NPACT- Naturally occuring Plant based Anticancerous Compound-Activity-Target DataBase
a a
Compound3-O-[beta-D-glucopyranosyl(1->2)-beta-D-galactopyranosyl(1->2)-beta-D-glucuronopyranosyl]olean-12-en-22-oxo-3-beta,24-diol methyl ester
NPACT-IdNPACT00138
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 KeyAYERNHBSMGERCB-WFUKFCNBSA-N
InChi1S/C46H72O20/c1-41(2)15-20-19-9-10-22-42(3)13-12-24(43(4,17-47)21(42)11-14-45(22,6)46(19,7)60-18-44(20,5)23(48)16-41)61-39-33(27(51)26(50)32(62-39)37(58)59-8)64-40-34(28(52)30(54)36(57)66-40)63-38-31(55)25(49)29(53)35(56)65-38/h9,20-22,24-36,38-40,47,49-5
SMILESC1C[C@@H]([C@@]([C@H]2[C@]1([C@H]1[C@@](CC2)([C@]2(C(=CC1)[C@H]1[C@@](CO2)(C(=O)CC(C1)(C)C)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])CC(=O)[C@]5([#6])CO[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.