Component ID |
TCMH1393 |
Latin Name |
Verbena officinalis |
English Name |
European verbena |
Chinese Pinyin Name |
Ma Bian Cao |
中文名 |
马鞭草 |
TCM Properties |
|
TCM Meridians |
|
Therapeutic Class English |
Heat clearence |
Therapeutic Class Chinese |
清热 |
Functions |
promote the flow of blood and relieve blood stasis, stop malarial attacks, counteract toxicity, and cause diuresis |
Toxicity |
NA |
Geo-authentic habitats (道地产区) |
NA |
Reference |
Chinese Pharmacopoeia (2015) |
Barcode ID |
ITSAJ4412-14 |
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 |
TCMT100 | TTR | Transthyretin | Unclassified | P02766 |
TCMT101 | PTPN1 | Protein-tyrosine phosphatase 1B | Hydrolase | P18031 |
TCMT102 | ACP1 | Low molecular weight phosphotyrosine protein phosphatase | Hydrolase | P24666 |
TCMT103 | PTPRF | Receptor-type tyrosine-protein phosphatase F (LAR) | Hydrolase | P10586 |
TCMT11 | HIF1A | Hypoxia-inducible factor 1 alpha | Transcription factor | Q16665 |
TCMT125 | GBA | Beta-glucocerebrosidase | Hydrolase | P04062 |
TCMT127 | PARP1 | Poly [ADP-ribose] polymerase-1 | Transferase | P09874 |
TCMT128 | TNKS2 | Tankyrase-2 | Transferase | Q9H2K2 |
TCMT129 | TNKS | Tankyrase-1 | Transferase | O95271 |
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 |
TCMT136 | CA12 | Carbonic anhydrase XII | Lyase | O43570 |
TCMT138 | CA7 | Carbonic anhydrase VII | Lyase | P43166 |
TCMT142 | CA4 | Carbonic anhydrase IV | Lyase | P22748 |
TCMT150 | RORC | Nuclear receptor ROR-gamma | Nuclear receptor | P51449 |
TCMT151 | PRKCA | Protein kinase C alpha | Kinase | P17252 |
TCMT156 | CYP19A1 | Cytochrome P450 19A1 | Oxidoreductase | P11511 |
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 |
TCMT171 | PTPN6 | Protein-tyrosine phosphatase 1C | Hydrolase | P29350 |
TCMT174 | HSD11B1 | 11-beta-hydroxysteroid dehydrogenase 1 | Oxidoreductase | P28845 |
TCMT18 | GAA | Lysosomal alpha-glucosidase | Hydrolase | P10253 |
TCMT187 | AR | Androgen Receptor | Nuclear receptor | P10275 |
TCMT190 | PTPN2 | T-cell protein-tyrosine phosphatase | Hydrolase | P17706 |
TCMT2 | MAPT | Microtubule-associated protein tau | Unclassified | P10636 |
TCMT207 | BACE1 | Beta-secretase 1 | Protease | P56817 |
TCMT214 | MGLL | Monoglyceride lipase | Unclassified | Q99685 |
TCMT215 | CYP1A1 | Cytochrome P450 1A1 | Oxidoreductase | P04798 |
TCMT219 | CYP1A2 | Cytochrome P450 1A2 | Oxidoreductase | P05177 |
TCMT223 | AKR1B1 | Aldose reductase | Oxidoreductase | P15121 |
TCMT233 | PTPN11 | Protein-tyrosine phosphatase 2C | Hydrolase | Q06124 |
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 |
TCMT273 | NR1H4 | Bile acid receptor FXR | Nuclear receptor | Q96RI1 |
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 |
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 |
TCMT377 | INSR | Insulin receptor | Kinase | P06213 |
TCMT39 | PDE5A | Phosphodiesterase 5A | Hydrolase | O76074 |
TCMT41 | IDH1 | Isocitrate dehydrogenase [NADP] cytoplasmic | Oxidoreductase | O75874 |
TCMT423 | EGFR | Epidermal growth factor receptor erbB1 | Kinase | P00533 |
TCMT44 | GLO1 | Glyoxalase I | Lyase | Q04760 |
TCMT45 | APP | Beta amyloid A4 protein | Unclassified | P05067 |
TCMT47 | BCL2 | Apoptosis regulator Bcl-2 | Ion channel | P10415 |
TCMT508 | SYK | Tyrosine-protein kinase SYK | Kinase | P43405 |
TCMT558 | TOP2A | DNA topoisomerase II alpha | Isomerase | P11388 |
TCMT563 | CDC25B | Dual specificity phosphatase Cdc25B | Hydrolase | P30305 |
TCMT566 | NOS2 | Nitric oxide synthase, inducible | Oxidoreductase | P35228 |
TCMT59 | BCL2L1 | Apoptosis regulator Bcl-X | Ion channel | Q07817 |
TCMT591 | ESRRA | Estrogen-related receptor alpha | Nuclear receptor | P11474 |
TCMT592 | XDH | Xanthine dehydrogenase | Oxidoreductase | P47989 |
TCMT598 | TOP1 | DNA topoisomerase I | Isomerase | P11387 |
TCMT6 | NFKB1 | Nuclear factor NF-kappa-B p105 subunit | Transcription factor | P19838 |
TCMT60 | FASN | Fatty acid synthase | Unclassified | P49327 |
TCMT63 | PPARA | Peroxisome proliferator-activated receptor alpha | Nuclear receptor | Q07869 |
TCMT64 | PPARD | Peroxisome proliferator-activated receptor delta | Nuclear receptor | Q03181 |
TCMT640 | CTSD | Cathepsin D | Unclassified | P07339 |
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 |
TCMT752 | CSNK2A1 | Casein kinase II alpha | Kinase | P68400 |
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 |
TCMT1104 | Sortase |
TCMT1107 | Protease |
TCMT1109 | Reverse transcriptase |
TCMT1121 | Sialidase |
TCMT1178 | Actinomyces viscosus |
TCMT1189 | Pseudomonas fluorescens |
TCMT1212 | Verticillium dahliae |
TCMT1213 | Neisseria gonorrhoeae |
TCMT1218 | Staphylococcus aureus |
TCMT1226 | Klebsiella pneumoniae |
TCMT1229 | Enterococcus faecalis |
TCMT1232 | Pseudomonas aeruginosa |
TCMT1246 | Escherichia coli |
TCMT1248 | Hepatitis C virus |
TCMT1251 | Candida albicans |
TCMT1255 | Human immunodeficiency virus 1 |
TCMT1346 | Helicobacter pylori |
TCMT1349 | Helicobacter pylori SS1 |
TCMT1382 | Plasmodium falciparum (isolate K1 / Thailand) |
TCMT1412 | Salmonella typhimurium |
TCMT1438 | Plasmodium falciparum |
TCMT1442 | Leishmania donovani |
TCMT1449 | Influenza A virus |
TCMT1454 | Bacillus subtilis |
TCMT1455 | Mycobacterium tuberculosis H37Rv |
TCMT1458 | Filobasidiella neoformans |
TCMT1462 | Streptococcus mutans |
TCMT1463 | Mycobacterium tuberculosis |
TCMT1465 | Entamoeba histolytica |
Ingredient ID: TCMC995
Formula: C35H60O6
Ingredient ID: TCMC857
Formula: C10H16O
Ingredient ID: TCMC747
Formula: C15H22O9
Ingredient ID: TCMC710
Formula: C15H10O5
Ingredient ID: TCMC7070
Formula: C16H24O10
Ingredient ID: TCMC6988
Formula: C17H24O11
Ingredient ID: TCMC6457
Formula: C30H46O3
Ingredient ID: TCMC614
Formula: C29H36O15
Ingredient ID: TCMC473
Formula: C10H16O
Ingredient ID: TCMC4047
Formula: C17H24O11
Ingredient ID: TCMC3809
Formula: C24H42O21
Ingredient ID: TCMC2757
Formula: C11H12O4
Ingredient ID: TCMC2481
Formula: C20H20O8
Ingredient ID: TCMC2292
Formula: C16H12O6
Ingredient ID: TCMC2229
Formula: C17H24O10
Ingredient ID: TCMC2216
Formula: C30H48O3
Ingredient ID: TCMC1786
Formula: C30H48O3
Ingredient ID: TCMC1752
Formula: C15H22O
Ingredient ID: TCMC1516
Formula: C15H10O6
Ingredient ID: TCMC1429
Formula: C15H10O6
Ingredient ID: TCMC1411
Formula: C16H12O7
Ingredient ID: TCMC1157
Formula: C10H18O
Ingredient ID | Formulae | Name | MW | AlogP | MlogP | XlogP | # HBA | # HBD | PSA | # Rotatable Bond | # Ring | # Heacy Atom | Lipinski RO5 Violation |
---|---|---|---|---|---|---|---|---|---|---|---|---|---|
TCMC473 | C10H16O | 4,7,7-Trimethylbicyclo[2.2.1]Heptan-3-One | 152.12 | 0.9693 | 2.45 | 2.127 | 1 | 0 | 17.07 | 3 | 2 | 11 | 0 |
TCMC614 | C29H36O15 | Acetoside | 624.21 | -4.2978 | 3 | -0.202 | 11 | 9 | 245.29 | 21 | 4 | 44 | 3 |
TCMC710 | C15H10O5 | Apigenin | 270.05 | -1.8845 | 2.56 | 1.567 | 1 | 3 | 86.99 | 4 | 3 | 20 | 0 |
TCMC747 | C15H22O9 | Aucubin | 346.13 | -3.5817 | 2.12 | -2.39 | 9 | 6 | 149.07 | 10 | 3 | 24 | 1 |
TCMC857 | C10H16O | Camphor | 152.12 | 0.9693 | 2.45 | 2.127 | 1 | 0 | 17.07 | 3 | 2 | 11 | 0 |
TCMC995 | C35H60O6 | Daucosterol | 576.44 | -0.4469 | 4.65 | 10.487 | 6 | 4 | 99.38 | 19 | 5 | 41 | 1 |
TCMC1157 | C10H18O | Eucalyptol | 154.14 | 1.3109 | 2.45 | 2.595 | 1 | 0 | 9.23 | 3 | 0 | 11 | 0 |
TCMC1411 | C16H12O7 | Isorhamnetin | 316.06 | -2.3927 | 2.45 | 1.471 | 2 | 4 | 116.45 | 7 | 3 | 23 | 0 |
TCMC1429 | C15H10O6 | Kaempferol | 286.05 | -2.3409 | 2.45 | 1.915 | 2 | 4 | 107.22 | 5 | 3 | 21 | 0 |
TCMC1516 | C15H10O6 | Luteolin | 286.05 | -2.3448 | 2.45 | 1.033 | 1 | 4 | 107.22 | 5 | 3 | 21 | 0 |
TCMC1752 | C15H22O | Nootkatone | 218.17 | 1.8291 | 3 | 3.754 | 1 | 0 | 17.07 | 4 | 2 | 16 | 0 |
TCMC1786 | C30H48O3 | Oleanolic_Acid | 456.36 | 2.1298 | 4.43 | 9.052 | 3 | 2 | 57.53 | 10 | 5 | 33 | 1 |
TCMC2216 | C30H48O3 | Ursolic Acid | 456.36 | 1.4838 | 4.43 | 8.954 | 3 | 2 | 57.53 | 10 | 5 | 33 | 1 |
TCMC2229 | C17H24O10 | Verbenalin | 388.14 | -3.0131 | 2.23 | -1.18 | 10 | 4 | 151.98 | 11 | 3 | 27 | 0 |
TCMC2292 | C16H12O6 | 4'-Hydroxywogonin | 300.06 | -1.9363 | 2.56 | 1.123 | 1 | 3 | 96.22 | 6 | 3 | 22 | 0 |
TCMC2481 | C20H20O8 | Artemetin | 388.12 | -1.563 | 2.78 | 1.957 | 2 | 1 | 92.68 | 12 | 3 | 28 | 0 |
TCMC2757 | C11H12O4 | Panepoxydione | 208.07 | 0.2151 | 2.23 | -0.313 | 4 | 1 | 66.9 | 5 | 2 | 15 | 0 |
TCMC3809 | C24H42O21 | Stachyose | 666.2218584 | -7.8043 | 1.79 | -6.351 | 21 | 14 | 347.83 | 11 | 4 | 45 | 3 |
TCMC4047 | C17H24O11 | Hastatoside | 404.1318616 | -3.9554 | 2.12 | -0.816 | 11 | 5 | 168.97 | 4 | 3 | 28 | 1 |
TCMC6457 | C30H46O3 | Ursolic Acid Lactone | 454.3446953 | 1.4808 | 4.43 | 7.884 | 3 | 1 | 46.53 | 0 | 6 | 33 | 1 |
TCMC6988 | C17H24O11 | Hastatoside | 404.1318616 | -3.9554 | 2.12 | -0.816 | 11 | 5 | 168.97 | 4 | 3 | 28 | 1 |
TCMC7070 | C16H24O10 | 9-Hydroxysemperoside | 376.136947 | -3.166 | 2.12 | -1.918 | 10 | 5 | 155.14 | 3 | 4 | 26 | 0 |