carvacrol   Click here for help

GtoPdb Ligand ID: 2497

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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 1
Topological polar surface area 20.23
Molecular weight 150.1
XLogP 3.25
No. Lipinski's rules broken 0
SMILES / InChI / InChIKey
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Canonical SMILES CC(c1ccc(c(c1)O)C)C
Isomeric SMILES CC(c1ccc(c(c1)O)C)C
InChI InChI=1S/C10H14O/c1-7(2)9-5-4-8(3)10(11)6-9/h4-7,11H,1-3H3
InChI Key RECUKUPTGUEGMW-UHFFFAOYSA-N
Selectivity at ion channels
Key to terms and symbols Click column headers to sort
Target Sp. Type Action Value Parameter Concentration range (M) Reference
TRPV3 Mm Activator Full agonist - - 5x10-4 2
Conc range: 5x10-4 M [2]
Voltage: -80.0 – 80.0 mV
Description: Patch clamp electrophysiology
TRPM7 Mm Channel blocker Inhibition 3.5 pIC50 - 1
pIC50 3.5 (IC50 3x10-4 M) Reversible inhibition [1]
Voltage: -100.0 – 100.0 mV
Ligand mentioned in the following text fields