NPACT- Naturally occuring Plant based Anticancerous Compound-Activity-Target DataBase
CompoundWikstroelides E
NPACT-IdNPACT01015
IUPAC-
Synonyms-
PubChem Id-
ClassTerpenoids
In-vitro anticancer activtiy 2 cancer cell lines
In-Vivo anticancer activtiy No
TargetsNo targets found
Properties Physical   Elemental  Topological
InChi KeyYWWRNHONLWHJHH-WRUHYVIPSA-N
InChi1S/C39H50O8/c1-20(2)37-34-18-14-9-7-8-11-15-21(3)26-22(4)29(43-23(5)25-16-12-10-13-17-25)35(42)28(26)36-24(6)38(34,47-36)39(37,46-34)31(45-37)27(36)30-33(19-40,44-30)32(35)41/h10,12-13,16-17,21-22,24,26-32,40-42H,1,5,7-9,11,14-15,18-19H2,2-4,6H3/t21-,22-,
SMILES[C@]123[C@@H]4[C@]5([C@@H]([C@]6([C@@H]([C@@H]1[C@H]1[C@]78[C@@]([C@@H]2C)(O3)[C@]([C@@]7(C(=C)C)O1)(O8)CCCCCCC[C@@H]([C@H]4[C@@H]([C@H]5OC(=C)c1ccccc1)C)C)O6)CO)O)O
SMART[H][C@]12[C@H]([#6])[C@@H](OC(=C)C3=CC=CC=C3)[C@@]3(O)C1[C@]14O[C@@]5([C@@H]1[#6])[C@@]1(CCCCCCC[C@]2([H])[#6])O[C@@]52[C@@H](O[C@]12C([#6])=C)[C@H]4[C@H]1O[C@@]1(CO)[C@H]3O
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   No
Veber filter   Yes
Muegge Filter   No
Similarity SearchHuman metabolite databaseFDA approved drugs

 






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