NPACT- Naturally occuring Plant based Anticancerous Compound-Activity-Target DataBase
a
CompoundNobiletin
NPACT-IdNPACT00817
IUPAC2-(3,4-dimethoxyphenyl)-5,6,7,8-tetramethoxychromen-4-one
SynonymsHexamethoxyflavone
PubChem Id72344
ClassFlavonoid
In-vitro anticancer activity 10 cancer cell lines
In-Vivo anticancer activity Yes
TargetsABCB1 | BAX | BCL2L1 | CASP3 | CCNB1 | CDC25C | CDK1 | PARP1 |   All | 
Properties Physical   Elemental  Topological
InChi KeyMRIAQLRQZPPODS-UHFFFAOYSA-N
InChi1S/C21H22O8/c1-23-13-8-7-11(9-15(13)24-2)14-10-12(22)16-17(25-3)19(26-4)21(28-6)20(27-5)18(16)29-14/h7-10H,1-6H3
SMILESo1c2c(c(OC)c(OC)c(OC)c2OC)c(=O)cc1c1cc(OC)c(OC)cc1
SMART[H]C1=C([H])C(=C([H])C(OC([H])([H])[H])=C1OC([H])([H])[H])C1=C([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.478-01-3
Structure
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Cross Refrence in other databases
Super Natural   -
CTD   C008661
HIT   C0582
NCI-60 GI50 data   478-01-3
Suppliers AAA Chemistry, ABI Chem, Ambinter, ChemFrog, ChemMol, Hangzhou APIChem Technology, MolPort, NIH Clinical Collection, Selleck Chemicals, TCI (Tokyo Chemical Industry), 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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