Component ID |
TCMH266 |
Latin Name |
Clerodendrum bungei |
English Name |
rose glorybower |
Chinese Pinyin Name |
Chu Mu Dan |
中文名 |
臭牡丹 |
TCM Properties |
|
TCM Meridians |
|
Therapeutic Class English |
|
Therapeutic Class Chinese |
|
Functions |
|
Toxicity |
NA |
Geo-authentic habitats (道地产区) |
NA |
Reference |
CFDA |
Barcode ID |
ITSAJ4409-14 |
Barcode Source |
BOLDSYSTEMS |
Prescription ID | Prescription English Name | Prescription Chinese Name |
---|---|---|
TCMFx6685 | Yun Nan She Yao | 云南蛇药 |
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 |
TCMT11 | HIF1A | Hypoxia-inducible factor 1 alpha | Transcription factor | Q16665 |
TCMT112 | ADORA3 | Adenosine A3 receptor | GPCR | P0DMS8 |
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 |
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 |
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 |
TCMT187 | AR | Androgen Receptor | Nuclear receptor | P10275 |
TCMT191 | STAT3 | Signal transducer and activator of transcription 3 | Transcription factor | P40763 |
TCMT193 | RELA | Nuclear factor NF-kappa-B p65 subunit | Transcription factor | Q04206 |
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 |
TCMT215 | CYP1A1 | Cytochrome P450 1A1 | Oxidoreductase | P04798 |
TCMT217 | CYP2C8 | Cytochrome P450 2C8 | Oxidoreductase | P10632 |
TCMT219 | CYP1A2 | Cytochrome P450 1A2 | Oxidoreductase | P05177 |
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 |
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 |
TCMT254 | CBR1 | Carbonyl reductase [NADPH] 1 | Oxidoreductase | P16152 |
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 |
TCMT3 | ALOX15 | Arachidonate 15-lipoxygenase | Oxidoreductase | P16050 |
TCMT30 | PTGS2 | Cyclooxygenase-2 | Oxidoreductase | P35354 |
TCMT301 | PTGES | Prostaglandin E synthase | Isomerase | O14684 |
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 |
TCMT377 | INSR | Insulin receptor | Kinase | P06213 |
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 |
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 |
TCMT507 | MAPK14 | MAP kinase p38 alpha | Kinase | Q16539 |
TCMT508 | SYK | Tyrosine-protein kinase SYK | Kinase | P43405 |
TCMT558 | TOP2A | DNA topoisomerase II alpha | Isomerase | P11388 |
TCMT59 | BCL2L1 | Apoptosis regulator Bcl-X | Ion channel | Q07817 |
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 |
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 |
TCMT683 | MIF | Macrophage migration inhibitory factor | Isomerase | P14174 |
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 |
TCMT752 | CSNK2A1 | Casein kinase II alpha | Kinase | P68400 |
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 |
TCMT1181 | Mycobacterium tuberculosis H37Ra |
TCMT1189 | Pseudomonas fluorescens |
TCMT1208 | Escherichia coli K12 |
TCMT1212 | Verticillium dahliae |
TCMT1213 | Neisseria gonorrhoeae |
TCMT1218 | Staphylococcus aureus |
TCMT1222 | Plasmodium falciparum D6 |
TCMT1223 | Staphylococcus epidermidis |
TCMT1226 | Klebsiella pneumoniae |
TCMT1229 | Enterococcus faecalis |
TCMT1232 | Pseudomonas aeruginosa |
TCMT1246 | Escherichia coli |
TCMT1251 | Candida albicans |
TCMT1284 | Penicillium expansum |
TCMT1286 | Bacillus cereus |
TCMT1346 | Helicobacter pylori |
TCMT1349 | Helicobacter pylori SS1 |
TCMT1382 | Plasmodium falciparum (isolate K1 / Thailand) |
TCMT1412 | Salmonella typhimurium |
TCMT1438 | Plasmodium falciparum |
TCMT1442 | Leishmania donovani |
TCMT1443 | Leishmania amazonensis |
TCMT1449 | Influenza A virus |
TCMT1454 | Bacillus subtilis |
TCMT1455 | Mycobacterium tuberculosis H37Rv |
TCMT1458 | Filobasidiella neoformans |
TCMT1465 | Entamoeba histolytica |
Ingredient ID: TCMC88
Formula: C20H20O5
Ingredient ID: TCMC855
Formula: C16H12O5
Ingredient ID: TCMC84
Formula: C27H32O6
Ingredient ID: TCMC811
Formula: C16H12O5
Ingredient ID: TCMC710
Formula: C15H10O5
Ingredient ID: TCMC676
Formula: C20H16O5
Ingredient ID: TCMC597
Formula: C20H20O5
Ingredient ID: TCMC562
Formula: C4H6N2
Ingredient ID: TCMC412
Formula: C15H10O5
Ingredient ID: TCMC298
Formula: C21H20O11
Ingredient ID: TCMC2693
Formula: C20H20O5
Ingredient ID: TCMC2556
Formula: C21H22O7
Ingredient ID: TCMC2468
Formula: C20H20O6
Ingredient ID: TCMC2239
Formula: C21H22O5
Ingredient ID: TCMC2206
Formula: C20H18O6
Ingredient ID: TCMC2204
Formula: C9H6O3
Ingredient ID: TCMC2094
Formula: C25H28O6
Ingredient ID: TCMC2051
Formula: C10H8O4
Ingredient ID: TCMC2031
Formula: C27H30O16
Ingredient ID: TCMC1982
Formula: C15H10O7
Ingredient ID: TCMC1963
Formula: C17H14O5
Ingredient ID: TCMC1713
Formula: C15H20N2O
Ingredient ID: TCMC1519
Formula: C16H12O5
Ingredient ID: TCMC1516
Formula: C15H10O6
Ingredient ID: TCMC1487
Formula: C20H18O6
Ingredient ID: TCMC1464
Formula: C26H30O6
Ingredient ID: TCMC1448
Formula: C25H30O6
Ingredient ID: TCMC1447
Formula: C25H28O5
Ingredient ID: TCMC1444
Formula: C26H32O7
Ingredient ID: TCMC1443
Formula: C26H30O6
Ingredient ID: TCMC1441
Formula: C16H12O6
Ingredient ID: TCMC1186
Formula: C16H12O4
Ingredient ID | Formulae | Name | MW | AlogP | MlogP | XlogP | # HBA | # HBD | PSA | # Rotatable Bond | # Ring | # Heacy Atom | Lipinski RO5 Violation |
---|---|---|---|---|---|---|---|---|---|---|---|---|---|
TCMC84 | C27H32O6 | (2S)-2'-Methoxykurarinone | 452.22 | 1.3299 | 3.77 | 4.349 | 1 | 2 | 85.22 | 15 | 3 | 33 | 0 |
TCMC88 | C20H20O5 | (2S)-Euchrenone A7 | 340.13 | 0.063 | 3.11 | 2.367 | 1 | 3 | 86.99 | 8 | 3 | 25 | 0 |
TCMC298 | C21H20O11 | 2-(3,4-Dihydroxyphenyl)-5-Hydroxy-7-[(2R,3R,4S,5S,6R)-3,4,5-Trihydroxy-6-(Hydroxymethyl)Oxan-2-Yl]Oxychromen-4-One | 448.1 | -4.0917 | 2.56 | -0.075 | 6 | 7 | 186.37 | 11 | 4 | 32 | 1 |
TCMC412 | C15H10O5 | 3-(3,4-Dihydroxyphenyl)-7-Hydroxychromen-4-One | 270.05 | -2.0476 | 2.56 | 1.941 | 1 | 3 | 86.99 | 4 | 3 | 20 | 0 |
TCMC562 | C4H6N2 | 5-Methyl-1H-Imidazole | 82.05 | 0.0191 | 1.68 | 0.388 | 2 | 1 | 28.68 | 1 | 1 | 6 | 0 |
TCMC597 | C20H20O5 | 8-Prenylnaringenin | 340.13 | 0.063 | 3.11 | 2.367 | 1 | 3 | 86.99 | 8 | 3 | 25 | 0 |
TCMC676 | C20H16O5 | Alpinumisoflavone | 336.1 | -0.6795 | 3.11 | 2.912 | 1 | 2 | 75.99 | 5 | 4 | 25 | 0 |
TCMC710 | C15H10O5 | Apigenin | 270.05 | -1.8845 | 2.56 | 1.567 | 1 | 3 | 86.99 | 4 | 3 | 20 | 0 |
TCMC811 | C16H12O5 | Biochanin | 284.07 | -1.6391 | 2.67 | 2.031 | 1 | 2 | 75.99 | 5 | 3 | 21 | 0 |
TCMC855 | C16H12O5 | Calycosin | 284.07 | -1.6391 | 2.67 | 2.031 | 1 | 2 | 75.99 | 5 | 3 | 21 | 0 |
TCMC1186 | C16H12O4 | Formononetin | 268.07 | -1.1788 | 2.78 | 2.994 | 1 | 1 | 55.76 | 4 | 3 | 20 | 0 |
TCMC1441 | C16H12O6 | Koparin | 300.06 | -2.0994 | 2.56 | 1.497 | 1 | 3 | 96.22 | 6 | 3 | 22 | 0 |
TCMC1443 | C26H30O6 | Kuraidin | 438.2 | 0.9919 | 3.66 | 4.523 | 1 | 4 | 107.22 | 17 | 2 | 32 | 0 |
TCMC1444 | C26H32O7 | Kurarinol | 456.21 | -0.0522 | 3.55 | 2.722 | 2 | 4 | 116.45 | 16 | 3 | 33 | 0 |
TCMC1447 | C25H28O5 | Kushenol A | 408.19 | 0.9732 | 3.66 | 4.485 | 1 | 3 | 86.99 | 12 | 3 | 30 | 0 |
TCMC1448 | C25H30O6 | Kushenol T | 4.26E+02 | -4.00E-04 | 3.55 | 3.377 | 2 | 4 | 107.22 | 14 | 3 | 31 | 0 |
TCMC1464 | C26H30O6 | Leachianone A | 438.2 | 0.9214 | 3.66 | 3.83 | 1 | 3 | 96.22 | 14 | 3 | 32 | 0 |
TCMC1487 | C20H18O6 | Licoflavonol | 354.11 | -0.4635 | 3 | 3.385 | 2 | 4 | 107.22 | 9 | 3 | 26 | 0 |
TCMC1516 | C15H10O6 | Luteolin | 286.05 | -2.3448 | 2.45 | 1.033 | 1 | 4 | 107.22 | 5 | 3 | 21 | 0 |
TCMC1519 | C16H12O5 | Maackiain | 284.07 | -1.4161 | 2.67 | 1.797 | 0 | 1 | 57.15 | 1 | 5 | 21 | 0 |
TCMC1713 | C15H20N2O | 244.16 | -1.6689 | 2.78 | 0.889 | 3 | 0 | 23.55 | 0 | 4 | 18 | 0 | |
TCMC1963 | C17H14O5 | Pterocarpin | 298.08 | -1.0076 | 2.78 | 2.316 | 0 | 0 | 46.15 | 2 | 5 | 22 | 0 |
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 |
TCMC2051 | C10H8O4 | Scopoletin | 192.04 | -0.2421 | 2.12 | 1.088 | 1 | 1 | 55.76 | 3 | 2 | 14 | 0 |
TCMC2094 | C25H28O6 | Sophoraflavanone G | 424.19 | 0.5129 | 3.55 | 3.311 | 1 | 4 | 107.22 | 13 | 3 | 31 | 0 |
TCMC2204 | C9H6O3 | Umbelliferone | 162.03 | -0.1903 | 2.12 | 1.532 | 1 | 1 | 46.53 | 1 | 2 | 12 | 0 |
TCMC2206 | C20H18O6 | Uncinanone A | 354.11 | -0.6305 | 3 | 2.019 | 1 | 4 | 107.22 | 9 | 3 | 26 | 0 |
TCMC2239 | C21H22O5 | Xanthohumol | 354.15 | 0.542 | 3.22 | 3.79 | 1 | 3 | 86.99 | 12 | 2 | 26 | 0 |
TCMC2468 | C20H20O6 | Leachianone G | 356.13 | -0.3973 | 3 | 1.404 | 1 | 4 | 107.22 | 9 | 3 | 26 | 0 |
TCMC2556 | C21H22O7 | Kushenol V | 386.14 | -0.4491 | 3 | 0.96 | 1 | 4 | 116.45 | 11 | 3 | 28 | 0 |
TCMC2693 | C20H20O5 | Kushenol S | 340.13 | 0.063 | 3.11 | 2.578 | 1 | 3 | 86.99 | 8 | 3 | 25 | 0 |