(4-methyl-5-oxo-2H-furan-2-yl) undecanoate

Details

• Internal ID: 605cf3f3-69b7-40f5-8c33-424c3891110b
• Taxonomy: Lipids and lipid-like molecules > Fatty Acyls > Fatty acid esters
• IUPAC Name: (4-methyl-5-oxo-2H-furan-2-yl) undecanoate
• InChI: InChI=1S/C16H26O4/c1-3-4-5-6-7-8-9-10-11-14(17)19-15-12-13(2)16(18)20-15/h12,15H,3-11H2,1-2H3
• InChI Key: OQHUJYJYEVSCMX-UHFFFAOYSA-N
• Popularity: 1 reference in papers

Physical and Chemical Properties

• Molecular Formula: C₁₆H₂₆O₄
• Molecular Weight: 282.37 g/mol
• Exact Mass: 282.18310931 g/mol
• Topological Polar Surface Area (TPSA): 52.60 Ų
• XlogP: 5.20

Synonyms

• (4-methyl-5-oxo-2H-furan-2-yl) undecanoate
• SCHEMBL14945635
• Undecanoic acid, 2,5-dihydro-4-methyl-5-oxo-2-furanyl ester

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
CHEMBL230	P35354	Cyclooxygenase-2	97.86%	89.63%
CHEMBL3060	Q9Y345	Glycine transporter 2	95.78%	99.17%
CHEMBL2581	P07339	Cathepsin D	94.41%	98.95%
CHEMBL3251	P19838	Nuclear factor NF-kappa-B p105 subunit	92.43%	96.09%
CHEMBL3401	O75469	Pregnane X receptor	88.62%	94.73%
CHEMBL3038477	P67870	Casein kinase II alpha/beta	88.16%	99.23%
CHEMBL3108638	O15164	Transcription intermediary factor 1-alpha	87.51%	95.56%
CHEMBL2265	P23141	Acyl coenzyme A:cholesterol acyltransferase	87.36%	85.94%
CHEMBL5619	P27695	DNA-(apurinic or apyrimidinic site) lyase	87.10%	91.11%
CHEMBL1293249	Q13887	Kruppel-like factor 5	86.74%	86.33%
CHEMBL5255	O00206	Toll-like receptor 4	85.54%	92.50%
CHEMBL2996	Q05655	Protein kinase C delta	85.49%	97.79%
CHEMBL4769	O95749	Geranylgeranyl pyrophosphate synthetase	83.05%	92.08%
CHEMBL3359	P21462	Formyl peptide receptor 1	81.89%	93.56%

Plants that contains it

• Litsea verticillata

Cross-Links

• PubChem: 5279299
• LOTUS: LTS0060550
• wikiData: Q105196827