NPACT- Naturally occuring Plant based Anticancerous Compound-Activity-Target DataBase
CompoundEpigallocatechin gallate
NPACT-IdNPACT00548
IUPAC[(2R,3R)-5,7-dihydroxy-2-(3,4,5-trihydroxyphenyl)-3,4-dihydro-2H-chromen-3-yl] 3,4,5-trihydroxybenzoate
SynonymsEpigallocatechin 3-gallate;Tea catechin;Epigallocatechin-3-gallate;Teavigo;Catechin deriv;(-)-Epigallocatechin-3-o-gallate
PubChem Id65064
ClassFlavonoid
In-vitro anticancer activity 6 cancer cell lines
In-Vivo anticancer activity No
TargetsCASP3 | CASP9 | MAPK1 | MAPK8 | PRKAB1 | SLC2A1 | VEGFA |   All | 
Properties Physical   Elemental  Topological
InChi KeyWMBWREPUVVBILR-WIYYLYMNSA-N
InChi1S/C22H18O11/c23-10-5-12(24)11-7-18(33-22(31)9-3-15(27)20(30)16(28)4-9)21(32-17(11)6-10)8-1-13(25)19(29)14(26)2-8/h1-6,18,21,23-30H,7H2/t18-,21-/m1/s1
SMILESO1[C@@H]([C@H](OC(=O)c2cc(O)c(O)c(O)c2)Cc2c1cc(O)cc2O)c1cc(O)c(O)c(O)c1
SMART[H]OC1=C([H])C(O[H])=C2C(O[C@]([H])(C3=C([H])C(O[H])=C(O[H])C(O[H])=C3[H])[C@]([H])(OC(=O)C3=C([H])C(O[H])=C(O[H])C(O[H])=C3[H])C2([H])[H])=C1[H]
CAS No.989-51-5
Structure
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Cross Refrence in other databases
Super Natural   000989515
CTD   C045651
HIT   -
NCI-60 GI50 data   -
Suppliers ABI Chem, Ambinter, Calbiochem, ChemMol, FINETECH, Hangzhou APIChem Technology, IS Chemical Technology, MolPort, NIH Clinical Collection, R&D Chemicals, Selleck Chemicals, Sigma-Aldrich, TCI (Tokyo Chemical Industry), Therapeutic Targets Database, TimTec, ZINC, 
Drug-Likeliness Filters Lipinski's rule of five   No
Ghose filter   Yes
Veber filter   No
Muegge Filter   No
Similarity SearchHuman metabolite databaseFDA approved drugs

 






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