NPACT- Naturally occuring Plant based Anticancerous Compound-Activity-Target DataBase
CompoundGinkgetin
NPACT-IdNPACT00617
IUPAC5,7-dihydroxy-8-[5-(5-hydroxy-7-methoxy-4-oxochromen-2-yl)-2-methoxyphenyl]-2-(4-hydroxyphenyl)chromen-4-one
SynonymsAmentoflavone 7,4'-dimethyl ether;4H-1-Benzopyran-4-one, 5,7-dihydroxy-8-[5-(5-hydroxy-7-methoxy-4-oxo-4H-1-benzopyran-2-yl)-2-methoxyphenyl]-2-(4-hydroxyphenyl)-;4H-1-Benzopyran-4-one, 5,7-dihydroxy-8-(5-(5-hydroxy-7-methoxy-4-oxo-4H-1-benzopyran-2-yl)-2-methoxyphenyl)-2-(4-hydroxyphenyl)-;
PubChem Id5271805
ClassFlavonoid
In-vitro anticancer activity 1 cancer cell lines
In-Vivo anticancer activity No
TargetsCASP3 |   All | 
Properties Physical   Elemental  Topological
InChi KeyAIFCFBUSLAEIBR-UHFFFAOYSA-N
InChi1S/C32H22O10/c1-39-18-10-20(34)30-23(37)13-27(41-28(30)11-18)16-5-8-25(40-2)19(9-16)29-21(35)12-22(36)31-24(38)14-26(42-32(29)31)15-3-6-17(33)7-4-15/h3-14,33-36H,1-2H3
SMILESo1c2c(c3cc(c4oc5c(c(=O)c4)c(O)cc(OC)c5)ccc3OC)c(O)cc(O)c2c(=O)cc1c1ccc(O)cc1
SMART[H]OC1=C([H])C([H])=C(C([H])=C1[H])C1=C([H])C(=O)C2=C(O1)C(=C(O[H])C([H])=C2O[H])C1=C(OC([H])([H])[H])C([H])=C([H])C(=C1[H])C1=C([H])C(=O)C2=C(O[H])C([H])=C(OC([H])([H])[H])C([H])=C2O1
CAS No.481-46-9
Structure
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Cross Refrence in other databases
Super Natural   -
CTD   C077458
HIT   -
NCI-60 GI50 data   -
Suppliers ABI Chem, ChemMol, IS Chemical Technology, 
Drug-Likeliness Filters Lipinski's rule of five   No
Ghose filter   No
Veber filter   No
Muegge Filter   No
Similarity SearchHuman metabolite databaseFDA approved drugs

 






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