18-Hydroxylinoleic acid

Details

• Internal ID: e30b658d-92ec-48e2-80c5-45dd8a94de57
• Taxonomy: Lipids and lipid-like molecules > Fatty Acyls > Lineolic acids and derivatives
• IUPAC Name: (9Z,12Z)-18-hydroxyoctadeca-9,12-dienoic acid
• SMILES (Canonical): C(CCCC=CCC=CCCCCCO)CCCC(=O)O
• SMILES (Isomeric): C(CCC/C=C\C/C=C\CCCCCO)CCCC(=O)O
• InChI: InChI=1S/C18H32O3/c19-17-15-13-11-9-7-5-3-1-2-4-6-8-10-12-14-16-18(20)21/h1-2,5,7,19H,3-4,6,8-17H2,(H,20,21)/b2-1-,7-5-
• InChI Key: KPBOLLJJMHIJPH-PQZOIKATSA-N
• Popularity: 64 references in papers

Physical and Chemical Properties

• Molecular Formula: C₁₈H₃₂O₃
• Molecular Weight: 296.40 g/mol
• Exact Mass: 296.23514488 g/mol
• Topological Polar Surface Area (TPSA): 57.50 Ų
• XlogP: 5.00

Synonyms

• omega-hydroxylinoleic acid
• 18-HODE
• SCHEMBL1948036
• CHEBI:132472
• 18-hydroxy-(9Z,12Z)-octadecadienoic acid
• (9Z,12Z)-18-hydroxyoctadeca-9,12-dienoic acid

2D Structure

ADMET Properties (via admetSAR 2)

Target	Value	Probability (raw)	Probability (%)
No predicted properties yet!

Targets

Proven Targets:

No proven targets yet!

Predicted Targets (via Super-PRED):

CHEMBL ID	UniProt ID	Name	Probability	Model accuracy
CHEMBL3060	Q9Y345	Glycine transporter 2	96.92%	99.17%
CHEMBL3251	P19838	Nuclear factor NF-kappa-B p105 subunit	91.84%	96.09%
CHEMBL1781	P11387	DNA topoisomerase I	91.05%	97.00%
CHEMBL2581	P07339	Cathepsin D	88.68%	98.95%
CHEMBL5619	P27695	DNA-(apurinic or apyrimidinic site) lyase	84.58%	91.11%

Plants that contains it

• Arabidopsis thaliana

Cross-Links

• PubChem: 87314906
• LOTUS: LTS0161120
• wikiData: Q76802962