NPACT- Naturally occuring Plant based Anticancerous Compound-Activity-Target DataBase
CompoundTaiwaniaquinol A
NPACT-IdNPACT01338
IUPAC-
Synonyms-
PubChem Id15276284
ClassTerpenoids
In-vitro anticancer activity 1 cancer cell lines
In-Vivo anticancer activity No
TargetsNo targets found
Properties Physical   Elemental  Topological
InChi KeyWZYATGGRHPWBCT-VTOVKPRRSA-N
InChi1S/C21H28O4/c1-11(2)13-16(23)14-12(9-22)19-20(3,4)7-6-8-21(19,5)15(14)18-17(13)24-10-25-18/h9,11-12,19,23H,6-8,10H2,1-5H3/t12-,19-,21+/m0/s1
SMILESO1c2c3[C@@]4([C@H](C(CCC4)(C)C)[C@H](c3c(O)c(c2OC1)C(C)C)C=O)C
SMART[H]OC1=C(C2=C(OC([H])([H])O2)C2=C1[C@]([H])(C([H])=O)[C@]1([H])[C@]2(C([H])([H])[H])C([H])([H])C([H])([H])C([H])([H])[C@@]1(C([H])([H])[H])C([H])([H])[H])[C@@]([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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