NPACT- Naturally occuring Plant based Anticancerous Compound-Activity-Target DataBase
a
Compoundcandidone
NPACT-IdNPACT01158
IUPAC-
Synonyms(2S)-5,7-dimethoxy-8-(3-methylbut-2-en-1-yl)-2-phenyl-2,3-dihydro-4H-chromen-4-one
PubChem Id14033978
ClassFlavonoid
In-vitro anticancer activity 1 cancer cell lines
In-Vivo anticancer activity No
TargetsNo targets found
Properties Physical   Elemental  Topological
InChi KeyJYESOAFLKFHYHP-UHFFFAOYSA-N
InChi1S/C22H24O4/c1-14(2)10-11-16-19(24-3)13-20(25-4)21-17(23)12-18(26-22(16)21)15-8-6-5-7-9-15/h5-10,13,18H,11-12H2,1-4H3
SMILESO1C(CC(=O)c2c1c(CC=C(C)C)c(OC)cc2OC)c1ccccc1
SMART[H]C(=C(C([H])([H])[H])C([H])([H])[H])C([H])([H])C1=C2O[C@@]([H])(C3=C([H])C([H])=C([H])C([H])=C3[H])C([H])([H])C(=O)C2=C(OC([H])([H])[H])C([H])=C1OC([H])([H])[H]
CAS No.77727-18-5
Structure
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Cross Refrence in other databases
Super Natural   -
CTD   -
HIT   -
NCI-60 GI50 data   -
Suppliers ChemFrog, 
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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