Icos-13-enoic Acid

Details

• Internal ID: aa16fb22-d211-4737-925c-93395f6217bf
• Taxonomy: Lipids and lipid-like molecules > Fatty Acyls > Fatty acids and conjugates > Long-chain fatty acids
• IUPAC Name: icos-13-enoic acid
• InChI: InChI=1S/C20H38O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20(21)22/h7-8H,2-6,9-19H2,1H3,(H,21,22)
• InChI Key: URXZXNYJPAJJOQ-UHFFFAOYSA-N
• Popularity: 6 references in papers

Physical and Chemical Properties

• Molecular Formula: C₂₀H₃₈O₂
• Molecular Weight: 310.50 g/mol
• Exact Mass: 310.287180451 g/mol
• Topological Polar Surface Area (TPSA): 37.30 Ų
• XlogP: 7.60

Synonyms

• 13-Eicosenoic acid
• 13-eicosaenoic acid

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
CHEMBL239	Q07869	Peroxisome proliferator-activated receptor alpha	600 nM	IC50	via Super-PRED
CHEMBL2219	P35236	Protein-tyrosine phosphatase LC-PTP	801 nM	IC50	via Super-PRED

Predicted Targets (via Super-PRED):

CHEMBL ID	UniProt ID	Name	Probability	Model accuracy
CHEMBL3060	Q9Y345	Glycine transporter 2	97.97%	99.17%
CHEMBL2581	P07339	Cathepsin D	95.56%	98.95%
CHEMBL4769	O95749	Geranylgeranyl pyrophosphate synthetase	95.16%	92.08%
CHEMBL230	P35354	Cyclooxygenase-2	94.14%	89.63%
CHEMBL1781	P11387	DNA topoisomerase I	93.36%	97.00%
CHEMBL3251	P19838	Nuclear factor NF-kappa-B p105 subunit	92.93%	96.09%
CHEMBL221	P23219	Cyclooxygenase-1	87.65%	90.17%
CHEMBL4793	Q86TI2	Dipeptidyl peptidase IX	85.24%	96.95%
CHEMBL2265	P23141	Acyl coenzyme A:cholesterol acyltransferase	84.84%	85.94%
CHEMBL3892	Q99500	Sphingosine 1-phosphate receptor Edg-3	83.86%	97.29%
CHEMBL2001	Q9H244	Purinergic receptor P2Y12	83.06%	96.00%
CHEMBL3359	P21462	Formyl peptide receptor 1	82.12%	93.56%

Plants that contains it

There are no matching plants.

Cross-Links

• PubChem: 4379731
• LOTUS: LTS0236323
• wikiData: Q104198810