NPACT- Naturally occuring Plant based Anticancerous Compound-Activity-Target DataBase
a
CompoundArgentinic acid F methyl ester
NPACT-IdNPACT01137
IUPAC-
Synonyms-
PubChem Id44566308
ClassTerpenoids
In-vitro anticancer activity 1 cancer cell lines
In-Vivo anticancer activity No
TargetsNo targets found
Properties Physical   Elemental  Topological
InChi KeyQLMYBZIYENWLSH-HJVQIDLXSA-N
InChi1S/C42H68O10/c1-13-25(6)35(45)38(47)51-29-21-41(10)28(26-19-27(50-22-26)18-23(2)3)14-15-30(41)42(11)32(52-37(46)34(44)24(4)5)20-31(39(7,8)48)40(9,36(29)42)17-16-33(43)49-12/h15,18,24-29,31-32,34-36,44-45,48H,13-14,16-17,19-22H2,1-12H3/t25-,26-,27-,28+,29-
SMILESO([C@H]1[C@H]2[C@](C3=CC[C@H]([C@@]3(C1)C)[C@@H]1C[C@H](OC1)C=C(C)C)([C@H](OC(=O)[C@H](O)C(C)C)C[C@@H]([C@@]2(CCC(=O)OC)C)C(O)(C)C)C)C(=O)[C@H](O)[C@@H](CC)C
SMART[H]O[C@@]([H])(C(=O)O[C@]1([H])C([H])([H])[C@]([H])([C@@](O[H])(C([H])([H])[H])C([H])([H])[H])[C@](C([H])([H])[H])(C([H])([H])C([H])([H])C(=O)OC([H])([H])[H])[C@@]2([H])[C@]([H])(OC(=O)[C@]([H])(O[H])[C@]([H])(C([H])([H])[H])C([H])([H])C([H])([H])[H])C([H])([H])[C@@]3(C(=C([H])C([H])([H])[C@@]3([H])[C@@]3([H])C([H])([H])O[C@]([H])(C([H])=C(C([H])([H])[H])C([H])([H])[H])C3([H])[H])[C@]12C([H])([H])[H])C([H])([H])[H])[C@@]([H])(C([H])([H])[H])C([H])([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   No
Ghose filter   No
Veber filter   No
Muegge Filter   No
Similarity SearchHuman metabolite databaseFDA approved drugs

 






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