NPACT- Naturally occuring Plant based Anticancerous Compound-Activity-Target DataBase
Compound3-O-[beta-D-glucopyranosyl(1->2)-beta-D-galactopyranosyl(1->2)-beta-D-glucuronopyranosyl]olean-12-en-3-beta,22-beta,24-triol methyl ester
NPACT-IdNPACT00140
IUPAC-
Synonyms-
PubChem Id-
ClassTerpenoids
In-vitro anticancer activtiy 3 cancer cell lines
In-Vivo anticancer activtiy No
TargetsNo targets found
Properties Physical   Elemental  Topological
InChi KeyAUDMMZAMIXEFOO-MFWTXDGPSA-N
InChi1S/C47H76O19/c1-42(2)17-21-20-9-10-23-44(4)13-12-25(45(5,19-48)22(44)11-14-47(23,7)46(20,6)16-15-43(21,3)24(49)18-42)61-40-34(28(52)27(51)33(62-40)38(59)60-8)64-41-35(29(53)31(55)37(58)66-41)63-39-32(56)26(50)30(54)36(57)65-39/h9,21-37,39-41,48-58H,10-19H
SMILESC1C[C@@H]([C@@]([C@H]2[C@]1([C@H]1[C@@](CC2)([C@]2(C(=CC1)[C@@H]1[C@@](CC2)([C@H](CC(C1)(C)C)O)C)C)C)C)(CO)C)O[C@H]1O[C@@H]([C@H]([C@@H]([C@H]1O[C@H]1O[C@@H]([C@H]([C@@H]([C@H]1O[C@H]1O[C@@H]([C@H]([C@@H]([C@H]1O)O)O)O)O)O)O)O)O)C(=O)OC
SMART[#6]OC(=O)[C@H]1O[C@H](O[C@H]2CC[C@@]3([#6])[C@@H](CC[C@]4([#6])[C@H]3CC=C3[C@H]5C[C@@]([#6])([#6])C[C@H](O)[C@]5([#6])CC[C@@]43[#6])[C@@]2([#6])CO)[C@H](O[C@H]2O[C@H](O)[C@@H](O)[C@H](O)[C@H]2O[C@H]2O[C@H](O)[C@@H](O)[C@H](O)[C@H]2O)[C@@H](O)[C@@H]1O
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.