eugenol   Click here for help

GtoPdb Ligand ID: 2425

PDB Ligand
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2D Structure
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Physico-chemical Properties
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Hydrogen bond acceptors 0
Hydrogen bond donors 1
Rotatable bonds 3
Topological polar surface area 29.46
Molecular weight 164.08
XLogP 2.56
No. Lipinski's rules broken 0
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Canonical SMILES C=CCc1ccc(c(c1)OC)O
Isomeric SMILES C=CCc1ccc(c(c1)OC)O
InChI InChI=1S/C10H12O2/c1-3-4-8-5-6-9(11)10(7-8)12-2/h3,5-7,11H,1,4H2,2H3
Selectivity at ion channels
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Target Sp. Type Action Value Parameter Concentration range (M) Reference
TRPA1 Mm Activator Agonist - - 6x10-4 1
Conc range: 6x10-4 M [1]
Voltage: Physiological
TRPV3 Mm Activator Full agonist 2.5 pEC50 - 2
pEC50 2.5 [2]
Description: Patch clamp electrophysiology