NPACT- Naturally occuring Plant based Anticancerous Compound-Activity-Target DataBase
a
Compoundcoumestrol
NPACT-IdNPACT01180
IUPAC-
SynonymsCumoestrol;3,9-Dihydroxy-6H-[1]benzofuro[3,2-c]chromen-6-one;6H-Benzofuro(3,2-c)(1)benzopyran-6-one, 3,9-dihydroxy-;7,12-Dihydroxycoumestan;3,9-dihydroxy-[1]benzofuro[3,2-c]chromen-6-one;3,9-Dihydroxy-6H-benzofuro(3,2-c)(1)benzopyran-6-one;6H-Benzofuro[3,2-c][1]benzopyran-6-one, 3,9-dihydroxy-;3,9-Dihydroxycoumestan;
PubChem Id5281707
ClassFlavonoid
In-vitro anticancer activity 2 cancer cell lines
In-Vivo anticancer activity No
TargetsBCL2 | CCND1 | CycA |   All | 
Properties Physical   Elemental  Topological
InChi KeyZZIALNLLNHEQPJ-UHFFFAOYSA-N
InChi1S/C15H8O5/c16-7-1-3-9-11(5-7)19-14-10-4-2-8(17)6-12(10)20-15(18)13(9)14/h1-6,16-17H
SMILESo1c2c(c3c1cc(O)cc3)c(=O)oc1c2ccc(O)c1
SMART[H]OC1=C([H])C2=C(C([H])=C1[H])C1=C(O2)C2=C(OC1=O)C([H])=C(O[H])C([H])=C2[H]
CAS No.479-13-0
Structure
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Cross Refrence in other databases
Super Natural   -
CTD   D003375
HIT   C0358
NCI-60 GI50 data   -
Suppliers ABI Chem, Amadis Chemical, Ambinter, ChemExper Chemical Directory, ChemFrog, Chemical Synthesis Database, ChemMol, R&D Chemicals, 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

 






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