NPACT- Naturally occuring Plant based Anticancerous Compound-Activity-Target DataBase
CompoundVibsanins T
NPACT-IdNPACT01370
IUPAC-
Synonyms-
PubChem Id11441439
ClassTerpenoids
In-vitro anticancer activtiy 1 cancer cell lines
In-Vivo anticancer activtiy No
TargetsNo targets found
Properties Physical   Elemental  Topological
InChi KeyZCZKJKIOPWIFME-XWMBFTBISA-N
InChi1S/C25H36O5/c1-18(2)16-22(27)29-20-11-15-24(5,13-7-12-23(3,4)28)14-10-19(17-26)8-9-21-25(20,6)30-21/h7,10-12,15-17,20-21,28H,8-9,13-14H2,1-6H3/b12-7+,15-11+,19-10+/t20-,21+,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(O)(C)C)C)C=O)C
SMART[H]O[C@](C([H])=C(/[H])C([H])([H])[C@@]1(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])C([H])([H])C(C(=O)[H])=C([H])/C1([H])[H])C([H])([H])[H])C([H])([H])[H])(C([H])([H])[H])C([H])([H])[H]
CAS No.-
Structure
Download

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

 






Copyright © 2012. Subhash M. Agagrwal. All Rights Reserved.