Compound Synopsis
Compound Overview
Bioactivity Data Summary
Protein Affinity Profile
Cellline Sensitivity Profile

1016538 - Overview - Compound Synopsis

Synonyms
2-(3,4-Dimethoxybenzyl)Malonic Acid88R
Molecular Formula
C12H14O6
InChI
InChI=1S/C12H14O6/c1-17-9-4-3-7(6-10(9)18-2)5-8(11(13)14)12(15)16/h3-4,6,8H,5H2,1-2H3,(H,13,14)(H,15,16)
Smiles
COc1ccc(CC(C(=O)O)C(=O)O)cc1OC
Cross References
UniChem23030024
canSAR1016538
ChEMBLCHEMBL2059003
PDBe (Protein Data Bank Europe)88R
BindingDB86125
Commercially Available
Yes


MOLECULAR_WEIGHT ALOGP HBOND_DONORS HBOND_ACCEPTORS ATOMS CONTAINS_TOXICOPHORE
Properties 254.0790381681.03172632No