eugenol

Ligand id: 2425

Name: eugenol

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 0
Hydrogen bond donors 1
Rotatable bonds 3
Topological polar surface area 29.46
Molecular weight 164.08
XLogP 2.48
No. Lipinski's rules broken 0

Molecular properties generated using the CDK
Classification
Compound class Natural product or derivative
IUPAC Name
2-Methoxy-4-prop-2-enylphenol
Database Links
BindingDB Ligand 50164168
CAS Registry No. 97-53-0 (source: ChEBI)
ChEBI CHEBI:4917
ChEMBL Ligand CHEMBL42710
GtoPdb PubChem SID 135650247
PubChem CID 3314
RCSB PDB Ligand EOL
Search Google for chemical match using the InChIKey RRAFCDWBNXTKKO-UHFFFAOYSA-N
Search Google for chemicals with the same backbone RRAFCDWBNXTKKO
Search UniChem for chemical match using the InChIKey RRAFCDWBNXTKKO-UHFFFAOYSA-N
Search UniChem for chemicals with the same backbone RRAFCDWBNXTKKO
Wikipedia Eugenol