benzoquinone   Click here for help

GtoPdb Ligand ID: 6307

Abbreviated name: p-BQ
Synonyms: p-benzoquinone
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 2
Hydrogen bond donors 0
Rotatable bonds 0
Topological polar surface area 34.14
Molecular weight 108.02
XLogP -0.23
No. Lipinski's rules broken 0
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Canonical SMILES O=C1C=CC(=O)C=C1
Isomeric SMILES O=C1C=CC(=O)C=C1
InChI InChI=1S/C6H4O2/c7-5-1-2-6(8)4-3-5/h1-4H
Selectivity at ion channels
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Target Sp. Type Action Value Parameter Concentration range (M) Reference
TRPA1 Hs Activator Activation 6.4 pEC50 - 1
pEC50 6.4 [1]
Description: Calcium imaging
Conditions: CHO cells expressing TRPA1 loaded with Fura-2