NPACT- Naturally occuring Plant based Anticancerous Compound-Activity-Target DataBase
a
Compound18-beta-Glycyrrhetinic acid
NPACT-IdNPACT01061
IUPAC-
SynonymsGlycyrrhizic acid ammonium salt glycyrrhiza root (licorice);3-O-(2-O-beta-D-Glucopyranuronosyl-alpha-D-glucopyranuronosyl)-18beta-glycyrrhetinic acid ammonium salt
PubChem Id10114
ClassTerpenoids
In-vitro anticancer activity 2 cancer cell lines
In-Vivo anticancer activity No
TargetsNo targets found
Properties Physical   Elemental  Topological
InChi KeyMPDGHEJMBKOTSU-YKLVYJNSSA-N
InChi1S/C30H46O4/c1-25(2)21-8-11-30(7)23(28(21,5)10-9-22(25)32)20(31)16-18-19-17-27(4,24(33)34)13-12-26(19,3)14-15-29(18,30)6/h16,19,21-23,32H,8-15,17H2,1-7H3,(H,33,34)/t19-,21-,22-,23+,26+,27-,28-,29+,30+/m0/s1
SMILESO[C@@H]1C([C@H]2[C@@]([C@@H]3[C@]([C@]4(C(=CC3=O)[C@H]3[C@@](CC4)(CC[C@](C3)(C)C(=O)O)C)C)(CC2)C)(CC1)C)(C)C
SMART[#6]C1([#6])[C@@H](O)CC[C@@]2([#6])[C@H]1CC[C@]1([#6])[C@@H]2C(=O)C=C2[C@@H]3C[C@]([#6])(CC[C@]3([#6])CC[C@@]12[#6])C(O)=O
CAS No.-
Structure
Download

Cross Refrence in other databases
Super Natural   000471534
CTD   -
HIT   -
NCI-60 GI50 data   -
Suppliers ABI Chem, Amadis Chemical, Ambinter, ChemExper Chemical Directory, ChemMol, FINETECH, Hangzhou APIChem Technology, MolPort, R&D Chemicals, Selleck Chemicals, Selleckbio, SigmaNAAldrich, TCI (Tokyo Chemical Industry), Therapeutic Targets Database, TimTec, 
Drug-Likeliness Filters Lipinski's rule of five   No
Ghose filter   No
Veber filter   Yes
Muegge Filter   No
Similarity SearchHuman metabolite databaseFDA approved drugs

 






Copyright © 2012. Subhash M. Agagrwal. All Rights Reserved.