Methyl octadeca-9,12,17-trienoate

Details

• Internal ID: 1d33a2e3-6883-43a7-811e-d49c6506beeb
• Taxonomy: Lipids and lipid-like molecules > Fatty Acyls > Lineolic acids and derivatives
• IUPAC Name: methyl octadeca-9,12,17-trienoate
• InChI: InChI=1S/C19H32O2/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19(20)21-2/h3,7-8,10-11H,1,4-6,9,12-18H2,2H3
• InChI Key: HBSINXLKYLEHNF-UHFFFAOYSA-N
• Popularity: 2 references in papers

Physical and Chemical Properties

• Molecular Formula: C₁₉H₃₂O₂
• Molecular Weight: 292.50 g/mol
• Exact Mass: 292.240230259 g/mol
• Topological Polar Surface Area (TPSA): 26.30 Ų
• XlogP: 6.40

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	97.49%	99.17%
CHEMBL3251	P19838	Nuclear factor NF-kappa-B p105 subunit	95.10%	96.09%
CHEMBL5619	P27695	DNA-(apurinic or apyrimidinic site) lyase	95.06%	91.11%
CHEMBL2581	P07339	Cathepsin D	88.97%	98.95%
CHEMBL2111367	P27986	PI3-kinase p110-alpha/p85-alpha	86.96%	94.33%
CHEMBL1075094	Q16236	Nuclear factor erythroid 2-related factor 2	82.86%	96.00%
CHEMBL4793	Q86TI2	Dipeptidyl peptidase IX	81.89%	96.95%
CHEMBL1293267	Q9HC97	G-protein coupled receptor 35	80.58%	89.34%
CHEMBL2007	P16234	Platelet-derived growth factor receptor alpha	80.10%	91.07%

Plants that contains it

There are no matching plants.

Cross-Links

• PubChem: 139802317
• LOTUS: LTS0041076
• wikiData: Q105025459