geraniol   Click here for help

GtoPdb Ligand ID: 2467

PDB Ligand
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2D Structure
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Physico-chemical Properties
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Hydrogen bond acceptors 1
Hydrogen bond donors 1
Rotatable bonds 4
Topological polar surface area 20.23
Molecular weight 154.14
XLogP 2.52
No. Lipinski's rules broken 0
SMILES / InChI / InChIKey
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Canonical SMILES OCC=C(CCC=C(C)C)C
Isomeric SMILES OC/C=C(/CCC=C(C)C)\C
InChI InChI=1S/C10H18O/c1-9(2)5-4-6-10(3)7-8-11/h5,7,11H,4,6,8H2,1-3H3/b10-7+
InChI Key GLZPCOQZEFWAFX-JXMROGBWSA-N
Selectivity at ion channels
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Target Sp. Type Action Value Parameter Concentration range (M) Reference
TRPM8 Mm Activator Partial agonist 2.2 pEC50 - 1
pEC50 2.2 [1]
Voltage: Physiological