NPACT- Naturally occuring Plant based Anticancerous Compound-Activity-Target DataBase
a
CompoundCurcusone A
NPACT-IdNPACT00464
IUPAC(2S,6aS)-2,5-dimethyl-10-methylidene-7-prop-1-en-2-yl-3,6a,7,8,9,10a-hexahydro-2H-benzo[h]azulene-1,4-dione
Synonyms-
PubChem Id175941
ClassTerpenoids
In-vitro anticancer activity 1 cancer cell lines
In-Vivo anticancer activity No
TargetsNo targets found
Properties Physical   Elemental  Topological
InChi KeyYTEYTHRWXHJPKG-GJEMEMOUSA-N
InChi1S/C20H24O2/c1-10(2)14-7-6-11(3)17-15(14)8-12(4)19(21)16-9-13(5)20(22)18(16)17/h8,13-15,17H,1,3,6-7,9H2,2,4-5H3/t13-,14?,15+,17?/m1/s1
SMILESO=C1C2=C(C[C@H]1C)C(=O)C(=C[C@@H]1[C@@H]2C(=C)CC[C@H]1C(=C)C)C
SMART[H]C([H])=C(/C([H])([H])[H])[C@]1([H])C([H])([H])C([H])([H])C(=C(/[H])[H])[C@]2([H])C3=C(C(=O)C(=C([H])[C@@]12[H])C([H])([H])[H])C([H])([H])[C@]([H])(C3=O)C([H])([H])[H]
CAS No.103630-34-8
Structure
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Cross Refrence in other databases
Super Natural   -
CTD   -
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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