Methyl 12-acetyloxydodeca-5,8,10-trienoate

Details

• Internal ID: 39617f6e-152b-4cad-89e0-cce46ef1aafa
• Taxonomy: Lipids and lipid-like molecules > Fatty Acyls > Fatty alcohol esters
• IUPAC Name: methyl 12-acetyloxydodeca-5,8,10-trienoate
• SMILES (Canonical): CC(=O)OCC=CC=CCC=CCCCC(=O)OC
• SMILES (Isomeric): CC(=O)OCC=CC=CCC=CCCCC(=O)OC
• InChI: InChI=1S/C15H22O4/c1-14(16)19-13-11-9-7-5-3-4-6-8-10-12-15(17)18-2/h4-7,9,11H,3,8,10,12-13H2,1-2H3
• InChI Key: DSVPGFNPLBCDKT-UHFFFAOYSA-N
• Popularity: 1 reference in papers

Physical and Chemical Properties

• Molecular Formula: C₁₅H₂₂O₄
• Molecular Weight: 266.33 g/mol
• Exact Mass: 266.15180918 g/mol
• Topological Polar Surface Area (TPSA): 52.60 Ų
• XlogP: 2.70

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
CHEMBL3251	P19838	Nuclear factor NF-kappa-B p105 subunit	95.84%	96.09%
CHEMBL3060	Q9Y345	Glycine transporter 2	95.23%	99.17%
CHEMBL5619	P27695	DNA-(apurinic or apyrimidinic site) lyase	90.71%	91.11%
CHEMBL239	Q07869	Peroxisome proliferator-activated receptor alpha	87.04%	90.75%
CHEMBL1075094	Q16236	Nuclear factor erythroid 2-related factor 2	86.59%	96.00%
CHEMBL2111367	P27986	PI3-kinase p110-alpha/p85-alpha	86.32%	94.33%
CHEMBL2581	P07339	Cathepsin D	83.51%	98.95%
CHEMBL4657	Q6V1X1	Dipeptidyl peptidase VIII	82.90%	97.21%
CHEMBL1293249	Q13887	Kruppel-like factor 5	82.33%	86.33%
CHEMBL4793	Q86TI2	Dipeptidyl peptidase IX	82.02%	96.95%
CHEMBL3401	O75469	Pregnane X receptor	81.64%	94.73%

Plants that contains it

There are no matching plants.

Cross-Links

• PubChem: 73721010
• LOTUS: LTS0182419
• wikiData: Q104988059