NPACT- Naturally occuring Plant based Anticancerous Compound-Activity-Target DataBase
a
CompoundGenistin
NPACT-IdNPACT01214
IUPAC-
SynonymsGenistoside;Genistein 7-glucoside;Genisteol 7-monoglucoside;Genistein, 7-O-beta-D-glucoside;
PubChem Id5281377
ClassFlavonoid
In-vitro anticancer activity 2 cancer cell lines
In-Vivo anticancer activity No
TargetsNo targets found
Properties Physical   Elemental  Topological
InChi KeyZCOLJUOHXJRHDI-CMWLGVBASA-N
InChi1S/C21H20O10/c22-7-15-18(26)19(27)20(28)21(31-15)30-11-5-13(24)16-14(6-11)29-8-12(17(16)25)9-1-3-10(23)4-2-9/h1-6,8,15,18-24,26-28H,7H2/t15-,18-,19+,20-,21-/m1/s1
SMILESO1[C@@H]([C@@H](O)[C@H](O)[C@@H](O)[C@@H]1Oc1cc2occ(c(=O)c2c(O)c1)c1ccc(O)cc1)CO
SMART[H]OC1=C([H])C([H])=C(C([H])=C1[H])C1=C([H])OC2=C([H])C(O[C@]3([H])O[C@]([H])(C([H])([H])O[H])[C@@]([H])(O[H])[C@]([H])(O[H])[C@@]3([H])O[H])=C([H])C(O[H])=C2C1=O
CAS No.529-59-9
Structure
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Cross Refrence in other databases
Super Natural   -
CTD   C040641
HIT   C0345
NCI-60 GI50 data   529-59-9
Suppliers ABI Chem, Ambinter, ChemMol, MolPort, R&D Chemicals, Sigma-Aldrich, ZINC, 
Drug-Likeliness Filters Lipinski's rule of five   No
Ghose filter   Yes
Veber filter   No
Muegge Filter   No
Similarity SearchHuman metabolite databaseFDA approved drugs

 






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