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
References
1. Parnas M, Peters M, Dadon D, Lev S, Vertkin I, Slutsky I, Minke B. (2009)
Carvacrol is a novel inhibitor of Drosophila TRPL and mammalian TRPM7 channels.
Cell Calcium, 45 (3): 300-9. [PMID:19135721]
2. Xu H, Delling M, Jun JC, Clapham DE. (2006)
Oregano, thyme and clove-derived flavors and skin sensitizers activate specific TRP channels.
Nat Neurosci, 9 (5): 628-35. [PMID:16617338]