cinnamaldehyde   Click here for help

GtoPdb Ligand ID: 2423

Synonyms: cinnamic aldehyde
PDB Ligand
Compound class: Synthetic organic
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2D Structure
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Physico-chemical Properties
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Hydrogen bond acceptors 1
Hydrogen bond donors 0
Rotatable bonds 2
Topological polar surface area 17.07
Molecular weight 132.06
XLogP 1.99
No. Lipinski's rules broken 0
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Canonical SMILES O=CC=Cc1ccccc1
Isomeric SMILES O=C/C=C/c1ccccc1
InChI InChI=1S/C9H8O/c10-8-4-7-9-5-2-1-3-6-9/h1-8H/b7-4+
1. Bandell M, Story GM, Hwang SW, Viswanath V, Eid SR, Petrus MJ, Earley TJ, Patapoutian A. (2004)
Noxious cold ion channel TRPA1 is activated by pungent compounds and bradykinin.
Neuron, 41 (6): 849-57. [PMID:15046718]
2. Macpherson LJ, Hwang SW, Miyamoto T, Dubin AE, Patapoutian A, Story GM. (2006)
More than cool: promiscuous relationships of menthol and other sensory compounds.
Mol Cell Neurosci, 32 (4): 335-43. [PMID:16829128]