Octadeca-9,14-dien-12-ynoic acid

Details

• Internal ID: d5e1dc2c-2a7b-4ea9-82cd-1b4441c8207f
• Taxonomy: Lipids and lipid-like molecules > Fatty Acyls > Fatty acids and conjugates > Long-chain fatty acids
• IUPAC Name: octadeca-9,14-dien-12-ynoic acid
• InChI: InChI=1S/C18H28O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20/h4-5,9-10H,2-3,8,11-17H2,1H3,(H,19,20)
• InChI Key: HJYQCZVMQAYTMN-UHFFFAOYSA-N
• Popularity: 2 references in papers

Physical and Chemical Properties

• Molecular Formula: C₁₈H₂₈O₂
• Molecular Weight: 276.40 g/mol
• Exact Mass: 276.208930132 g/mol
• Topological Polar Surface Area (TPSA): 37.30 Ų
• XlogP: 5.90

Synonyms

There are no found synonyms.

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	97.34%	99.17%
CHEMBL221	P23219	Cyclooxygenase-1	95.41%	90.17%
CHEMBL3251	P19838	Nuclear factor NF-kappa-B p105 subunit	94.41%	96.09%
CHEMBL2581	P07339	Cathepsin D	93.85%	98.95%
CHEMBL1781	P11387	DNA topoisomerase I	92.24%	97.00%
CHEMBL230	P35354	Cyclooxygenase-2	87.88%	89.63%
CHEMBL4769	O95749	Geranylgeranyl pyrophosphate synthetase	87.20%	92.08%
CHEMBL5285	Q99683	Mitogen-activated protein kinase kinase kinase 5	85.21%	92.26%
CHEMBL4793	Q86TI2	Dipeptidyl peptidase IX	80.57%	96.95%
CHEMBL1075094	Q16236	Nuclear factor erythroid 2-related factor 2	80.55%	96.00%

Plants that contains it

There are no matching plants.

Cross-Links

• PubChem: 71437671
• LOTUS: LTS0190506
• wikiData: Q105029528