Eicosa-5,11,14-trienoic acid

Details

• Internal ID: e7de7185-1b31-475e-b605-d9ffc959e0b8
• Taxonomy: Lipids and lipid-like molecules > Fatty Acyls > Fatty acids and conjugates > Long-chain fatty acids
• IUPAC Name: icosa-5,11,14-trienoic acid
• SMILES (Canonical): CCCCCC=CCC=CCCCCC=CCCCC(=O)O
• SMILES (Isomeric): CCCCCC=CCC=CCCCCC=CCCCC(=O)O
• InChI: InChI=1S/C20H34O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20(21)22/h6-7,9-10,15-16H,2-5,8,11-14,17-19H2,1H3,(H,21,22)
• InChI Key: PRHHYVQTPBEDFE-UHFFFAOYSA-N
• Popularity: 47 references in papers

Physical and Chemical Properties

• Molecular Formula: C₂₀H₃₄O₂
• Molecular Weight: 306.50 g/mol
• Exact Mass: 306.255880323 g/mol
• Topological Polar Surface Area (TPSA): 37.30 Ų
• XlogP: 6.70

Synonyms

• Icosa-5,11,14-trienoic acid
• PD049017

2D Structure

ADMET Properties (via admetSAR 2)

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

Targets

Proven Targets:

CHEMBL ID	UniProt ID	Name	Min activity	Assay type	Source
CHEMBL2903	P16050	Arachidonate 15-lipoxygenase	79.4 nM	Potency	via Super-PRED

Predicted Targets (via Super-PRED):

CHEMBL ID	UniProt ID	Name	Probability	Model accuracy
CHEMBL3060	Q9Y345	Glycine transporter 2	96.94%	99.17%
CHEMBL2581	P07339	Cathepsin D	96.77%	98.95%
CHEMBL1781	P11387	DNA topoisomerase I	93.41%	97.00%
CHEMBL3251	P19838	Nuclear factor NF-kappa-B p105 subunit	92.44%	96.09%
CHEMBL230	P35354	Cyclooxygenase-2	92.05%	89.63%
CHEMBL4769	O95749	Geranylgeranyl pyrophosphate synthetase	91.97%	92.08%
CHEMBL221	P23219	Cyclooxygenase-1	91.59%	90.17%
CHEMBL4793	Q86TI2	Dipeptidyl peptidase IX	82.87%	96.95%
CHEMBL3359	P21462	Formyl peptide receptor 1	82.54%	93.56%
CHEMBL2265	P23141	Acyl coenzyme A:cholesterol acyltransferase	80.44%	85.94%

Plants that contains it

• Nageia nagi

Cross-Links

• PubChem: 152108
• LOTUS: LTS0035098
• wikiData: Q105213707