NPACT- Naturally occuring Plant based Anticancerous Compound-Activity-Target DataBase
a
Compound3,3',4',5,6,7,8-heptamethoxyflavone
NPACT-IdNPACT00104
IUPAC2-(3,4-dimethoxyphenyl)-3,5,6,7,8-pentamethoxychromen-4-one
SynonymsHepta-3; 3,5,6,7,8,3',4'-Heptamethoxyflavone
PubChem Id150893
ClassFlavonoid
In-vitro anticancer activity 10 cancer cell lines
In-Vivo anticancer activity No
TargetsABCB1 |   All | 
Properties Physical   Elemental  Topological
InChi KeySSXJHQZOHUYEGD-UHFFFAOYSA-N
InChi1S/C22H24O9/c1-24-12-9-8-11(10-13(12)25-2)16-19(27-4)15(23)14-17(26-3)20(28-5)22(30-7)21(29-6)18(14)31-16/h8-10H,1-7H3
SMILESo1c2c(c(OC)c(OC)c(OC)c2OC)c(=O)c(OC)c1c1cc(OC)c(OC)cc1
SMART[H]C1=C([H])C(=C([H])C(OC([H])([H])[H])=C1OC([H])([H])[H])C1=C(OC([H])([H])[H])C(=O)C2=C(O1)C(OC([H])([H])[H])=C(OC([H])([H])[H])C(OC([H])([H])[H])=C2OC([H])([H])[H]
CAS No.1178-24-1
Structure
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Cross Refrence in other databases
Super Natural   -
CTD   C059294
HIT   -
NCI-60 GI50 data   -
Suppliers ABI Chem, 
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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