5,6-epoxyeicosatrienoic acid   

GtoPdb Ligand ID: 6304

Abbreviated name: 5,6-EET
Synonyms: (±)5,6-EpETrE | (±)5,6-epoxy-8Z,11Z,14Z-eicosatrienoic acid
2D Structure
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Physico-chemical Properties
Hydrogen bond acceptors 3
Hydrogen bond donors 1
Rotatable bonds 14
Topological polar surface area 49.83
Molecular weight 320.24
XLogP 6.58
No. Lipinski's rules broken 2
SMILES / InChI / InChIKey
Canonical SMILES CCCCCC=CCC=CCC=CCC1OC1CCCC(=O)O
Isomeric SMILES CCCCC/C=C\C/C=C\C/C=C\CC1OC1CCCC(=O)O
InChI InChI=1S/C20H32O3/c1-2-3-4-5-6-7-8-9-10-11-12-13-15-18-19(23-18)16-14-17-20(21)22/h6-7,9-10,12-13,18-19H,2-5,8,11,14-17H2,1H3,(H,21,22)/b7-6-,10-9-,13-12-
InChI Key VBQNSZQZRAGRIX-QNEBEIHSSA-N
Selectivity at ion channels
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Target Sp. Type Action Value Parameter Concentration range (M) Reference
TRPV4 Mm Activator Agonist 6.9 pEC50 - 1
pEC50 6.9 [1]
Voltage: -60.0 mV
Ligand mentioned in the following text fields