NPACT- Naturally occuring Plant based Anticancerous Compound-Activity-Target DataBase
CompoundArgentinic acid A methyl ester
NPACT-IdNPACT01132
IUPAC-
Synonyms-
PubChem Id44566303
ClassTerpenoids
In-vitro anticancer activity 1 cancer cell lines
In-Vivo anticancer activity No
TargetsNo targets found
Properties Physical   Elemental  Topological
InChi KeySCOHMQDRAZPUAU-ZCAFCYEMSA-N
InChi1S/C37H60O7/c1-11-23(4)32(39)33(40)44-30-20-29(34(5,6)41)36(8,17-15-31(38)42-10)28-14-16-35(7)26(12-13-27(35)37(28,30)9)24-19-25(43-21-24)18-22(2)3/h13,18,23-26,28-30,32,39,41H,11-12,14-17,19-21H2,1-10H3/t23-,24-,25-,26+,28-,29-,30-,32-,35+,36-,37+/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@@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])([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])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

 






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