artepillin C

Ligand id: 6302

Name: artepillin C

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 2
Hydrogen bond donors 2
Rotatable bonds 6
Topological polar surface area 57.53
Molecular weight 300.17
XLogP 4.83
No. Lipinski's rules broken 0

Molecular properties generated using the CDK

Compound class Natural product or derivative
(E)-3-[4-hydroxy-3,5-bis(3-methylbut-2-enyl)phenyl]prop-2-enoic acid
Database Links
CAS Registry No. 72944-19-5 (source: Scifinder)
ChEMBL Ligand CHEMBL456309
PubChem CID 5472440
Search Google for chemical match using the InChIKey KABCFARPAMSXCC-JXMROGBWSA-N
Search Google for chemicals with the same backbone KABCFARPAMSXCC