NPACT- Naturally occuring Plant based Anticancerous Compound-Activity-Target DataBase
a
CompoundVibsanins R
NPACT-IdNPACT01368
IUPAC-
Synonyms-
PubChem Id11258097
ClassTerpenoids
In-vitro anticancer activity 1 cancer cell lines
In-Vivo anticancer activity No
TargetsNo targets found
Properties Physical   Elemental  Topological
InChi KeyCZECWCCJJGKHQY-HFHNTLNYSA-N
InChi1S/C25H36O4/c1-18(2)8-7-13-24(5)14-11-20(17-26)9-10-22-25(6,29-22)21(12-15-24)28-23(27)16-19(3)4/h7-8,11-12,15-16,21-22,26H,1,9-10,13-14,17H2,2-6H3/b8-7+,15-12+,20-11+/t21-,22+,24+,25+/m1/s1
SMILESO1[C@@]2([C@@H]1CCC(=CC[C@@](C=C[C@H]2OC(=O)C=C(C)C)(C/C=C/C(=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(=C([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   No
Ghose filter   Yes
Veber filter   Yes
Muegge Filter   No
Similarity SearchHuman metabolite databaseFDA approved drugs

 






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