Component ID |
TCMH905 |
Latin Name |
Picrorhiza kurrooa |
English Name |
Picrorhiza |
Chinese Pinyin Name |
Hu Huang Lian |
中文名 |
胡黄连 |
TCM Properties |
|
TCM Meridians |
|
Therapeutic Class English |
|
Therapeutic Class Chinese |
|
Functions |
|
Toxicity |
NA |
Geo-authentic habitats (道地产区) |
Tibet |
Reference |
Chinese Pharmacopoeia (2015) |
Barcode ID |
GBVX6435-15, GBVX5995-15 |
Barcode Source |
BOLDSYSTEMS |
| Prescription ID | Prescription English Name | Prescription Chinese Name |
|---|---|---|
| TCMFx1442 | Awei Huapi Plaster | 阿éåŒ–ç—žè† |
| TCMFx2622 | Awei Huapi Plaster | 阿éåŒ–ç—žè† |
| TCMFx63 | Bi Bai Ke Capsule | 比拜克胶囊 |
| TCMF190 | Er Tong Qing Re Dao Zhi Pills | 儿童清çƒå¯¼æ»žä¸¸ |
| TCMF3934 | Er Tong Qing Re Dao Zhi Pills | 儿童清çƒå¯¼æ»žä¸¸ |
| TCMFx3209 | Fei Er Tablets | 肥儿片 |
| TCMF3756 | Fu Bao Jin Pills | 妇å®é‡‘丸 |
| TCMF785 | Fu Fang Yi Gan Pills | 夿–¹ç›Šè‚丸 |
| TCMF995 | Huang Lian Yang Gan Pills | 黄连羊è‚丸 |
| TCMF4085 | Huang Lian Yang Gan Tablets | 黄连羊è‚片 |
| TCMFx2046 | Hyperthermia Cooling Powder | 清骨散 |
| TCMFx4671 | Ji Sheng Wan Ying Ding | æµŽç”Ÿä¸‡åº”é” |
| TCMF4302 | Jian Shen Xiao Dao Infusion | å¥èº«æ¶ˆå¯¼å†²å‰‚ |
| TCMFx4170 | Jin Yi Wan Ying Pills | 金衣万应丸 |
| TCMF4323 | Jing Wan Hong | 京万红 |
| TCMF4331 | Jing Wan Hong Zhi Chuang Ointment | äº¬ä¸‡çº¢ç—”ç–®è† |
| TCMF662 | Jing Wan Hong Ointment | äº¬ä¸‡çº¢è½¯è† |
| TCMF4871 | Kang Er Ling Granules | 康儿çµé¢—ç²’ |
| TCMF2858 | Qing Gu Powder | 清骨散 |
| TCMFx5648 | Qing Re Pills | 清çƒä¸¸ |
| TCMFx2411 | Radix Bupleuri Bone Soothing Powder | 柴胡清骨散 |
| TCMFx1808 | Roundworm Decoction | 连梅安蛔汤 |
| TCMFx5187 | She Xiang Qi Ying Pills | éºé¦™å¥‡åº”丸 |
| TCMF5565 | Shu Zhi Pills | 舒痔丸 |
| TCMF2404 | Stagnation Relieving Recipe | |
| TCMFx223 | Wan Ying Capsule | 万应胶囊 |
| TCMFx182 | Wan Ying Tincture | ä¸‡åº”é” |
| TCMF6796 | Xiao Er Jian Shen Tablets | å°å„¿å¥èº«ç‰‡ |
| TCMFx6070 | Xiao Ji Fei Er Pills | 消积肥儿丸 |
| TCMF6110 | Xiao Ji Jian Er Tablets | 消积å¥å„¿ç‰‡ |
| TCMF6394 | Yi Gan Jie Du Capsules | ä¹™è‚解毒胶囊 |
| TCMFx6232 | Ying Er Xiao Shi Powder | 婴儿消食散 |
| TCMFx6184 | Zhi Xue Pills | 痔血丸 |
| 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 |
| TCMT125 | GBA | Beta-glucocerebrosidase | Hydrolase | P04062 |
| 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 |
| TCMT156 | CYP19A1 | Cytochrome P450 19A1 | Oxidoreductase | P11511 |
| TCMT158 | EPHX2 | Epoxide hydratase | Lyase | P34913 |
| TCMT159 | TYR | Tyrosinase | Oxidoreductase | P14679 |
| TCMT162 | UGT1A1 | UDP-glucuronosyltransferase 1-1 | Transferase | P22309 |
| TCMT164 | PTGS1 | Cyclooxygenase-1 | Oxidoreductase | P23219 |
| TCMT17 | POLB | DNA polymerase beta | Transferase | P06746 |
| TCMT174 | HSD11B1 | 11-beta-hydroxysteroid dehydrogenase 1 | Oxidoreductase | P28845 |
| TCMT18 | GAA | Lysosomal alpha-glucosidase | Hydrolase | P10253 |
| TCMT187 | AR | Androgen Receptor | Nuclear receptor | P10275 |
| TCMT195 | MAP2K1 | Dual specificity mitogen-activated protein kinase kinase 1 | Kinase | Q02750 |
| TCMT2 | MAPT | Microtubule-associated protein tau | Unclassified | P10636 |
| TCMT207 | BACE1 | Beta-secretase 1 | Protease | P56817 |
| TCMT212 | SRC | Tyrosine-protein kinase SRC | Kinase | P12931 |
| TCMT213 | SLC22A1 | Solute carrier family 22 member 1 | Transporter | O15245 |
| 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 |
| TCMT221 | ABCB11 | Bile salt export pump | Transporter | O95342 |
| TCMT223 | AKR1B1 | Aldose reductase | Oxidoreductase | P15121 |
| TCMT23 | ALPL | Alkaline phosphatase, tissue-nonspecific isozyme | Hydrolase | P05186 |
| TCMT237 | SLC5A1 | Sodium/glucose cotransporter 1 | Transporter | P13866 |
| TCMT238 | SLC5A2 | Sodium/glucose cotransporter 2 | Transporter | P31639 |
| 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 |
| TCMT283 | PTPRS | Receptor-type tyrosine-protein phosphatase S | Hydrolase | Q13332 |
| TCMT3 | ALOX15 | Arachidonate 15-lipoxygenase | Oxidoreductase | P16050 |
| TCMT30 | PTGS2 | Cyclooxygenase-2 | Oxidoreductase | P35354 |
| TCMT306 | MMP2 | Matrix metalloproteinase-2 | Hydrolase | P08253 |
| 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 |
| TCMT33 | CYP3A4 | Cytochrome P450 3A4 | Oxidoreductase | P08684 |
| TCMT331 | PLG | Plasminogen | Unclassified | P00747 |
| TCMT34 | CYP2D6 | Cytochrome P450 2D6 | Oxidoreductase | P10635 |
| 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 |
| TCMT388 | AXL | Tyrosine-protein kinase receptor UFO | Kinase | P30530 |
| TCMT39 | PDE5A | Phosphodiesterase 5A | Hydrolase | O76074 |
| TCMT401 | MET | Hepatocyte growth factor receptor | Kinase | P08581 |
| TCMT402 | ALK | ALK tyrosine kinase receptor | Kinase | Q9UM73 |
| TCMT41 | IDH1 | Isocitrate dehydrogenase [NADP] cytoplasmic | Oxidoreductase | O75874 |
| 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 |
| 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 |
| TCMT460 | MAPKAPK2 | MAP kinase-activated protein kinase 2 | Kinase | P49137 |
| TCMT462 | NEK6 | Serine/threonine-protein kinase NEK6 | Kinase | Q9HC98 |
| TCMT479 | AKT1 | Serine/threonine-protein kinase AKT | Kinase | P31749 |
| TCMT484 | PLK1 | Serine/threonine-protein kinase PLK1 | Kinase | P53350 |
| TCMT507 | MAPK14 | MAP kinase p38 alpha | Kinase | Q16539 |
| TCMT508 | SYK | Tyrosine-protein kinase SYK | Kinase | P43405 |
| TCMT558 | TOP2A | DNA topoisomerase II alpha | Isomerase | P11388 |
| TCMT591 | ESRRA | Estrogen-related receptor alpha | Nuclear receptor | P11474 |
| TCMT592 | XDH | Xanthine dehydrogenase | Oxidoreductase | P47989 |
| TCMT6 | NFKB1 | Nuclear factor NF-kappa-B p105 subunit | Transcription factor | P19838 |
| TCMT601 | F2 | Thrombin | Unclassified | P00734 |
| 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 |
| TCMT81 | ALOX12 | Arachidonate 12-lipoxygenase | Oxidoreductase | P18054 |
| 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 |
| 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 |
| TCMT1109 | Reverse transcriptase |
| TCMT1121 | Sialidase |
| TCMT1136 | Neuraminidase |
| TCMT1170 | Enterobacter cloacae |
| TCMT1172 | Staphylococcus aureus subsp. aureus RN4220 |
| TCMT1174 | Mycobacterium bovis BCG |
| TCMT1178 | Actinomyces viscosus |
| TCMT1179 | Escherichia coli ATCC 8739 |
| TCMT1181 | Mycobacterium tuberculosis H37Ra |
| TCMT1183 | Candida albicans SC5314 |
| TCMT1184 | Mycobacterium fortuitum |
| TCMT1185 | Mycobacterium phlei |
| TCMT1189 | Pseudomonas fluorescens |
| TCMT1193 | Staphylococcus |
| TCMT1195 | Streptococcus pasteurianus |
| TCMT1196 | Salmonella |
| TCMT1197 | Shigella sp. |
| TCMT1198 | Serratia marcescens |
| TCMT1200 | Bacillus thuringiensis |
| TCMT1208 | Escherichia coli K12 |
| TCMT1212 | Verticillium dahliae |
| TCMT1214 | Enterococcus faecium |
| TCMT1216 | Vibrio cholerae |
| TCMT1217 | Bacillus anthracis |
| TCMT1218 | Staphylococcus aureus |
| TCMT1222 | Plasmodium falciparum D6 |
| TCMT1223 | Staphylococcus epidermidis |
| TCMT1224 | Proteus mirabilis |
| TCMT1226 | Klebsiella pneumoniae |
| TCMT1227 | Streptococcus |
| TCMT1229 | Enterococcus faecalis |
| TCMT1232 | Pseudomonas aeruginosa |
| TCMT1236 | Mycobacterium bovis |
| TCMT1239 | Mycobacterium marinum |
| TCMT1243 | Aspergillus flavus |
| TCMT1246 | Escherichia coli |
| TCMT1251 | Candida albicans |
| TCMT1262 | Mycoplasma putrefaciens |
| TCMT1266 | Mycobacterium abscessus |
| TCMT1267 | Mycobacterium chelonae |
| TCMT1268 | Nocardia farcinica |
| TCMT1269 | Mycobacterium ulcerans |
| TCMT1270 | Streptomyces coelicolor |
| TCMT1271 | Shigella flexneri |
| TCMT1273 | Pseudomonas putida |
| TCMT1275 | Erwinia chrysanthemi |
| TCMT1278 | Pseudomonas |
| TCMT1279 | Staphylococcus aureus subsp. aureus |
| TCMT1280 | Salmonella sp. |
| TCMT1284 | Penicillium expansum |
| TCMT1286 | Bacillus cereus |
| TCMT1287 | Bacillus subtilis subsp. spizizenii ATCC 6633 |
| TCMT1289 | Shigella dysenteriae |
| TCMT1294 | Human parainfluenza virus 3 |
| TCMT1303 | Bacillus |
| TCMT1305 | Salmonella enteritidis |
| TCMT1311 | Pseudomonas tolaasii |
| TCMT1325 | Mycobacterium gordonae |
| TCMT1326 | Shigella |
| TCMT1328 | Enterococcus avium |
| TCMT1329 | Bacillus fortis |
| TCMT1330 | Salmonella enterica subsp. enterica serovar Paratyphi B |
| TCMT1331 | Acinetobacter sp. |
| TCMT1346 | Helicobacter pylori |
| TCMT1349 | Helicobacter pylori SS1 |
| TCMT1353 | Plasmodium yoelii |
| TCMT1382 | Plasmodium falciparum (isolate K1 / Thailand) |
| TCMT1410 | Listeria monocytogenes |
| TCMT1412 | Salmonella typhimurium |
| TCMT1438 | Plasmodium falciparum |
| TCMT1439 | Mycobacterium smegmatis |
| TCMT1442 | Leishmania donovani |
| TCMT1443 | Leishmania amazonensis |
| TCMT1444 | Fusarium oxysporum |
| TCMT1447 | Respiratory syncytial virus |
| TCMT1448 | Enterobacter aerogenes |
| TCMT1449 | Influenza A virus |
| TCMT1450 | Plasmodium falciparum 3D7 |
| TCMT1454 | Bacillus subtilis |
| TCMT1455 | Mycobacterium tuberculosis H37Rv |
| TCMT1458 | Filobasidiella neoformans |
| TCMT1460 | Mycobacterium intracellulare |
| TCMT1461 | Salmonella enterica subsp. enterica serovar Gallinarum |
| TCMT1462 | Streptococcus mutans |
| TCMT1463 | Mycobacterium tuberculosis |
| TCMT1465 | Entamoeba histolytica |
Ingredient ID: TCMC969
Formula: C15H23NO4
Ingredient ID: TCMC737
Formula: C21H20O11
Ingredient ID: TCMC714
Formula: C9H10O3
Ingredient ID: TCMC7111
Formula: C38H58O13
Ingredient ID: TCMC6620
Formula: C23H28O13
Ingredient ID: TCMC6597
Formula: C25H30O13
Ingredient ID: TCMC6453
Formula: C24H28O11
Ingredient ID: TCMC6403
Formula: C36H54O12
Ingredient ID: TCMC5820
Formula: C23H28O13
Ingredient ID: TCMC5025
Formula: C27H34O16
Ingredient ID: TCMC476
Formula: C15H23NO4
Ingredient ID: TCMC3620
Formula: C15H20O8
Ingredient ID: TCMC3429
Formula: C6H14O6
Ingredient ID: TCMC3317
Formula: C14H18O7
Ingredient ID: TCMC2501
Formula: C14H15N3O2
Ingredient ID: TCMC2347
Formula: C25H30O13
Ingredient ID: TCMC2325
Formula: C21H20O11
Ingredient ID: TCMC2222
Formula: C8H8O4
Ingredient ID: TCMC2108
Formula: C21H39N7O12
Ingredient ID: TCMC2105
Formula: C18H36O2
Ingredient ID: TCMC2031
Formula: C27H30O16
Ingredient ID: TCMC1982
Formula: C15H10O7
Ingredient ID: TCMC1913
Formula: C29H36O16
Ingredient ID: TCMC1732
Formula: C15H23NO4
Ingredient ID: TCMC1535
Formula: C6H14O6
Ingredient ID: TCMC1429
Formula: C15H10O6
Ingredient ID: TCMC1409
Formula: C21H20O12
Ingredient ID: TCMC1186
Formula: C16H12O4
Ingredient ID: TCMC115
Formula: C20H22N2O4
| Ingredient ID | Formulae | Name | MW | AlogP | MlogP | XlogP | # HBA | # HBD | PSA | # Rotatable Bond | # Ring | # Heacy Atom | Lipinski RO5 Violation |
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| TCMC115 | C20H22N2O4 | (3S,6S)-3,6-Bis-(4-Hydroxy-Benzyl)-1,4-Dimethyl-Piperazine-2,5-Dione | 354.16 | -2.175 | 3 | 2.174 | 4 | 2 | 81.08 | 8 | 3 | 26 | 0 |
| TCMC476 | C15H23NO4 | 4-[(2R)-2-[(1R,3R,5S)-3,5-Dimethyl-2-Oxocyclohexyl]-2-Hydroxyethyl]Piperidine-2,6-Dione | 281.16 | -1.1984 | 2.56 | 1.416 | 5 | 2 | 86.96 | 7 | 2 | 20 | 0 |
| TCMC714 | C9H10O3 | Apocynin | 166.06 | -0.766 | 2.12 | 0.891 | 1 | 1 | 46.53 | 5 | 1 | 12 | 0 |
| TCMC737 | C21H20O11 | Astragalin | 448.1 | -4.4318 | 2.56 | 0.18 | 7 | 7 | 186.37 | 11 | 4 | 32 | 1 |
| TCMC969 | C15H23NO4 | Cycloheximide | 281.16 | -1.1984 | 2.56 | 1.416 | 5 | 2 | 86.96 | 7 | 2 | 20 | 0 |
| TCMC1186 | C16H12O4 | Formononetin | 268.07 | -1.1788 | 2.78 | 2.994 | 1 | 1 | 55.76 | 4 | 3 | 20 | 0 |
| TCMC1409 | C21H20O12 | Isoquercetin | 464.1 | -4.8921 | 2.45 | -0.354 | 7 | 8 | 206.6 | 12 | 4 | 33 | 1 |
| TCMC1429 | C15H10O6 | Kaempferol | 286.05 | -2.3409 | 2.45 | 1.915 | 2 | 4 | 107.22 | 5 | 3 | 21 | 0 |
| TCMC1535 | C6H14O6 | Mannitol | 182.08 | -2.9402 | 1.46 | -3.896 | 6 | 6 | 121.38 | 11 | 0 | 12 | 1 |
| TCMC1732 | C15H23NO4 | Naramycin B | 281.16 | -1.1984 | 2.56 | 1.416 | 5 | 2 | 86.96 | 7 | 2 | 20 | 0 |
| TCMC1913 | C29H36O16 | Plantainoside D | 640.2 | -4.7978 | 2.89 | -0.905 | 12 | 10 | 265.52 | 22 | 4 | 45 | 3 |
| TCMC1982 | C15H10O7 | Quercetin | 302.04 | -2.8012 | 2.34 | 1.381 | 2 | 5 | 127.45 | 6 | 3 | 22 | 0 |
| TCMC2031 | C27H30O16 | Rutin | 610.15 | -6.139 | 2.67 | -1.188 | 11 | 10 | 265.52 | 17 | 5 | 43 | 2 |
| TCMC2105 | C18H36O2 | Stearic Acid | 284.27 | -4.4737 | 3.22 | 8.708 | 2 | 1 | 37.3 | 18 | 0 | 20 | 2 |
| TCMC2108 | C21H39N7O12 | Streptomycin | 581.27 | -5.8504 | 1.68 | -3.511 | 19 | 14 | 331.43 | 22 | 3 | 40 | 3 |
| TCMC2222 | C8H8O4 | Vanillic Acid | 168.04 | -0.7519 | 1.9 | 0.626 | 2 | 2 | 66.76 | 5 | 1 | 12 | 0 |
| TCMC2325 | C21H20O11 | Trifolin | 448.1 | -4.4318 | 2.56 | 0.18 | 7 | 7 | 186.37 | 11 | 4 | 32 | 1 |
| TCMC2347 | C25H30O13 | Minecoside | 538.17 | -4.1251 | 2.78 | -0.656 | 11 | 6 | 197.13 | 16 | 5 | 38 | 2 |
| TCMC2501 | C14H15N3O2 | Dl-Isoindolmycin | 257.12 | -0.8204 | 2.45 | 2.256 | 5 | 2 | 69.97 | 5 | 3 | 19 | 0 |
| TCMC3317 | C14H18O7 | Picein | 298.1052529 | -2.4611 | 2.23 | 0.227 | 6 | 4 | 116.45 | 4 | 2 | 21 | 0 |
| TCMC3429 | C6H14O6 | D-Mannitol | 182.0790382 | -2.9402 | 1.46 | -3.896 | 6 | 6 | 121.38 | 5 | 0 | 12 | 1 |
| TCMC3620 | C15H20O8 | Androsin | 328.1158176 | -2.5129 | 2.23 | -0.217 | 6 | 4 | 125.68 | 5 | 2 | 23 | 0 |
| TCMC5025 | C27H34O16 | Hexaacetyl Catalpol | 614.184685 | -2.0687 | 2.67 | 0.446 | 16 | 0 | 198.02 | 16 | 4 | 43 | 2 |
| TCMC5820 | C23H28O13 | Picroside Ii | 512.152991 | -4.4862 | 2.56 | -1.261 | 11 | 6 | 197.13 | 8 | 5 | 36 | 2 |
| TCMC6403 | C36H54O12 | Arvenin Iii | 678.3615272 | -1.3551 | 4.1 | 0.448 | 12 | 7 | 211.28 | 7 | 5 | 48 | 2 |
| TCMC6453 | C24H28O11 | Picroside I | 492.1631617 | -3.613 | 2.89 | 2.017 | 11 | 5 | 167.67 | 8 | 5 | 35 | 1 |
| TCMC6597 | C25H30O13 | Picroside Iii | 538.168641 | -4.1251 | 2.78 | -0.656 | 11 | 6 | 197.13 | 9 | 5 | 38 | 2 |
| TCMC6620 | C23H28O13 | 6'-O-Vanilloyl Catalpol | 512.152991 | -4.4862 | 2.56 | -1.69 | 11 | 6 | 197.13 | 8 | 5 | 36 | 2 |
| TCMC7111 | C38H58O13 | Arvenin Ii | 722.3877419 | -1.0467 | 4.21 | 1.343 | 13 | 6 | 217.35 | 10 | 5 | 51 | 2 |