265 GSK3B Glycogen synthase kinase-3 beta Kinase P49841
TCMT27 DRD1 Dopamine D1 receptor GPCR P21728
TCMT276 SLCO2B1 Solute carrier organic anion transporter family member 2B1 Transporter O94956
TCMT277 SLCO1B3 Solute carrier organic anion transporter family member 1B3 Transporter Q9NPD5
TCMT278 SLCO1B1 Solute carrier organic anion transporter family member 1B1 Transporter Q9Y6L6
TCMT280 AKR1B10 Aldo-keto reductase family 1 member B10 Oxidoreductase O60218
TCMT281 DPP4 Dipeptidyl peptidase IV Unclassified P27487
TCMT297 FABP4 Fatty acid binding protein adipocyte Unclassified P15090
TCMT298 FABP3 Fatty acid binding protein muscle Hydrolase P05413
TCMT3 ALOX15 Arachidonate 15-lipoxygenase Oxidoreductase P16050
TCMT30 PTGS2 Cyclooxygenase-2 Oxidoreductase P35354
TCMT306 MMP2 Matrix metalloproteinase-2 Hydrolase P08253
TCMT307 KCNH2 HERG Ion channel Q12809
TCMT31 CYP2C19 Cytochrome P450 2C19 Oxidoreductase P33261
TCMT320 MMP3 Matrix metalloproteinase 3 Hydrolase P08254
TCMT321 MMP9 Matrix metalloproteinase 9 Hydrolase P14780
TCMT322 MMP13 Matrix metalloproteinase 13 Hydrolase P45452
TCMT327 TRPV1 Vanilloid receptor Ion channel Q8NER1
TCMT33 CYP3A4 Cytochrome P450 3A4 Oxidoreductase P08684
TCMT331 PLG Plasminogen Unclassified P00747
TCMT34 CYP2D6 Cytochrome P450 2D6 Oxidoreductase P10635
TCMT354 AURKA Serine/threonine-protein kinase Aurora-A Kinase O14965
TCMT355 CSNK1D Casein kinase I delta Kinase P48730
TCMT359 FYN Tyrosine-protein kinase FYN Kinase P06241
TCMT36 HTR1A Serotonin 1a (5-HT1a) receptor GPCR P08908
TCMT369 IGF1R Insulin-like growth factor I receptor Kinase P08069
TCMT370 KDR Vascular endothelial growth factor receptor 2 Kinase P35968
TCMT374 AURKB Serine/threonine-protein kinase Aurora-B Kinase Q96GD4
TCMT377 INSR Insulin receptor Kinase P06213
TCMT378 LIMK1 LIM domain kinase 1 Kinase P53667
TCMT384 GRK6 G protein-coupled receptor kinase 6 Kinase P43250
TCMT388 AXL Tyrosine-protein kinase receptor UFO Kinase P30530
TCMT39 PDE5A Phosphodiesterase 5A Hydrolase O76074
TCMT393 MERTK Proto-oncogene tyrosine-protein kinase MER Kinase Q12866
TCMT401 MET Hepatocyte growth factor receptor Kinase P08581
TCMT402 ALK ALK tyrosine kinase receptor Kinase Q9UM73
TCMT407 MYLK Myosin light chain kinase, smooth muscle Kinase Q15746
TCMT41 IDH1 Isocitrate dehydrogenase [NADP] cytoplasmic Oxidoreductase O75874
TCMT417 DYRK2 Dual-specificity tyrosine-phosphorylation regulated kinase 2 Kinase Q92630
TCMT418 EPHB4 Ephrin type-B receptor 4 Kinase P54760
TCMT42 KMT2A Histone-lysine N-methyltransferase MLL Transferase Q03164
TCMT422 CAMK2B CaM kinase II beta Kinase Q13554
TCMT423 EGFR Epidermal growth factor receptor erbB1 Kinase P00533
TCMT434 JAK2 Tyrosine-protein kinase JAK2 Kinase O60674
TCMT436 NUAK1 NUAK family SNF1-like kinase 1 Kinase O60285
TCMT44 GLO1 Glyoxalase I Lyase Q04760
TCMT441 PTK2 Focal adhesion kinase 1 Kinase Q05397
TCMT445 NEK2 Serine/threonine-protein kinase NEK2 Kinase P51955
TCMT45 APP Beta amyloid A4 protein Unclassified P05067
TCMT457 FLT4 Vascular endothelial growth factor receptor 3 Kinase P35916
TCMT458 HASPIN Serine/threonine-protein kinase haspin Kinase Q8TF76
TCMT46 F3 Coagulation factor III Unclassified P13726
TCMT460 MAPKAPK2 MAP kinase-activated protein kinase 2 Kinase P49137
TCMT462 NEK6 Serine/threonine-protein kinase NEK6 Kinase Q9HC98
TCMT466 MAPK9 c-Jun N-terminal kinase 2 Kinase P45984
TCMT47 BCL2 Apoptosis regulator Bcl-2 Ion channel P10415
TCMT473 PIM3 Serine/threonine-protein kinase PIM3 Kinase Q86V86
TCMT479 AKT1 Serine/threonine-protein kinase AKT Kinase P31749
TCMT484 PLK1 Serine/threonine-protein kinase PLK1 Kinase P53350
TCMT502 TEK Tyrosine-protein kinase TIE-2 Kinase Q02763
TCMT506 PTK2B Protein tyrosine kinase 2 beta Kinase Q14289
TCMT507 MAPK14 MAP kinase p38 alpha Kinase Q16539
TCMT508 SYK Tyrosine-protein kinase SYK Kinase P43405
TCMT510 KIT Stem cell growth factor receptor Kinase P10721
TCMT536 PDGFRB Platelet-derived growth factor receptor beta Kinase P09619
TCMT558 TOP2A DNA topoisomerase II alpha Isomerase P11388
TCMT592 XDH Xanthine dehydrogenase Oxidoreductase P47989
TCMT6 NFKB1 Nuclear factor NF-kappa-B p105 subunit Transcription factor P19838
TCMT60 FASN Fatty acid synthase Unclassified P49327
TCMT601 F2 Thrombin Unclassified P00734
TCMT609 CTSL Cathepsin L Unclassified P07711
TCMT629 ABCC1 Multidrug resistance-associated protein 1 Transporter P33527
TCMT63 PPARA Peroxisome proliferator-activated receptor alpha Nuclear receptor Q07869
TCMT64 PPARD Peroxisome proliferator-activated receptor delta Nuclear receptor Q03181
TCMT65 HSD17B1 Estradiol 17-beta-dehydrogenase 1 Oxidoreductase P14061
TCMT66 HSD17B2 Estradiol 17-beta-dehydrogenase 2 Oxidoreductase P37059
TCMT67 PPARG Peroxisome proliferator-activated receptor gamma Nuclear receptor P37231
TCMT69 THRB Thyroid hormone receptor beta-1 Nuclear receptor P10828
TCMT734 MMP12 Matrix metalloproteinase 12 Hydrolase P39900
TCMT739 GPR35 G-protein coupled receptor 35 GPCR Q9HC97
TCMT740 PIK3CG PI3-kinase p110-gamma subunit Transferase P48736
TCMT747 ABCG2 ATP-binding cassette sub-family G member 2 Transporter Q9UNQ0
TCMT784 AVPR2 Vasopressin V2 receptor GPCR P30518
TCMT785 CXCR1 Interleukin-8 receptor A GPCR P25024
TCMT786 CCR4 C-C chemokine receptor type 4 GPCR P51679
TCMT791 PKN1 Protein kinase N1 Kinase Q16512
TCMT793 PYGL Liver glycogen phosphorylase Transferase P06737
TCMT8 KDM4E Lysine-specific demethylase 4D-like Oxidoreductase B2RXH2
TCMT80 MAPK1 MAP kinase ERK2 Kinase P28482
TCMT808 FABP5 Fatty acid binding protein epidermal Unclassified Q01469
TCMT809 FABP2 Fatty acid binding protein intestinal Unclassified P12104
TCMT81 ALOX12 Arachidonate 12-lipoxygenase Oxidoreductase P18054
TCMT810 TLR2 Toll-like receptor 2 Unclassified O60603
TCMT82 ESR1 Estrogen receptor alpha Nuclear receptor P03372
TCMT83 CD38 Lymphocyte differentiation antigen CD38 Unclassified P28907
TCMT87 CYP2C9 Cytochrome P450 2C9 Oxidoreductase P11712
TCMT95 MPG DNA-3-methyladenine glycosylase Hydrolase P29372


Targeted Pathogenic Microbes by the Ingredient of Component

Target ID Target Name
TCMT1090 Human immunodeficiency virus type 1 integrase
TCMT1092 Fatty acid synthase
TCMT1093 Enoyl-acyl-carrier protein reductase
TCMT1094 3-oxoacyl-acyl-carrier protein reductase
TCMT1099 Neuraminidase
TCMT1108 Integrase
TCMT1109 Reverse transcriptase
TCMT1121 Sialidase
TCMT1136 Neuraminidase
TCMT1175 Human immunodeficiency virus
TCMT1189 Pseudomonas fluorescens
TCMT1208 Escherichia coli K12
TCMT1212 Verticillium dahliae
TCMT1215 Pseudomonas aeruginosa PAO1
TCMT1218 Staphylococcus aureus
TCMT1222 Plasmodium falciparum D6
TCMT1223 Staphylococcus epidermidis
TCMT1229 Enterococcus faecalis
TCMT1245 Phytophthora cactorum
TCMT1246 Escherichia coli
TCMT1251 Candida albicans
TCMT1253 Penicillium chrysogenum
TCMT1286 Bacillus cereus
TCMT1346 Helicobacter pylori
TCMT1349 Helicobacter pylori SS1
TCMT1361 Neisseria meningitidis
TCMT1382 Plasmodium falciparum (isolate K1 / Thailand)
TCMT1393 Vibrio sp.
TCMT1408 Colletotrichum gloeosporioides
TCMT1412 Salmonella typhimurium
TCMT1438 Plasmodium falciparum
TCMT1439 Mycobacterium smegmatis
TCMT1442 Leishmania donovani
TCMT1443 Leishmania amazonensis
TCMT1454 Bacillus subtilis
TCMT1455 Mycobacterium tuberculosis H37Rv
TCMT1458 Filobasidiella neoformans
TCMT1462 Streptococcus mutans
TCMT1463 Mycobacterium tuberculosis
TCMT1464 Hepatitis B virus
TCMT1465 Entamoeba histolytica

Ingredient Structrues

Ingredient ID: TCMC960
Formula: C10H12O

Ingredient ID: TCMC954
Formula: C4H6O

Ingredient ID: TCMC925
Formula: C12H22O2

Ingredient ID: TCMC924
Formula: C10H20O

Ingredient ID: TCMC922
Formula: C10H16O

Ingredient ID: TCMC913
Formula: C15H14O6

Ingredient ID: TCMC892
Formula: C21H18NO4

Ingredient ID: TCMC878
Formula: C15H14O6

Ingredient ID: TCMC844
Formula: C4H10O

Ingredient ID: TCMC836
Formula: C4H6O2

Ingredient ID: TCMC833
Formula: C4H6O

Ingredient ID: TCMC801
Formula: C29H50O

Ingredient ID: TCMC7305
Formula: C28H32O17

Ingredient ID: TCMC7229
Formula: C14H20O3

Ingredient ID: TCMC7043
Formula: C32H46N2O3

Ingredient ID: TCMC7042
Formula: C32H48N2O4

Ingredient ID: TCMC696
Formula: C10H12O

Ingredient ID: TCMC6825
Formula: C21H18N2O4

Ingredient ID: TCMC671
Formula: C10H16

Ingredient ID: TCMC6310
Formula: C13H22O

Ingredient ID: TCMC627
Formula: C3H4O

Ingredient ID: TCMC615
Formula: C10H12O4

Ingredient ID: TCMC6113
Formula: C21H19NO6

Ingredient ID: TCMC6103
Formula: C18H29NO2

Ingredient ID: TCMC607
Formula: C2H4O

Ingredient ID: TCMC6043
Formula: C24H34O8

Ingredient ID: TCMC5801
Formula: C32H48N2O3

Ingredient ID: TCMC548
Formula: C28H34O15

Ingredient ID: TCMC5446
Formula: C25H30O6

Ingredient ID: TCMC4929
Formula: C10H18O

Ingredient ID: TCMC4856
Formula: C20H24O5

Ingredient ID: TCMC4809
Formula: C19H19NO4

Ingredient ID: TCMC4741
Formula: C19H15N3O2

Ingredient ID: TCMC4690
Formula: C20H23NO3

Ingredient ID: TCMC4654
Formula: C20H16NO4

Ingredient ID: TCMC4647
Formula: C18H27NO

Ingredient ID: TCMC4527
Formula: C19H18O5

Ingredient ID: TCMC4519
Formula: C20H15NO4

Ingredient ID: TCMC4508
Formula: C18H31NO2

Ingredient ID: TCMC4497
Formula: C18H25NO

Ingredient ID: TCMC4445
Formula: C17H21NO5

Ingredient ID: TCMC4444
Formula: C13H15NO

Ingredient ID: TCMC4442
Formula: C16H17NO3

Ingredient ID: TCMC4185
Formula: C19H21NO3

Ingredient ID: TCMC4113
Formula: C30H38O6

Ingredient ID: TCMC3901
Formula: C10H18O

Ingredient ID: TCMC387
Formula: C10H16O

Ingredient ID: TCMC3498
Formula: C17H23NO

Ingredient ID: TCMC3369
Formula: C19H17N3O2

Ingredient ID: TCMC330
Formula: C6H8O

Ingredient ID: TCMC304
Formula: C10H18O

Ingredient ID: TCMC3
Formula: C15H14O6

Ingredient ID: TCMC2877
Formula: C21H18NO4

Ingredient ID: TCMC284
Formula: C10H16

Ingredient ID: TCMC2822
Formula: C15H24

Ingredient ID: TCMC2815
Formula: C15H24

Ingredient ID: TCMC280
Formula: C10H12O

Ingredient ID: TCMC274
Formula: C6H14O

Ingredient ID: TCMC2560
Formula: C9H20O

Ingredient ID: TCMC2550
Formula: C15H24

Ingredient ID: TCMC2541
Formula: C10H18O

Ingredient ID: TCMC2539
Formula: C10H16

Ingredient ID: TCMC2484
Formula: C10H18O

Ingredient ID: TCMC24
Formula: C15H14O6

Ingredient ID: TCMC2366
Formula: C15H24O

Ingredient ID: TCMC2354
Formula: C10H14O

Ingredient ID: TCMC2324
Formula: C10H16

Ingredient ID: TCMC2243
Formula: C10H12O4

Ingredient ID: TCMC2234
Formula: C19H14O5

Ingredient ID: TCMC2171
Formula: C7H8

Ingredient ID: TCMC2147
Formula: C18H33NO2

Ingredient ID: TCMC2120
Formula: C17H24O9

Ingredient ID: TCMC2086
Formula: C14H13NO4

Ingredient ID: TCMC2031
Formula: C27H30O16

Ingredient ID: TCMC1986
Formula: C21H20O11

Ingredient ID: TCMC1982
Formula: C15H10O7

Ingredient ID: TCMC1830
Formula: C16H32O2

Ingredient ID: TCMC1788
Formula: C18H34O2

Ingredient ID: TCMC1739
Formula: C12H20O2

Ingredient ID: TCMC1738
Formula: C15H26O

Ingredient ID: TCMC1737
Formula: C10H18O

Ingredient ID: TCMC1712
Formula: C15H24O

Ingredient ID: TCMC170
Formula: C10H14O

Ingredient ID: TCMC1608
Formula: C10H16

Ingredient ID: TCMC1580
Formula: C2H3NS

Ingredient ID: TCMC1578
Formula: C11H14O2

Ingredient ID: TCMC1544
Formula: C10H20O

Ingredient ID: TCMC1493
Formula: C10H18O

Ingredient ID: TCMC1492
Formula: C10H18O

Ingredient ID: TCMC1476
Formula: C10H20O

Ingredient ID: TCMC1440
Formula: C14H13NO4

Ingredient ID: TCMC1385
Formula: C4H10O

Ingredient ID: TCMC1384
Formula: C18H29NO2

Ingredient ID: TCMC1356
Formula: C21H20O12

Ingredient ID: TCMC1348
Formula: C18H27NO2

Ingredient ID: TCMC1347
Formula: C18H27NO2

Ingredient ID: TCMC1345
Formula: C16H25NO2

Ingredient ID: TCMC1344
Formula: C16H25NO2

Ingredient ID: TCMC1321
Formula: C28H34O15

Ingredient ID: TCMC13
Formula: C15H14O6

Ingredient ID: TCMC1295
Formula: C20H18O11

Ingredient ID: TCMC1239
Formula: C12H20O2

Ingredient ID: TCMC1238
Formula: C10H18O

Ingredient ID: TCMC1159
Formula: C10H12O2

Ingredient ID: TCMC1157
Formula: C10H18O

Ingredient ID: TCMC1134
Formula: C10H12O

Ingredient ID: TCMC1047
Formula: C21H19NO4

Properties

Ingredient ID Formulae Name MW AlogP MlogP XlogP # HBA # HBD PSA # Rotatable Bond # Ring # Heacy Atom Lipinski RO5 Violation
TCMC3 C15H14O6 (-)-Catechin 290.08 -2.494 2.45 0.406 1 5 110.38 6 3 21 0
TCMC13 C15H14O6 (-)-Epicatechin 290.08 -2.494 2.45 0.406 1 5 110.38 6 3 21 0
TCMC24 C15H14O6 (+)-Epicatechin 290.08 -2.494 2.45 0.406 1 5 110.38 6 3 21 0
TCMC170 C10H14O (S)(+)Carvone 150.1 1.5954 2.45 1.756 1 0 17.07 3 1 11 0
TCMC274 C6H14O 1-Hexanol 102.1 -1.5494 2.01 1.989 1 1 20.23 6 0 7 0
TCMC280 C10H12O 1-Methoxy-4-[(Z)-Prop-1-Enyl]Benzene 148.09 0.8555 2.45 3.979 0 0 9.23 4 1 11 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
TCMC304 C10H18O 2-(4-Methylcyclohex-3-En-1-Yl)Propan-2-Ol 154.14 1.1223 2.45 2.369 1 1 20.23 5 1 11 0
TCMC330 C6H8O 2,4-Hexadienal 96.06 1.076 2.01 1.511 1 0 17.07 3 0 7 0
TCMC387 C10H16O 2-Methyl-5-Prop-1-En-2-Ylcyclohex-2-En-1-Ol 152.12 1.5693 2.45 1.699 1 1 20.23 4 1 11 0
TCMC548 C28H34O15 5-Hydroxy-2-(3-Hydroxy-4-Methoxyphenyl)-7-[3,4,5-Trihydroxy-6-[(3,4,5-Trihydroxy-6-Methyloxan-2-Yl)Oxymethyl]Oxan-2-Yl]Oxy-2,3-Dihydrochromen-4-One 610.19 -4.86 2.89 -1.489 10 8 234.29 17 5 43 1
TCMC607 C2H4O Acetaldehyde 44.03 -0.1825 1.57 0.334 1 0 17.07 1 0 3 0
TCMC615 C10H12O4 Acetosyringone 196.07 -0.8178 2.12 0.447 1 1 55.76 7 1 14 0
TCMC627 C3H4O Acrolein 56.03 0.4084 1.68 0.293 1 0 17.07 1 0 4 0
TCMC671 C10H16 Alpha-Pinene 136.13 1.5162 2.56 4.177 0 0 0 3 1 10 0
TCMC696 C10H12O Anethole 148.09 0.8555 2.45 3.979 0 0 9.23 4 1 11 0
TCMC801 C29H50O Beta-Sitosterol 414.39 1.3 4.54 11.595 1 1 20.23 13 4 30 1
TCMC833 C4H6O But-3-En-2-One 70.04 0.3469 1.79 0.474 1 0 17.07 2 0 5 0
TCMC836 C4H6O2 Butanedione 86.04 -0.5078 1.68 -0.164 2 0 34.14 3 0 6 0
TCMC844 C4H10O Butyl Alcohol 74.07 -0.9734 1.79 0.851 1 1 20.23 4 0 5 0
TCMC878 C15H14O6 Catechin 290.08 -2.494 2.45 0.406 1 5 110.38 6 3 21 0
TCMC892 C21H18NO4 Chelerythrine 348.12 -1.7479 3.22 3.37 0 0 40.8 5 5 26 0
TCMC913 C15H14O6 Cianidanol 290.08 -2.494 2.45 0.406 1 5 110.38 6 3 21 0
TCMC922 C10H16O Citral 152.12 2.4893 2.45 2.701 1 0 17.07 7 0 11 0
TCMC924 C10H20O Citronellol 156.15 1.4641 2.45 3.286 1 1 20.23 9 0 11 0
TCMC925 C12H22O2 Citronellyl Acetate 198.16 1.8432 2.56 4.026 2 0 26.3 11 0 14 0
TCMC954 C4H6O Crotonaldehyde 70.04 0.6082 1.79 0.817 1 0 17.07 2 0 5 0
TCMC960 C10H12O Cuminaldehyde 148.09 0.3805 2.45 4.48 1 0 17.07 4 1 11 0
TCMC1047 C21H19NO4 Dihydrochelerythrine 349.13 -0.2792 3.22 3.232 1 0 40.16 5 5 26 0
TCMC1134 C10H12O Estragole 148.09 0.9769 2.45 3.658 0 0 9.23 4 1 11 0
TCMC1157 C10H18O Eucalyptol 154.14 1.3109 2.45 2.595 1 0 9.23 3 0 11 0
TCMC1159 C10H12O2 Eugenol 164.08 0.5166 2.34 2.484 0 1 29.46 5 1 12 0
TCMC1238 C10H18O Geraniol 154.14 2.3397 2.45 2.524 1 1 20.23 8 0 11 0
TCMC1239 C12H20O2 Geranyl Acetate 196.15 2.7188 2.56 3.264 2 0 26.3 10 0 14 0
TCMC1295 C20H18O11 Guajaverin 434.08 -4.3814 2.45 -0.111 6 7 186.37 10 4 31 1
TCMC1321 C28H34O15 Hesperidin 610.19 -4.86 2.89 -1.489 10 8 234.29 17 5 43 1
TCMC1344 C16H25NO2 Hydroxy-Alpha-Sanshool 263.19 2.5548 2.89 4.26 3 2 52.82 13 0 19 0
TCMC1345 C16H25NO2 Hydroxy-Beta-Sanshool 263.19 2.5548 2.89 4.26 3 2 52.82 13 0 19 0
TCMC1347 C18H27NO2 Hydroxy-Gamma-Isosanshool 289.2 3.0226 3.11 4.954 3 2 52.82 14 0 21 0
TCMC1348 C18H27NO2 Hydroxy-Gamma-Sanshool 289.2 3.0226 3.11 4.954 3 2 52.82 14 0 21 0
TCMC1356 C21H20O12 Hyperoside 464.1 -4.8921 2.45 -0.354 7 8 206.6 12 4 33 1
TCMC1384 C18H29NO2 Isobungeanool 291.22 1.941 3.11 5.41 3 2 52.82 15 0 21 1
TCMC1385 C4H10O Isobutanol 74.07 0.1242 1.79 0.579 1 1 20.23 4 0 5 0
TCMC1440 C14H13NO4 Kokusaginine 259.08 -0.3095 2.45 1.624 1 0 53.72 6 3 19 0
TCMC1476 C10H20O Levomenthol 156.15 0.6563 2.45 3.211 1 1 20.23 5 1 11 0
TCMC1492 C10H18O Linalool 154.14 2.4692 2.45 2.468 1 1 20.23 8 0 11 0
TCMC1493 C10H18O Linalool (+) 154.14 2.4692 2.45 2.468 1 1 20.23 8 0 11 0
TCMC1544 C10H20O Menthol 156.15 0.6563 2.45 3.211 1 1 20.23 5 1 11 0
TCMC1578 C11H14O2 Methyleugenol 178.1 0.9251 2.45 3.003 0 0 18.46 6 1 13 0
TCMC1580 C2H3NS Methylisothiocyanate 73 0.0303 1.46 1.618 1 0 44.45 1 0 4 0
TCMC1608 C10H16 Myrcene 136.13 3.0936 2.56 4.17 0 0 0 6 0 10 0
TCMC1712 C15H24O 220.18 1.9144 3 4.607 1 0 12.53 3 3 16 0
TCMC1737 C10H18O Nerol 154.14 2.3397 2.45 2.524 1 1 20.23 8 0 11 0
TCMC1738 C15H26O Nerolidol 222.2 3.7014 3 4.29 1 1 20.23 12 0 16 0
TCMC1739 C12H20O2 Neryl Acetate 196.15 2.7188 2.56 3.264 2 0 26.3 10 0 14 0
TCMC1788 C18H34O2 Oleic Acid 282.26 -2.3427 3.22 8.192 2 1 37.3 17 0 20 2
TCMC1830 C16H32O2 Palmitic Acid 256.24 -3.8977 3 7.57 2 1 37.3 16 0 18 2
TCMC1982 C15H10O7 Quercetin 302.04 -2.8012 2.34 1.381 2 5 127.45 6 3 22 0
TCMC1986 C21H20O11 Quercitrin 448.1 -4.3921 2.56 0.349 6 7 186.37 11 4 32 1
TCMC2031 C27H30O16 Rutin 610.15 -6.139 2.67 -1.188 11 10 265.52 17 5 43 2
TCMC2086 C14H13NO4 Skimmianine 259.08 -0.3095 2.45 1.624 1 0 53.72 6 3 19 0
TCMC2120 C17H24O9 Syringin 372.14 -2.2917 2.34 -0.417 6 5 138.07 14 2 26 0
TCMC2147 C18H33NO2 Tetrahydrobungeanool 295.25 -1.0406 3.11 6.253 3 2 52.82 17 0 21 2
TCMC2171 C7H8 Toluene 92.06 0.642 2.23 4.385 0 0 0 1 1 7 0
TCMC2234 C19H14O5 Vulpinic Acid 322.08 -0.5454 3 6.984 5 1 72.83 6 3 24 1
TCMC2243 C10H12O4 Xanthoxylin 196.07 -0.8178 2.12 0.876 1 1 55.76 7 1 14 0
TCMC2324 C10H16 Limonene 136.13 2.1424 2.56 3.729 0 0 0 3 1 10 0
TCMC2354 C10H14O (4-Propan-2-Ylphenyl)Methanol 150.1 0.1242 2.45 3.809 1 1 20.23 5 1 11 0
TCMC2366 C15H24O 220.18 1.9144 3 4.607 1 0 12.53 3 3 16 0
TCMC2484 C10H18O Terpineol 154.14 1.1223 2.45 1.947 1 1 20.23 5 1 11 0
TCMC2539 C10H16 Gamma-Terpinene 136.13 2.4017 2.56 3.852 0 0 0 4 1 10 0
TCMC2541 C10H18O Alpha-Terpineol 154.14 1.1223 2.45 2.369 1 1 20.23 5 1 11 0
TCMC2550 C15H24 (+)-Germacrene D 204.19 2.7967 3.11 6.294 0 0 0 4 1 15 1
TCMC2560 C9H20O Nonanol 144.15 -2.4134 2.34 3.696 1 1 20.23 9 0 10 0
TCMC2815 C15H24 Caryophyllene 204.19 3.2289 3.11 6.044 0 0 0 3 2 15 1
TCMC2822 C15H24 Alpha-Humulone 204.19 4.1708 3.11 5.94 0 0 0 4 1 15 1
TCMC2877 C21H18NO4 Nitidine 348.1235831 -1.7479 3.22 3.37 0 0 40.8 2 5 26 0
TCMC3369 C19H17N3O2 Hydroxyevodiamine 319.1320768 -1.2296 3 4.256 5 2 65.2 3 4 24 0
TCMC3498 C17H23NO Schinifoline 257.1779644 -1.7245 3.11 5.254 2 0 17.07 6 2 19 1
TCMC3901 C10H18O Α-Terpineol 154.1357652 1.1223 2.45 2.369 1 1 20.23 1 1 11 0
TCMC4113 C30H38O6 (+)-Pinoresinol-Di-3,3-Dimethylallyl Ether 494.2668389 1.7258 4.1 5.124 2 0 55.38 10 4 36 1
TCMC4185 C19H21NO3 Lemairamin 311.1521435 -0.1101 3.11 5.439 2 1 47.56 8 2 23 1
TCMC4442 C16H17NO3 Zanthobungeanine 271.1208434 -0.0872 2.78 2.493 3 0 35.53 1 3 20 0
TCMC4444 C13H15NO Zanthonitrile 201.1153641 1.4832 2.67 2.893 1 0 33.02 4 1 15 0
TCMC4445 C17H21NO5 Zascanol Epoxide 319.1419728 -1.483 2.67 1.005 5 1 68.29 5 3 23 0
TCMC4497 C18H25NO Dehydro-Γ-Sanshool 271.1936144 3.7137 3.22 4.834 2 1 29.1 10 0 20 0
TCMC4508 C18H31NO2 Dihydrobungeanool 293.2354792 0.7614 3.11 5.319 3 2 49.33 12 0 21 2
TCMC4519 C20H15NO4 7,9-Dimethoxy-2,3-Methylendioxybenzophenanthridine 333.100108 -0.4063 3.11 3.243 1 0 49.81 2 5 25 0
TCMC4527 C19H18O5 Ailanthoidol 326.1154237 -0.6989 3 2.679 1 2 72.06 5 3 24 0
TCMC4647 C18H27NO (2E,4E,8E,10E,12E)-N-Isobutyl-2,4,8,10,12-Tetradecapentaenamide 273.2092645 3.1327 3.22 5.446 2 1 29.1 10 0 20 1
TCMC4654 C20H16NO4 Isofagaridine 334.107933 -2.1564 3.11 2.851 0 1 51.8 1 5 25 0
TCMC4690 C20H23NO3 Lemairamide 325.1677936 -0.0078 3.22 5.581 2 0 38.77 8 2 24 1
TCMC4741 C19H15N3O2 1-Methoxyrutaecarpine 317.1164267 -0.8051 3 3.296 4 1 57.69 1 5 24 0
TCMC4809 C19H19NO4 Armatamide 325.1314081 -0.361 3 3.656 2 1 56.79 7 3 24 0
TCMC4856 C20H24O5 Schinilenol 344.1623739 1.9805 3.11 3.678 2 1 55.76 7 2 25 0
TCMC4929 C10H18O (R)-P-Menth-1-En-4-Ol,Terpinen-4-Ol 154.1357652 1.1223 2.45 1.947 1 1 20.23 1 1 11 0
TCMC5446 C25H30O6 (+)-Pinoresinol-3,3-Dimethylallyl Ether 426.2042387 -0.1482 3.55 3.404 2 1 66.38 7 4 31 0
TCMC5801 C32H48N2O3 Avicennamine 510.3821435 -1.5779 4.43 5.648 1 3 47.57 10 4 37 1
TCMC6043 C24H34O8 Meso-2,3-Bis(3,4,5-Trimethoxybenzyl)-1,4-Butanediol 450.225368 -1.178 3.22 1.858 2 2 95.84 13 2 32 1
TCMC6103 C18H29NO2 Bungeanool 291.2198292 1.612 3.11 4.992 3 2 49.33 11 0 21 1
TCMC6113 C21H19NO6 Isoarnottianamide 381.1212373 -1.468 3 2.343 2 1 77.46 5 4 28 0
TCMC6310 C13H22O 8-Methyl-5-Isopropyl-6,8-Nonadiene-2-One 194.1670653 1.925 2.78 4.446 1 0 17.07 6 0 14 0
TCMC6825 C21H18N2O4 Zanthobisquinolone 362.1266571 -1.865 3.11 2.878 6 2 74.6 2 4 27 0
TCMC7042 C32H48N2O4 Culantraraminol N-Oxide 525.369233 0.1739 4.32 4.735 1 2 66.19 11 3 38 1
TCMC7043 C32H46N2O3 Culantraramine N-Oxide 507.3586684 1.0974 4.43 5.673 0 1 45.96 11 3 37 2
TCMC7229 C14H20O3 Ailanthoidiol 236.1412445 -0.7267 2.67 2.613 2 2 49.69 7 1 17 0
TCMC7305 C28H32O17 Tamarixetin 3-O-Î’-D-Glucopyranoside 7-O-Î’-D-Glucopyranoside 640.1639496 -6.0381 2.67 -1.653 15 10 265.52 8 5 45 2

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