2-hydroxylauric acid   Click here for help

GtoPdb Ligand ID: 5849

Synonyms: 2-hydroxy lauric acid | 2-OH-C12
Compound class: Metabolite
Click here for help
2D Structure
Click here for help
Click here for structure editor
Physico-chemical Properties
Click here for help
Hydrogen bond acceptors 3
Hydrogen bond donors 2
Rotatable bonds 10
Topological polar surface area 57.53
Molecular weight 216.17
XLogP 4.32
No. Lipinski's rules broken 0
SMILES / InChI / InChIKey
Click here for help
Canonical SMILES CCCCCCCCCCC(C(=O)O)O
Isomeric SMILES CCCCCCCCCCC(C(=O)O)O
InChI InChI=1S/C12H24O3/c1-2-3-4-5-6-7-8-9-10-11(13)12(14)15/h11,13H,2-10H2,1H3,(H,14,15)
InChI Key YDZIJQXINJLRLL-UHFFFAOYSA-N
Selectivity at GPCRs
Key to terms and symbols Click column headers to sort
Target Sp. Type Action Value Parameter Concentration range (M) Reference
GPR84 Hs Agonist Full agonist 5.0 pEC50 - 1
pEC50 5.0 (EC50 9.9x10-6 M) [1]