NPACT- Naturally occuring Plant based Anticancerous Compound-Activity-Target DataBase
a
CompoundWithaphysacarpin
NPACT-IdNPACT01020
IUPAC-
Synonyms-
PubChem Id44567005
ClassSteroids
In-vitro anticancer activity 6 cancer cell lines
In-Vivo anticancer activity No
TargetsNo targets found
Properties Physical   Elemental  Topological
InChi KeyCZKZWDJWVZTWCF-KUQCCCELSA-N
InChi1S/C28H40O7/c1-13-10-21(34-24(32)14(13)2)27(5,33)23-18(29)12-17-15-11-22-28(35-22)20(31)7-6-19(30)26(28,4)16(15)8-9-25(17,23)3/h6-7,13-18,20-23,29,31,33H,8-12H2,1-5H3/t13-,14+,15+,16-,17-,18-,20-,21+,22+,23-,25-,26-,27-,28+/m0/s1
SMILESO1[C@@]23[C@]([C@@H]4[C@H]([C@H]5[C@@]([C@H]([C@@H](O)C5)[C@@](O)([C@@H]5OC(=O)[C@@H]([C@H](C5)C)C)C)(CC4)C)C[C@@H]12)(C)C(=O)C=C[C@@H]3O
SMART[H]O[C@@]1([H])C([H])([H])[C@@]2([H])[C@]3([H])C([H])([H])[C@@]4([H])O[C@]44[C@@]([H])(O[H])C([H])=C([H])C(=O)[C@]4(C([H])([H])[H])[C@@]3([H])C([H])([H])C([H])([H])[C@]2(C([H])([H])[H])[C@@]1([H])[C@](O[H])(C([H])([H])[H])[C@]1([H])OC(=O)[C@]([H])(C([H])([H])[H])[C@@]([H])(C([H])([H])[H])C1([H])[H]
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   Yes
Ghose filter   No
Veber filter   Yes
Muegge Filter   Yes
Similarity SearchHuman metabolite databaseFDA approved drugs

 






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