NPACT- Naturally occuring Plant based Anticancerous Compound-Activity-Target DataBase
a
CompoundAmentoflavone
NPACT-IdNPACT00256
IUPAC2-[(2R)-2-hydroxyheptadecyl]-2-methoxy-1-oxaspiro[4.5]deca-6,9-dien-8-one
SynonymsDidemethyl-ginkgetin
PubChem Id5281600
ClassFlavonoid
In-vitro anticancer activity 2 cancer cell lines
In-Vivo anticancer activity No
TargetsNo targets found
Properties Physical   Elemental  Topological
InChi KeyYUSWMAULDXZHPY-UHFFFAOYSA-N
InChi1S/C30H18O10/c31-15-4-1-13(2-5-15)24-12-23(38)29-21(36)10-20(35)27(30(29)40-24)17-7-14(3-6-18(17)33)25-11-22(37)28-19(34)8-16(32)9-26(28)39-25/h1-12,31-36H
SMILESo1c2c(c3cc(c4oc5c(c(=O)c4)c(O)cc(O)c5)ccc3O)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(O[H])C([H])=C([H])C(=C1[H])C1=C([H])C(=O)C2=C(O[H])C([H])=C(O[H])C([H])=C2O1
CAS No.1617-53-4
Structure
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Cross Refrence in other databases
Super Natural   001617534
CTD   C011164
HIT   -
NCI-60 GI50 data   -
Suppliers ABI Chem, AKos Consulting & Solutions, Ambinter, Angene International, Calbiochem, ChemFrog, ChemMol, Hangzhou APIChem Technology, HDH Pharma, MolPort, R&D Chemicals, Selleck Chemicals, Sigma-Aldrich, TCI (Tokyo Chemical Industry), Therapeutic Targets Database, TimTec, Vitas-M Laboratory, ZINC, 
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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