NPACT- Naturally occuring Plant based Anticancerous Compound-Activity-Target DataBase
CompoundSarsasapogenin
NPACT-IdNPACT00937
IUPAC-
Synonyms(3beta,5beta,25S)-spirostan-3-ol;Tigogenin;Sarsasapogenin;Smilagenin
PubChem Id219836
ClassSteroids
In-vitro anticancer activity 1 cancer cell lines
In-Vivo anticancer activity No
TargetsNo targets found
Properties Physical   Elemental  Topological
InChi KeyGMBQZIIUCVWOCD-UHFFFAOYSA-N
InChi1S/C27H44O3/c1-16-7-12-27(29-15-16)17(2)24-23(30-27)14-22-20-6-5-18-13-19(28)8-10-25(18,3)21(20)9-11-26(22,24)4/h16-24,28H,5-15H2,1-4H3
SMILESO1[C@@H]2[C@@H]([C@@]3([C@@H]([C@@H]4[C@H]([C@]5([C@H](CC4)C[C@H](O)CC5)C)CC3)C2)C)[C@@H]([C@@]21OC[C@@H](CC2)C)C
SMART[H]O[C@]1([H])C([H])([H])C([H])([H])[C@]2(C([H])([H])[H])[C@]([H])(C([H])([H])C([H])([H])[C@]3([H])[C@@]4([H])C([H])([H])[C@]5([H])O[C@@]6(OC([H])([H])[C@]([H])(C([H])([H])[H])C([H])([H])C6([H])[H])[C@@]([H])(C([H])([H])[H])[C@]5([H])[C@@]4(C([H])([H])[H])C([H])([H])C([H])([H])[C@@]23[H])C1([H])[H]
CAS No.90147-57-2
Structure
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Cross Refrence in other databases
Super Natural   -
CTD   C046297
HIT   -
NCI-60 GI50 data   -
Suppliers ABI Chem, ChemFrog, MP Biomedicals, 
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.