NPACT- Naturally occuring Plant based Anticancerous Compound-Activity-Target DataBase
a
CompoundEmorydone
NPACT-IdNPACT00525
IUPAC6-chromen-2-ylidene-2,2,4,4-tetramethylcyclohexane-1,3,5-trione
Synonymsemorydone
PubChem Id10063979
ClassFlavonoid
In-vitro anticancer activity 5 cancer cell lines
In-Vivo anticancer activity No
TargetsNo targets found
Properties Physical   Elemental  Topological
InChi KeyKJTSEOZFKJNYBZ-UHFFFAOYSA-N
InChi1S/C19H18O4/c1-18(2)15(20)14(16(21)19(3,4)17(18)22)13-10-9-11-7-5-6-8-12(11)23-13/h5-10H,1-4H3
SMILESO=C1C(C(=O)C(=C2Oc3c(C=C2)cccc3)C(=O)C1(C)C)(C)C
SMART[H]C1=C([H])C([H])=C2C([H])=C([H])C(OC2=C1[H])=C1C(=O)[C@@](C(=O)[C@@](C1=O)(C([H])([H])[H])C([H])([H])[H])(C([H])([H])[H])C([H])([H])[H]
CAS No.-
Structure
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Cross Refrence in other databases
Super Natural   -
CTD   -
HIT   -
NCI-60 GI50 data   -
Suppliers NA, 
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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