OLEIC ACID

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Synonyms
Status
Molecule Category Free-form
UNII 2UMI9U37CP
EPA CompTox DTXSID1025809

Structure

InChI Key ZQPPMHVWECSIRJ-KTKRTIGZSA-N
Smiles CCCCCCCC/C=C\CCCCCCCC(=O)O
InChI
InChI=1S/C18H34O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20/h9-10H,2-8,11-17H2,1H3,(H,19,20)/b10-9-

Physicochemical Descriptors

Property Name Value
Molecular Formula C18H34O2
Molecular Weight 282.47
AlogP 6.11
Hydrogen Bond Acceptor 1.0
Hydrogen Bond Donor 1.0
Number of Rotational Bond 15.0
Polar Surface Area 37.3
Molecular species ACID
Aromatic Rings 0.0
Heavy Atoms 20.0

Pharmacology

Targets EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Auxiliary transport protein Fatty acid binding protein family
- - 200-900 180-248 66.8-82.1
Transcription factor Nuclear receptor Nuclear hormone receptor subfamily 1 Nuclear hormone receptor subfamily 1 group C Nuclear hormone receptor subfamily 1 group C member 1
- 600-600 - - -
EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Bacillus subtilis
- - - - 30.2
Homo sapiens
- 600-600 - - 48.8-82.1
Rattus norvegicus
- - - 180 0-0
Streptococcus mutans
- - - - 42.4

Related Entries

Cross References

Resources Reference
ChEBI 16196
ChEMBL CHEMBL8659
DrugCentral 3400
FDA SRS 2UMI9U37CP
Human Metabolome Database HMDB0000573
Guide to Pharmacology 1054
KEGG C00712
PDB OLA
PubChem 445639
SureChEMBL SCHEMBL1138
ZINC ZINC000006845860
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