NPACT- Naturally occuring Plant based Anticancerous Compound-Activity-Target DataBase
CompoundArgentinic acid C methyl ester
NPACT-IdNPACT01134
IUPAC-
Synonyms-
PubChem Id44566306
ClassTerpenoids
In-vitro anticancer activtiy 1 cancer cell lines
In-Vivo anticancer activtiy No
TargetsNo targets found
Properties Physical   Elemental  Topological
InChi KeyAYIIDASEHCSCIW-BGFFBJHGSA-N
InChi1S/C43H68O10/c1-13-25(5)35(45)38(47)52-30-22-42(10)29(27-20-28(51-23-27)19-24(3)4)15-16-31(42)43(11)33(53-39(48)36(46)26(6)14-2)21-32(40(7,8)49)41(9,37(30)43)18-17-34(44)50-12/h14,16,19,25,27-30,32-33,35-37,45-46,49H,13,15,17-18,20-23H2,1-12H3/b26-14+/t25
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[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([H])([H])[H])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(=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.