NPACT- Naturally occuring Plant based Anticancerous Compound-Activity-Target DataBase
CompoundCurcusone C
NPACT-IdNPACT00466
IUPAC(2R,6aS)-2-hydroxy-2,5-dimethyl-10-methylidene-7-prop-1-en-2-yl-3,6a,7,8,9,10a-hexahydrobenzo[h]azulene-1,4-dione
Synonyms-
PubChem Id175942
ClassTerpenoids
In-vitro anticancer activtiy 1 cancer cell lines
In-Vivo anticancer activtiy No
TargetsNo targets found
Properties Physical   Elemental  Topological
InChi KeyDBPPEQIYWCILTJ-DNUKQYJSSA-N
InChi1S/C20H24O3/c1-10(2)13-7-6-11(3)16-14(13)8-12(4)18(21)15-9-20(5,23)19(22)17(15)16/h8,13-14,16,23H,1,3,6-7,9H2,2,4-5H3/t13?,14-,16?,20-/m0/s1
SMILESO[C@]1(CC2=C([C@@H]3[C@H]([C@@H](CCC3=C)C(=C)C)C=C(C2=O)C)C1=O)C
SMART[H]O[C@@]1(C(=O)C2=C(C(=O)C(=C([H])[C@]3([H])[C@]2([H])C(=C([H])[H])C([H])([H])C([H])([H])[C@@]3([H])C(=C([H])[H])C([H])([H])[H])C([H])([H])[H])C1([H])[H])C([H])([H])[H]
CAS No.103630-35-9
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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