NPACT- Naturally occuring Plant based Anticancerous Compound-Activity-Target DataBase
a
CompoundGallic acid
NPACT-IdNPACT00591
IUPAC3,4,5-trihydroxybenzoic acid
SynonymsGallic acid;3,4,5-Trihydroxybenzoic acid ;gallate;Benzoic acid, 3,4,5-trihydroxy-;Gallic acid, tech.;Pyrogallol-5-carboxylic acid;3,4,5-Trihydroxybenzoate;Gallic acid polymer;GALOP;
PubChem Id370
ClassSimple aromatic natural products
In-vitro anticancer activity 8 cancer cell lines
In-Vivo anticancer activity No
TargetsAKT1 | CDC42 | IKBKE | MMP2 | MMP9 | NFKB1 | PIK3CA | RAC1 | RHOA | RHOB | SULT1A3 |   All | 
Properties Physical   Elemental  Topological
InChi KeyLNTHITQWFMADLM-UHFFFAOYSA-N
InChi1S/C7H6O5/c8-4-1-3(7(11)12)2-5(9)6(4)10/h1-2,8-10H,(H,11,12)
SMILESOc1c(O)cc(cc1O)C(=O)O
SMART[H]OC(=O)C1=C([H])C(O[H])=C(O[H])C(O[H])=C1[H]
CAS No.149-91-7
Structure
Download

Cross Refrence in other databases
Super Natural   000149917
CTD   D005707
HIT   C0001
NCI-60 GI50 data   -
Suppliers ABBLIS Chemicals, ABI Chem, AKos Consulting & Solutions, Ambinter, Aronis, ChemExper Chemical Directory, ChemFrog, ChemMol, Hangzhou APIChem Technology, IS Chemical Technology, Jamson Pharmachem Technology, MolPort, MP Biomedicals, R&D Chemicals, Sigma-Aldrich, TCI (Tokyo Chemical Industry), TimTec, Vitas-M Laboratory, 
Drug-Likeliness Filters Lipinski's rule of five   Yes
Ghose filter   No
Veber filter   Yes
Muegge Filter   No
Similarity SearchHuman metabolite databaseFDA approved drugs

 






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