NPACT- Naturally occuring Plant based Anticancerous Compound-Activity-Target DataBase
a
CompoundEriodictyol
NPACT-IdNPACT00554
IUPAC(2S)-2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-2,3-dihydrochromen-4-one
Synonyms-
PubChem Id440735
ClassFlavonoid
In-vitro anticancer activity 5 cancer cell lines
In-Vivo anticancer activity No
TargetsRPS6KA3 | TNF |   All | 
Properties Physical   Elemental  Topological
InChi KeySBHXYTNGIZCORC-ZDUSSCGKSA-N
InChi1S/C15H12O6/c16-8-4-11(19)15-12(20)6-13(21-14(15)5-8)7-1-2-9(17)10(18)3-7/h1-5,13,16-19H,6H2/t13-/m0/s1
SMILESO1[C@@H](CC(=O)c2c1cc(O)cc2O)c1cc(O)c(O)cc1
SMART[H]OC1=C([H])C(O[H])=C2C(=O)C([H])([H])[C@]([H])(OC2=C1[H])C1=C([H])C(O[H])=C(O[H])C([H])=C1[H]
CAS No.-
Structure
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Cross Refrence in other databases
Super Natural   -
CTD   C007619
HIT   C0365
NCI-60 GI50 data   -
Suppliers ABI Chem, Ambinter, ChemMol, Hangzhou APIChem Technology, Sigma-Aldrich, Therapeutic Targets Database, ZINC, 
Drug-Likeliness Filters Lipinski's rule of five   Yes
Ghose filter   Yes
Veber filter   Yes
Muegge Filter   Yes
Similarity SearchHuman metabolite databaseFDA approved drugs

 






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