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+
Selectivity at ion channels
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Target Sp. Type Action Value Parameter Concentration range (M) Reference
TRPV3 Mm Activator Agonist - - 5x10-4 - 5x10-3 2
Conc range: 5x10-4 - 5x10-3 M [2]
Voltage: -80.0 – 80.0 mV
TRPA1 Mm Activator Agonist 4.2 pEC50 - 1
pEC50 4.2 (EC50 6.3x10-5 M) covalent [1]
Voltage: Physiological
Ligand mentioned in the following text fields