Component ID |
TCMH279 |
Latin Name |
Angelica pubescens |
English Name |
Doubleteeth pubescent angelica |
Chinese Pinyin Name |
Chuan Du Huo |
中文名 |
川独活 |
TCM Properties |
|
TCM Meridians |
|
Therapeutic Class English |
|
Therapeutic Class Chinese |
|
Functions |
|
Toxicity |
NA |
Geo-authentic habitats (道地产区) |
NA |
Reference |
Chinese Classical Prescriptions |
Barcode ID |
ITSAF170-14 |
Barcode Source |
BOLDSYSTEMS |
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 |
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 |
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 |
TCMT156 | CYP19A1 | Cytochrome P450 19A1 | Oxidoreductase | P11511 |
TCMT158 | EPHX2 | Epoxide hydratase | Lyase | P34913 |
TCMT159 | TYR | Tyrosinase | Oxidoreductase | P14679 |
TCMT160 | HTR7 | Serotonin 7 (5-HT7) receptor | GPCR | P34969 |
TCMT161 | HCAR2 | Hydroxycarboxylic acid receptor 2 | GPCR | Q8TDS4 |
TCMT162 | UGT1A1 | UDP-glucuronosyltransferase 1-1 | Transferase | P22309 |
TCMT17 | POLB | DNA polymerase beta | Transferase | P06746 |
TCMT174 | HSD11B1 | 11-beta-hydroxysteroid dehydrogenase 1 | Oxidoreductase | P28845 |
TCMT18 | GAA | Lysosomal alpha-glucosidase | Hydrolase | P10253 |
TCMT189 | DUSP3 | Dual specificity protein phosphatase 3 | Hydrolase | P51452 |
TCMT191 | STAT3 | Signal transducer and activator of transcription 3 | Transcription factor | P40763 |
TCMT193 | RELA | Nuclear factor NF-kappa-B p65 subunit | Transcription factor | Q04206 |
TCMT2 | MAPT | Microtubule-associated protein tau | Unclassified | P10636 |
TCMT206 | CYP2A6 | Cytochrome P450 2A6 | Oxidoreductase | P11509 |
TCMT207 | BACE1 | Beta-secretase 1 | Protease | P56817 |
TCMT208 | MAOA | Monoamine oxidase A | Oxidoreductase | P21397 |
TCMT212 | SRC | Tyrosine-protein kinase SRC | Kinase | P12931 |
TCMT22 | ALPI | Intestinal alkaline phosphatase | Hydrolase | P09923 |
TCMT223 | AKR1B1 | Aldose reductase | Oxidoreductase | P15121 |
TCMT225 | CA13 | Carbonic anhydrase XIII | Lyase | Q8N1Q1 |
TCMT23 | ALPL | Alkaline phosphatase, tissue-nonspecific isozyme | Hydrolase | P05186 |
TCMT232 | ABCB1 | P-glycoprotein 1 | Transporter | P08183 |
TCMT240 | AMY1A | Salivary alpha-amylase | Unclassified | P04745 |
TCMT248 | CXCL8 | Interleukin-8 | Unclassified | P10145 |
TCMT260 | FLT3 | Tyrosine-protein kinase receptor FLT3 | Kinase | P36888 |
TCMT265 | GSK3B | Glycogen synthase kinase-3 beta | Kinase | P49841 |
TCMT267 | GABRR1 | GABA receptor rho-1 subunit | Ion channel | P24046 |
TCMT268 | CYP2A13 | Cytochrome P450 2A13 | Oxidoreductase | Q16696 |
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 |
TCMT3 | ALOX15 | Arachidonate 15-lipoxygenase | Oxidoreductase | P16050 |
TCMT30 | PTGS2 | Cyclooxygenase-2 | Oxidoreductase | P35354 |
TCMT31 | CYP2C19 | Cytochrome P450 2C19 | Oxidoreductase | P33261 |
TCMT33 | CYP3A4 | Cytochrome P450 3A4 | Oxidoreductase | P08684 |
TCMT331 | PLG | Plasminogen | Unclassified | P00747 |
TCMT337 | XPO1 | Exportin-1 | Unclassified | O14980 |
TCMT34 | CYP2D6 | Cytochrome P450 2D6 | Oxidoreductase | P10635 |
TCMT354 | AURKA | Serine/threonine-protein kinase Aurora-A | Kinase | O14965 |
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 |
TCMT401 | MET | Hepatocyte growth factor receptor | Kinase | P08581 |
TCMT41 | IDH1 | Isocitrate dehydrogenase [NADP] cytoplasmic | Oxidoreductase | O75874 |
TCMT418 | EPHB4 | Ephrin type-B receptor 4 | Kinase | P54760 |
TCMT42 | KMT2A | Histone-lysine N-methyltransferase MLL | Transferase | Q03164 |
TCMT423 | EGFR | Epidermal growth factor receptor erbB1 | Kinase | P00533 |
TCMT436 | NUAK1 | NUAK family SNF1-like kinase 1 | Kinase | O60285 |
TCMT441 | PTK2 | Focal adhesion kinase 1 | Kinase | Q05397 |
TCMT45 | APP | Beta amyloid A4 protein | Unclassified | P05067 |
TCMT457 | FLT4 | Vascular endothelial growth factor receptor 3 | Kinase | P35916 |
TCMT47 | BCL2 | Apoptosis regulator Bcl-2 | Ion channel | P10415 |
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 |
TCMT536 | PDGFRB | Platelet-derived growth factor receptor beta | Kinase | P09619 |
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 |
TCMT61 | MCL1 | Induced myeloid leukemia cell differentiation protein Mcl-1 | Unclassified | Q07820 |
TCMT620 | HSPA8 | Heat shock cognate 71 kDa protein | Unclassified | P11142 |
TCMT626 | BRAF | Serine/threonine-protein kinase B-raf | Kinase | P15056 |
TCMT689 | TGM2 | Protein-glutamine gamma-glutamyltransferase | Transferase | P21980 |
TCMT69 | THRB | Thyroid hormone receptor beta-1 | Nuclear receptor | P10828 |
TCMT704 | ERBB2 | Receptor protein-tyrosine kinase erbB-2 | Kinase | P04626 |
TCMT721 | HSPA1A | Heat shock 70 kDa protein 1 | Unclassified | P0DMV8 |
TCMT739 | GPR35 | G-protein coupled receptor 35 | GPCR | Q9HC97 |
TCMT751 | DYRK1A | Dual-specificity tyrosine-phosphorylation regulated kinase 1A | Kinase | Q13627 |
TCMT752 | CSNK2A1 | Casein kinase II alpha | Kinase | P68400 |
TCMT753 | SMAD3 | Mothers against decapentaplegic homolog 3 | Unclassified | P84022 |
TCMT754 | GSTP1 | Glutathione S-transferase Pi | Transferase | P09211 |
TCMT755 | PLK4 | Serine/threonine-protein kinase PLK4 | Kinase | O00444 |
TCMT756 | MAP3K8 | Mitogen-activated protein kinase kinase kinase 8 | Kinase | P41279 |
TCMT757 | CARM1 | Histone-arginine methyltransferase CARM1 | Transferase | Q86X55 |
TCMT8 | KDM4E | Lysine-specific demethylase 4D-like | Oxidoreductase | B2RXH2 |
TCMT80 | MAPK1 | MAP kinase ERK2 | Kinase | P28482 |
TCMT82 | ESR1 | Estrogen receptor alpha | Nuclear receptor | P03372 |
TCMT822 | FUT7 | Alpha-(1,3)-fucosyltransferase 7 | Transferase | Q11130 |
TCMT83 | CD38 | Lymphocyte differentiation antigen CD38 | Unclassified | P28907 |
TCMT87 | CYP2C9 | Cytochrome P450 2C9 | Oxidoreductase | P11712 |
Target ID | Target Name |
---|---|
TCMT1090 | Human immunodeficiency virus type 1 integrase |
TCMT1108 | Integrase |
TCMT1109 | Reverse transcriptase |
TCMT1112 | Quinolone resistance protein norA |
TCMT1121 | Sialidase |
TCMT1136 | Neuraminidase |
TCMT1175 | Human immunodeficiency virus |
TCMT1178 | Actinomyces viscosus |
TCMT1190 | Plasmodium falciparum (isolate FcB1 / Columbia) |
TCMT1209 | Staphylococcus haemolyticus |
TCMT1210 | Streptococcus sobrinus |
TCMT1211 | Fusobacterium nucleatum |
TCMT1218 | Staphylococcus aureus |
TCMT1223 | Staphylococcus epidermidis |
TCMT1226 | Klebsiella pneumoniae |
TCMT1229 | Enterococcus faecalis |
TCMT1246 | Escherichia coli |
TCMT1251 | Candida albicans |
TCMT1294 | Human parainfluenza virus 3 |
TCMT1321 | Staphylococcus hominis |
TCMT1343 | Staphylococcus simulans |
TCMT1344 | Staphylococcus sciuri |
TCMT1346 | Helicobacter pylori |
TCMT1349 | Helicobacter pylori SS1 |
TCMT1370 | Prevotella melaninogenica |
TCMT1382 | Plasmodium falciparum (isolate K1 / Thailand) |
TCMT1412 | Salmonella typhimurium |
TCMT1438 | Plasmodium falciparum |
TCMT1443 | Leishmania amazonensis |
TCMT1447 | Respiratory syncytial virus |
TCMT1448 | Enterobacter aerogenes |
TCMT1449 | Influenza A virus |
TCMT1450 | Plasmodium falciparum 3D7 |
TCMT1455 | Mycobacterium tuberculosis H37Rv |
TCMT1458 | Filobasidiella neoformans |
TCMT1462 | Streptococcus mutans |
TCMT1463 | Mycobacterium tuberculosis |
TCMT1465 | Entamoeba histolytica |
Ingredient ID: TCMC936
Formula: C14H14O4
Ingredient ID: TCMC935
Formula: C19H20O5
Ingredient ID: TCMC897
Formula: C16H18O9
Ingredient ID: TCMC787
Formula: C12H8O4
Ingredient ID: TCMC737
Formula: C21H20O11
Ingredient ID: TCMC697
Formula: C11H6O3
Ingredient ID: TCMC668
Formula: C15H26O
Ingredient ID: TCMC65
Formula: C14H14O4
Ingredient ID: TCMC591
Formula: C15H18O5
Ingredient ID: TCMC535
Formula: C16H16O5
Ingredient ID: TCMC469
Formula: C25H24O12
Ingredient ID: TCMC418
Formula: C25H24O12
Ingredient ID: TCMC321
Formula: C15H10O
Ingredient ID: TCMC2279
Formula: C15H10O7
Ingredient ID: TCMC2204
Formula: C9H6O3
Ingredient ID: TCMC2166
Formula: C10H14O
Ingredient ID: TCMC2101
Formula: C12H8O4
Ingredient ID: TCMC2051
Formula: C10H8O4
Ingredient ID: TCMC1961
Formula: C11H6O3
Ingredient ID: TCMC196
Formula: C20H24O7
Ingredient ID: TCMC1858
Formula: C16H14O4
Ingredient ID: TCMC1843
Formula: C7H8O
Ingredient ID: TCMC1803
Formula: C15H16O3
Ingredient ID: TCMC1751
Formula: C9H20
Ingredient ID: TCMC1608
Formula: C10H16
Ingredient ID: TCMC1551
Formula: C12H8O4
Ingredient ID: TCMC1446
Formula: C21H20O11
Ingredient ID: TCMC1436
Formula: C20H30O2
Ingredient ID: TCMC1409
Formula: C21H20O12
Ingredient ID: TCMC1404
Formula: C13H10O5
Ingredient ID: TCMC1396
Formula: C16H10N2O2
Ingredient ID: TCMC1395
Formula: C16H14O4
Ingredient ID: TCMC1382
Formula: C12H8O4
Ingredient ID: TCMC13
Formula: C15H14O6
Ingredient ID: TCMC1209
Formula: C4H9NO2
Ingredient ID: TCMC1202
Formula: C7H6O5
Ingredient ID: TCMC1173
Formula: C10H10O4
Ingredient ID: TCMC1102
Formula: C14H6O8
Ingredient ID | Formulae | Name | MW | AlogP | MlogP | XlogP | # HBA | # HBD | PSA | # Rotatable Bond | # Ring | # Heacy Atom | Lipinski RO5 Violation |
---|---|---|---|---|---|---|---|---|---|---|---|---|---|
TCMC13 | C15H14O6 | (-)-Epicatechin | 290.08 | -2.494 | 2.45 | 0.406 | 1 | 5 | 110.38 | 6 | 3 | 21 | 0 |
TCMC65 | C14H14O4 | (2R)-2-(2-Hydroxypropan-2-Yl)-2,3-Dihydrofuro[3,2-G]Chromen-7-One | 246.09 | 0.2617 | 2.56 | 2.093 | 2 | 1 | 55.76 | 4 | 3 | 18 | 0 |
TCMC196 | C20H24O7 | [(1R,2R)-2,3-Dihydroxy-1-(7-Methoxy-2-Oxochromen-6-Yl)-3-Methylbutyl] (E)-2-Methylbut-2-Enoate | 376.15 | 1.0535 | 2.89 | 2.301 | 5 | 2 | 102.29 | 14 | 2 | 27 | 0 |
TCMC321 | C15H10O | 2,3-Diphenylcycloprop-2-En-1-One | 206.07 | -0.1872 | 3 | 6.584 | 1 | 0 | 17.07 | 2 | 3 | 16 | 1 |
TCMC418 | C25H24O12 | 3,4-Dicaffeoylquinic Acid | 516.13 | -2.3865 | 2.89 | 1.085 | 8 | 7 | 211.28 | 16 | 3 | 37 | 1 |
TCMC469 | C25H24O12 | 4,5-Dicaffeoylquinic Acid | 516.13 | -2.3865 | 2.89 | 1.085 | 8 | 7 | 211.28 | 16 | 3 | 37 | 1 |
TCMC535 | C16H16O5 | 5,7-Dimethoxy-8-(3-Methylbut-2-Enoyl)Chromen-2-One | 288.1 | 1.3521 | 2.67 | 1.984 | 2 | 0 | 61.83 | 8 | 2 | 21 | 0 |
TCMC591 | C15H18O5 | 8-(2,3-Dihydroxy-3-Methylbutyl)-7-Methoxychromen-2-One | 278.12 | -0.0963 | 2.56 | 1.594 | 3 | 2 | 75.99 | 9 | 2 | 20 | 0 |
TCMC668 | C15H26O | Alpha-Bisabolol | 222.2 | 2.7502 | 3 | 4.085 | 1 | 1 | 20.23 | 9 | 1 | 16 | 0 |
TCMC697 | C11H6O3 | Angelicin | 186.03 | 0.1159 | 2.34 | 2.134 | 1 | 0 | 39.44 | 0 | 3 | 14 | 0 |
TCMC737 | C21H20O11 | Astragalin | 448.1 | -4.4318 | 2.56 | 0.18 | 7 | 7 | 186.37 | 11 | 4 | 32 | 1 |
TCMC787 | C12H8O4 | Bergapten | 216.04 | 0.0641 | 2.34 | 1.69 | 1 | 0 | 48.67 | 2 | 3 | 16 | 0 |
TCMC897 | C16H18O9 | Chlorogenic Acid | 354.1 | -2.1962 | 2.23 | -0.447 | 7 | 6 | 164.75 | 11 | 2 | 25 | 1 |
TCMC935 | C19H20O5 | Columbianadin | 328.13 | 1.9846 | 3 | 3.83 | 3 | 0 | 61.83 | 8 | 3 | 24 | 0 |
TCMC936 | C14H14O4 | Columbianetin | 246.09 | 0.2617 | 2.56 | 2.093 | 2 | 1 | 55.76 | 4 | 3 | 18 | 0 |
TCMC1102 | C14H6O8 | Ellagic Acid | 302.01 | -2.0234 | 2.12 | -0.046 | 2 | 4 | 133.52 | 4 | 4 | 22 | 0 |
TCMC1173 | C10H10O4 | Ferulic Acid | 194.06 | -0.3908 | 2.12 | 1.231 | 2 | 2 | 66.76 | 6 | 1 | 14 | 0 |
TCMC1202 | C7H6O5 | Gallic Acid | 170.02 | -1.6207 | 1.68 | 0.002 | 2 | 4 | 97.99 | 5 | 1 | 12 | 0 |
TCMC1209 | C4H9NO2 | Gamma-Aminobutyric Acid | 103.06 | -1.2313 | 1.57 | -0.668 | 3 | 2 | 63.32 | 5 | 0 | 7 | 0 |
TCMC1382 | C12H8O4 | Isobergaptene | 216.04 | 0.0641 | 2.34 | 1.69 | 1 | 0 | 48.67 | 2 | 3 | 16 | 0 |
TCMC1395 | C16H14O4 | Isoimperatorin | 270.09 | 1.5296 | 2.78 | 2.891 | 1 | 0 | 48.67 | 5 | 3 | 20 | 0 |
TCMC1396 | C16H10N2O2 | Isoindigo | 262.07 | -0.0866 | 2.78 | 4.42 | 4 | 2 | 65.18 | 2 | 4 | 20 | 0 |
TCMC1404 | C13H10O5 | Isopimpinellin | 246.05 | 0.0123 | 2.34 | 1.246 | 1 | 0 | 57.9 | 4 | 3 | 18 | 0 |
TCMC1409 | C21H20O12 | Isoquercetin | 464.1 | -4.8921 | 2.45 | -0.354 | 7 | 8 | 206.6 | 12 | 4 | 33 | 1 |
TCMC1436 | C20H30O2 | Kaurenoic Acid | 302.22 | 1.3222 | 3.44 | 6.629 | 2 | 1 | 37.3 | 4 | 4 | 22 | 1 |
TCMC1446 | C21H20O11 | Kuromanin | 450.12 | -4.0484 | 2.56 | -0.795 | 6 | 9 | 180.3 | 12 | 4 | 32 | 1 |
TCMC1551 | C12H8O4 | Methoxsalen | 216.04 | 0.0641 | 2.34 | 1.69 | 1 | 0 | 48.67 | 2 | 3 | 16 | 0 |
TCMC1608 | C10H16 | Myrcene | 136.13 | 3.0936 | 2.56 | 4.17 | 0 | 0 | 0 | 6 | 0 | 10 | 0 |
TCMC1751 | C9H20 | Nonane | 128.16 | -1.9134 | 2.45 | 5.461 | 0 | 0 | 0 | 8 | 0 | 9 | 1 |
TCMC1803 | C15H16O3 | Osthole | 244.11 | 2.0956 | 2.78 | 3.521 | 1 | 0 | 35.53 | 6 | 2 | 18 | 0 |
TCMC1843 | C7H8O | P-Cresol | 108.06 | 0.1817 | 2.12 | 2.367 | 0 | 1 | 20.23 | 2 | 1 | 8 | 0 |
TCMC1858 | C16H14O4 | Pentosalen | 270.09 | 1.5296 | 2.78 | 2.891 | 1 | 0 | 48.67 | 5 | 3 | 20 | 0 |
TCMC1961 | C11H6O3 | Psoralen | 186.03 | 0.1159 | 2.34 | 2.134 | 1 | 0 | 39.44 | 0 | 3 | 14 | 0 |
TCMC2051 | C10H8O4 | Scopoletin | 192.04 | -0.2421 | 2.12 | 1.088 | 1 | 1 | 55.76 | 3 | 2 | 14 | 0 |
TCMC2101 | C12H8O4 | Sphondin | 216.04 | 0.0641 | 2.34 | 1.69 | 1 | 0 | 48.67 | 2 | 3 | 16 | 0 |
TCMC2166 | C10H14O | Thymol | 150.1 | 0.7546 | 2.45 | 3.556 | 0 | 1 | 20.23 | 5 | 1 | 11 | 0 |
TCMC2204 | C9H6O3 | Umbelliferone | 162.03 | -0.1903 | 2.12 | 1.532 | 1 | 1 | 46.53 | 1 | 2 | 12 | 0 |
TCMC2279 | C15H10O7 | Herbacetin | 302.04 | -2.8012 | 2.34 | 1.381 | 2 | 5 | 127.45 | 6 | 3 | 22 | 0 |