NPACT- Naturally occuring Plant based Anticancerous Compound-Activity-Target DataBase
Compound2(R)-hydroxybutanedioic acid 1-methyl ester
NPACT-IdNPACT00060
IUPAC(3R)-3-hydroxy-4-methoxy-4-oxobutanoic acid
Synonyms-
PubChem Id14988492
ClassAliphatic natural products
In-vitro anticancer activity 2 cancer cell lines
In-Vivo anticancer activity No
TargetsNo targets found
Properties Physical   Elemental  Topological
InChi KeyRTSODCRZYKSCLO-GSVOUGTGSA-N
InChi1S/C5H8O5/c1-10-5(9)3(6)2-4(7)8/h3,6H,2H2,1H3,(H,7,8)/t3-/m1/s1
SMILESO[C@H](CC(=O)O)C(=O)OC
SMART[#6]OC(=O)[C@H](O)CC(O)=O
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   Yes
Ghose filter   No
Veber filter   Yes
Muegge Filter   No
Similarity SearchHuman metabolite databaseFDA approved drugs

 






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