oleocanthal

Ligand id: 6308

Name: oleocanthal

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 4
Hydrogen bond donors 1
Rotatable bonds 10
Topological polar surface area 80.67
Molecular weight 304.13
XLogP 2.18
No. Lipinski's rules broken 0

Molecular properties generated using the CDK

Classification
Compound class Natural product or derivative
IUPAC Name
2-(4-hydroxyphenyl)ethyl (E,3S)-4-formyl-3-(2-oxoethyl)hex-4-enoate
Synonyms
(-)-oleocanthal
Database Links
CAS Registry No. 289030-99-5 (source: SciFinder)
ChEMBL Ligand CHEMBL2172394
PubChem CID 11652416
Search Google for chemical match using the InChIKey VPOVFCBNUOUZGG-VAKDEWRISA-N
Search Google for chemicals with the same backbone VPOVFCBNUOUZGG
Wikipedia Oleocanthal