NPACT- Naturally occuring Plant based Anticancerous Compound-Activity-Target DataBase
Compound(+)-Gallocatechin
NPACT-IdNPACT00006
IUPAC(2R,3S)-2-(3,4,5-trihydroxyphenyl)-3,4-dihydro-2H-chromene-3,5,7-triol
SynonymsGallocatechin;(+)-Gallocatechin;Gallocatechol;dl-Gallocatechin;(+-)-Gallocatechin;(+-)-Gallocatechol;Gallocatechol,(+-)-
PubChem Id65084
ClassFlavonoid
In-vitro anticancer activity 3 cancer cell lines
In-Vivo anticancer activity Yes
TargetsALPP | CDC25C | GGT1 | GPT | GSTM1 | TOP2A |   All | 
Properties Physical   Elemental  Topological
InChi KeyXMOCLSLCDHWDHP-SWLSCSKDSA-N
InChi1S/C15H14O7/c16-7-3-9(17)8-5-12(20)15(22-13(8)4-7)6-1-10(18)14(21)11(19)2-6/h1-4,12,15-21H,5H2/t12-,15+/m0/s1
SMILESO1[C@@H]([C@@H](O)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])(O[H])C2([H])[H])=C1[H]
CAS No.970-73-0
Structure
Download

Cross Refrence in other databases
Super Natural   -
CTD   -
HIT   C0439
NCI-60 GI50 data   970-73-0
Suppliers ABI Chem, Ambinter, IS Chemical Technology, ZINC, 
Drug-Likeliness Filters Lipinski's rule of five   No
Ghose filter   Yes
Veber filter   Yes
Muegge Filter   No
Similarity SearchHuman metabolite databaseFDA approved drugs

 






Copyright © 2012. Subhash M. Agagrwal. All Rights Reserved.