vanillylmandelic acid

Ligand id: 6645

Name: vanillylmandelic acid

Abbreviated name: VMA

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 3
Hydrogen bond donors 3
Rotatable bonds 3
Topological polar surface area 86.99
Molecular weight 198.05
XLogP -0.15
No. Lipinski's rules broken 0

Molecular properties generated using the CDK

Classification
Compound class Metabolite or derivative
IUPAC Name
2-hydroxy-2-(4-hydroxy-3-methoxyphenyl)acetic acid
Database Links
CAS Registry No. 55-10-7
ChEBI CHEBI:20106
ChEMBL Ligand CHEMBL1256396
PubChem CID 1245
Search Google for chemical match using the InChIKey CGQCWMIAEPEHNQ-UHFFFAOYSA-N
Search Google for chemicals with the same backbone CGQCWMIAEPEHNQ
Search UniChem for chemical match using the InChIKey CGQCWMIAEPEHNQ-UHFFFAOYSA-N
Search UniChem for chemicals with the same backbone CGQCWMIAEPEHNQ
Wikipedia Vanillylmandelic_acid