NPACT- Naturally occuring Plant based Anticancerous Compound-Activity-Target DataBase
CompoundTaiwaniaquinone H
NPACT-IdNPACT01340
IUPAC-
Synonyms-
PubChem Id11290884
ClassTerpenoids
In-vitro anticancer activity 1 cancer cell lines
In-Vivo anticancer activity No
TargetsNo targets found
Properties Physical   Elemental  Topological
InChi KeyVTLCOGFYOXOPRS-VTOVKPRRSA-N
InChi1S/C21H28O4/c1-11(2)13-16(23)14-12(10-22)19-20(3,4)8-7-9-21(19,5)15(14)17(24)18(13)25-6/h10-12,19H,7-9H2,1-6H3/t12-,19-,21+/m0/s1
SMILESO=C1C2=C([C@@H]([C@@H]3[C@@]2(CCCC3(C)C)C)C=O)C(=O)C(=C1OC)C(C)C
SMART[H]C(=O)[C@@]1([H])C2=C(C(=O)C(OC([H])([H])[H])=C(C2=O)[C@]([H])(C([H])([H])[H])C([H])([H])[H])[C@@]2(C([H])([H])[H])C([H])([H])C([H])([H])C([H])([H])[C@@](C([H])([H])[H])(C([H])([H])[H])[C@]12[H]
CAS No.-
Structure
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Cross Refrence in other databases
Super Natural   -
CTD   C516088
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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