eucalyptol   

GtoPdb Ligand ID: 2464

2D Structure
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Physico-chemical Properties
Hydrogen bond acceptors 1
Hydrogen bond donors 0
Rotatable bonds 0
Topological polar surface area 9.23
Molecular weight 154.14
XLogP 2.6
No. Lipinski's rules broken 0
SMILES / InChI / InChIKey
Canonical SMILES CC12CCC(CC1)C(O2)(C)C
Isomeric SMILES CC12CCC(CC1)C(O2)(C)C
InChI InChI=1S/C10H18O/c1-9(2)8-4-6-10(3,11-9)7-5-8/h8H,4-7H2,1-3H3
InChI Key WEEGYLXZBRQIMU-UHFFFAOYSA-N
References
1. Behrendt HJ, Germann T, Gillen C, Hatt H, Jostock R. (2004)
Characterization of the mouse cold-menthol receptor TRPM8 and vanilloid receptor type-1 VR1 using a fluorometric imaging plate reader (FLIPR) assay.
Br. J. Pharmacol., 141 (4): 737-45. [PMID:14757700]
2. McKemy DD, Neuhausser WM, Julius D. (2002)
Identification of a cold receptor reveals a general role for TRP channels in thermosensation.
Nature, 416 (6876): 52-8. [PMID:11882888]