NPACT- Naturally occuring Plant based Anticancerous Compound-Activity-Target DataBase
a a
CompoundArgentinic acid B methyl ester
NPACT-IdNPACT01133
IUPAC-
Synonyms-
PubChem Id44566304
ClassTerpenoids
In-vitro anticancer activtiy 1 cancer cell lines
In-Vivo anticancer activtiy No
TargetsNo targets found
Properties Physical   Elemental  Topological
InChi KeyZFPFCAIEEFUEBC-SNQMQBKMSA-N
InChi1S/C36H58O7/c1-21(2)17-24-18-23(20-42-24)25-11-12-26-34(25,7)15-13-27-35(8,16-14-30(37)41-10)28(33(5,6)40)19-29(36(26,27)9)43-32(39)31(38)22(3)4/h12,17,22-25,27-29,31,38,40H,11,13-16,18-20H2,1-10H3/t23-,24-,25+,27-,28-,29-,31-,34+,35-,36+/m1/s1
SMILESO([C@H]1[C@@]2([C@@H]([C@]([C@H](C1)C(O)(C)C)(CCC(=O)OC)C)CC[C@@]1(C2=CC[C@H]1[C@@H]1C[C@H](OC1)C=C(C)C)C)C)C(=O)[C@H](O)C(C)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])([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.