NPACT- Naturally occuring Plant based Anticancerous Compound-Activity-Target DataBase
CompoundVibsanins W
NPACT-IdNPACT01372
IUPAC-
Synonyms-
PubChem Id10411484
ClassTerpenoids
In-vitro anticancer activtiy 3 cancer cell lines
In-Vivo anticancer activtiy No
TargetsNo targets found
Properties Physical   Elemental  Topological
InChi KeyQITBJTPHBLIQAN-SGVLUOOISA-N
InChi1S/C25H38O7/c1-16(2)13-22(29)32-12-9-20-19(14-17(3)27)23(30)18(15-26)7-10-25(20,6)11-8-21(28)24(4,5)31/h7,9,12-13,19-21,26,28,31H,8,10-11,14-15H2,1-6H3/b12-9+/t19-,20-,21?,25+/m0/s1
SMILESOC(CC[C@@]1([C@H]([C@@H](C(=O)C(=CC1)CO)CC(=O)C)/C=C/OC(=O)C=C(C)C)C)C(O)(C)C
SMART[H]OC([H])([H])C1=C([H])C([H])([H])[C@](C([H])([H])[H])(C([H])([H])C([H])([H])[C@]([H])(O[H])[C@@](O[H])(C([H])([H])[H])C([H])([H])[H])[C@@]([H])(C([H])=C(/[H])OC(=O)C([H])=C(C([H])([H])[H])C([H])([H])[H])[C@@]([H])(C1=O)C([H])([H])C(=O)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   No
Muegge Filter   Yes
Similarity SearchHuman metabolite databaseFDA approved drugs

 






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