NPACT- Naturally occuring Plant based Anticancerous Compound-Activity-Target DataBase
CompoundWikstroelides I
NPACT-IdNPACT01016
IUPAC-
Synonyms-
PubChem Id-
ClassTerpenoids
In-vitro anticancer activity 2 cancer cell lines
In-Vivo anticancer activity No
TargetsNo targets found
Properties Physical   Elemental  Topological
InChi KeyWSKDOLPSNSWKFH-GJBURWKCSA-N
InChi1S/C54H84O11/c1-8-10-12-14-16-18-20-22-23-25-27-29-31-33-43(56)60-36-35-50-47(62-50)44-48-53(38(3)4)46(61-41(7)55)40(6)54(44,42-37-39(5)45(57)52(42,59)49(50)58)65-51(63-48,64-53)34-32-30-28-26-24-21-19-17-15-13-11-9-2/h28,30,32,34,37,40,42,44,46-49,58-59H
SMILES[C@]12([C@H]([C@@]3([C@H]([C@@H]4[C@]5([C@H]1C=C(C2=O)C)[C@H]([C@H]([C@@]1([C@H]4O[C@](O5)(O1)/C=C/C=C/CCCCCCCCCC)C(=C)C)OC(=O)C)C)O3)CCOC(=O)CCCCCCCCCCCCCCC)O)O
SMART[#6]CCCCCCCCCCCCCCC(=O)OCC[C@]12O[C@H]1[C@H]1[C@@H]3O[C@]4(O[C@@]3([C@H](OC([#6])=O)[C@H]([#6])[C@@]1(O4)[C@H]1C=C([#6])C(=O)[C@]1(O)[C@H]2O)C([#6])=C)C=CC=CCCCCCCCCC[#6]
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   No
Muegge Filter   No
Similarity SearchHuman metabolite databaseFDA approved drugs

 






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