NPACT- Naturally occuring Plant based Anticancerous Compound-Activity-Target DataBase
CompoundJavanicoside E
NPACT-IdNPACT00694
IUPAC-
Synonyms-
PubChem Id11274270
ClassTerpenoids
In-vitro anticancer activtiy 1 cancer cell lines
In-Vivo anticancer activtiy No
TargetsNo targets found
Properties Physical   Elemental  Topological
InChi KeyRNORYGZHCHYTFY-PXHAWNDJSA-N
InChi1S/C36H50O18/c1-13(33(4,5)54-15(3)38)8-20(39)53-26-28-35-12-49-36(28,32(47)48-7)29(45)25(44)27(35)34(6)10-17(21(40)14(2)16(34)9-19(35)52-30(26)46)50-31-24(43)23(42)22(41)18(11-37)51-31/h10,13-14,16,18-19,22-29,31,37,41-45H,8-9,11-12H2,1-7H3/t13?,14-,16-,1
SMILESO1[C@]2([C@H]3[C@]4([C@@H]([C@@]5([C@@H](C[C@H]4OC(=O)[C@@H]3OC(=O)C[C@H](C(OC(=O)C)(C)C)C)[C@@H](C(=O)C(=C5)O[C@@H]3O[C@@H]([C@@H](O)[C@H](O)[C@H]3O)CO)C)C)[C@@H](O)[C@@H]2O)C1)C(=O)OC
SMART[H]OC([H])([H])[C@@]1([H])O[C@@]([H])(OC2=C([H])[C@@]3(C([H])([H])[H])[C@@]([H])(C([H])([H])[C@@]4([H])OC(=O)[C@]([H])(OC(=O)C([H])([H])[C@@]([H])(C([H])([H])[H])[C@](OC(=O)C([H])([H])[H])(C([H])([H])[H])C([H])([H])[H])[C@@]5([H])[C@@]6(OC([H])([H])[C@]45[C@]3([H])[C@@]([H])(O[H])[C@]6([H])O[H])C(=O)OC([H])([H])[H])[C@@]([H])(C2=O)C([H])([H])[H])[C@]([H])(O[H])[C@@]([H])(O[H])[C@]1([H])O[H]
CAS No.-
Structure
Download

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.