NPACT- Naturally occuring Plant based Anticancerous Compound-Activity-Target DataBase
CompoundJavanicoside F
NPACT-IdNPACT00695
IUPAC-
Synonyms-
PubChem Id11445415
ClassTerpenoids
In-vitro anticancer activtiy 1 cancer cell lines
In-Vivo anticancer activtiy No
TargetsNo targets found
Properties Physical   Elemental  Topological
InChi KeySVLMUIWHTIHSPF-JNNRAAQNSA-N
InChi1S/C33H44O16/c1-6-12(2)7-18(35)49-24-26-32-11-45-33(26,30(43)44-5)27(41)23(40)25(32)31(4)9-15(19(36)13(3)14(31)8-17(32)48-28(24)42)46-29-22(39)21(38)20(37)16(10-34)47-29/h7,9,13-14,16-17,20-27,29,34,37-41H,6,8,10-11H2,1-5H3/b12-7+/t13-,14-,16+,17+,20+,21-
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(/CC)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])=C(/C([H])([H])[H])C([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.