3-hydroxylauric acid   Click here for help

GtoPdb Ligand ID: 5850

Synonyms: 3-hydroxy lauric acid
Compound class: Metabolite
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2D Structure
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Physico-chemical Properties
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Hydrogen bond acceptors 3
Hydrogen bond donors 2
Rotatable bonds 10
Topological polar surface area 57.53
Molecular weight 216.17
XLogP 3.84
No. Lipinski's rules broken 0
SMILES / InChI / InChIKey
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Canonical SMILES CCCCCCCCCC(CC(=O)O)O
Isomeric SMILES CCCCCCCCCC(CC(=O)O)O
InChI InChI=1S/C12H24O3/c1-2-3-4-5-6-7-8-9-11(13)10-12(14)15/h11,13H,2-10H2,1H3,(H,14,15)
InChI Key MUCMKTPAZLSKTL-UHFFFAOYSA-N
Selectivity at GPCRs
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Target Sp. Type Action Value Parameter Concentration range (M) Reference
GPR84 Hs Agonist Full agonist 4.9 pEC50 - 1
pEC50 4.9 (EC50 1.3x10-5 M) [1]