NPACT- Naturally occuring Plant based Anticancerous Compound-Activity-Target DataBase
CompoundVibsanins Q
NPACT-IdNPACT01367
IUPAC-
Synonyms-
PubChem Id11154724
ClassTerpenoids
In-vitro anticancer activtiy 1 cancer cell lines
In-Vivo anticancer activtiy No
TargetsNo targets found
Properties Physical   Elemental  Topological
InChi KeyTVVRWBNLBVCRPH-XYBUGXQZSA-N
InChi1S/C26H40O5/c1-19(2)17-23(28)30-21-12-16-25(5,14-8-13-24(3,4)29-7)15-11-20(18-27)9-10-22-26(21,6)31-22/h8,11-13,16-17,21-22,27H,9-10,14-15,18H2,1-7H3/b13-8+,16-12+,20-11+/t21-,22+,25+,26+/m1/s1
SMILESO1[C@@]2([C@@H]1CCC(=CC[C@@](C=C[C@H]2OC(=O)C=C(C)C)(C/C=C/C(OC)(C)C)C)CO)C
SMART[H]OC([H])([H])C1=C([H])/C([H])([H])[C@](C([H])=C([H])[C@@]([H])(OC(=O)C([H])=C(/C([H])([H])[H])C([H])([H])[H])[C@@]2(O[C@@]2([H])C([H])([H])C1([H])[H])C([H])([H])[H])(C([H])([H])[H])C([H])([H])C([H])=C(/[H])[C@@](OC([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   No
Veber filter   Yes
Muegge Filter   Yes
Similarity SearchHuman metabolite databaseFDA approved drugs

 






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