caffeic acid

Ligand id: 5155

Name: caffeic acid

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 2
Hydrogen bond donors 3
Rotatable bonds 2
Topological polar surface area 77.76
Molecular weight 180.04
XLogP 1.14
No. Lipinski's rules broken 0

Molecular properties generated using the CDK

Classification
Compound class Natural product or derivative
IUPAC Name
(2E)-3-(3,4-dihydroxyphenyl)prop-2-enoic acid
Database Links
CAS Registry No. 331-39-5
ChEBI CHEBI:36281
ChEMBL Ligand CHEMBL145
Human Metabolome Database HMDB01964
PubChem CID 689043
RCSB PDB Ligand DHC
Search Google for chemical match using the InChIKey QAIPRVGONGVQAS-DUXPYHPUSA-N
Search Google for chemicals with the same backbone QAIPRVGONGVQAS
Wikipedia Caffeic_acid