crotylaldehyde   Click here for help

GtoPdb Ligand ID: 6288

Synonyms: 2-butenal | crotonal | trans-crotonaldehyde
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 1
Topological polar surface area 17.07
Molecular weight 70.04
XLogP 0.82
No. Lipinski's rules broken 0
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Canonical SMILES CC=CC=O
Isomeric SMILES C/C=C/C=O
InChI InChI=1S/C4H6O/c1-2-3-4-5/h2-4H,1H3/b3-2+
Selectivity at ion channels
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Target Sp. Type Action Value Parameter Concentration range (M) Reference
TRPA1 Rn Activator Activation 4.6 pEC50 - 1
pEC50 4.6 [1]
Description: Calcium imaging
Conditions: HEK293 cells expressing rat TRPA1 loaded with Fura-2
Ligand mentioned in the following text fields