NPACT- Naturally occuring Plant based Anticancerous Compound-Activity-Target DataBase
CompoundWikstroelides A
NPACT-IdNPACT01013
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 KeyADIURPPZKNTYEV-PAXAYDPZSA-N
InChi1S/C36H50O10/c1-7-8-9-10-11-12-13-14-15-16-17-18-33-44-30-26-29-32(20-37,43-29)31(40)34(41)25(19-22(4)27(34)39)36(26,46-33)23(5)28(42-24(6)38)35(30,45-33)21(2)3/h15-19,23,25-26,28-31,37,40-41H,2,7-14,20H2,1,3-6H3/b16-15+,18-17+/t23-,25-,26-,28+,29-,30+,31
SMILES[C@@]123[C@@H]4C=C(C(=O)[C@]4([C@H]([C@]4([C@H](O4)[C@@H]2[C@H]2[C@]([C@H]([C@H]1C)OC(=O)C)(C(=C)C)O[C@@](O3)(O2)/C=C/C=C/CCCCCCCCC)CO)O)O)C
SMART[#6]CCCCCCCCC=CC=C[C@@]12O[C@H]3[C@H]4[C@H]5O[C@@]5(CO)[C@H](O)[C@@]5(O)[C@@H](C=C([#6])C5=O)[C@]4(O1)[C@H]([#6])[C@H](OC([#6])=O)[C@]3(O2)C([#6])=C
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.