NPACT- Naturally occuring Plant based Anticancerous Compound-Activity-Target DataBase
CompoundGlycitein
NPACT-IdNPACT01215
IUPAC-
Synonyms7,4'-Dihydroxy-6-methoxyisoflavone;7-Hydroxy-3-(4-hydroxyphenyl)-6-methoxy-4H-1-benzopyran-4-one ;4H-1-Benzopyran-4-one, 7-hydroxy-3-(4-hydroxyphenyl)-6-methoxy-
PubChem Id5317750
ClassFlavonoid
In-vitro anticancer activity 4 cancer cell lines
In-Vivo anticancer activity No
TargetsMMP3 | MMP9 |   All | 
Properties Physical   Elemental  Topological
InChi KeyDXYUAIFZCFRPTH-UHFFFAOYSA-N
InChi1S/C16H12O5/c1-20-15-6-11-14(7-13(15)18)21-8-12(16(11)19)9-2-4-10(17)5-3-9/h2-8,17-18H,1H3
SMILESo1c2c(c(=O)c(c3ccc(O)cc3)c1)cc(OC)c(O)c2
SMART[H]OC1=C([H])C([H])=C(C([H])=C1[H])C1=C([H])OC2=C([H])C(O[H])=C(OC([H])([H])[H])C([H])=C2C1=O
CAS No.40957-83-3
Structure
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Cross Refrence in other databases
Super Natural   -
CTD    C086566
HIT   C0266
NCI-60 GI50 data   -
Suppliers ABI Chem, Amadis Chemical, Ambinter, ChemFrog, ChemMol, Hangzhou APIChem Technology, IS Chemical Technology, MP Biomedicals, 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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