Dimethyl 2-decenedioate

Details

• Internal ID: f440e9dc-fc3b-40c1-8aa4-a36e039fe712
• Taxonomy: Lipids and lipid-like molecules > Fatty Acyls > Fatty acid esters > Fatty acid methyl esters
• IUPAC Name: dimethyl (E)-dec-2-enedioate
• InChI: InChI=1S/C12H20O4/c1-15-11(13)9-7-5-3-4-6-8-10-12(14)16-2/h7,9H,3-6,8,10H2,1-2H3/b9-7+
• InChI Key: WPHNPMDKEMPBAL-VQHVLOKHSA-N
• Popularity: 2 references in papers

Physical and Chemical Properties

• Molecular Formula: C₁₂H₂₀O₄
• Molecular Weight: 228.28 g/mol
• Exact Mass: 228.13615911 g/mol
• Topological Polar Surface Area (TPSA): 52.60 Ų
• XlogP: 2.60

Synonyms

• WPHNPMDKEMPBAL-VQHVLOKHSA-N
• 2-Decenedioic acid, dimethyl ester
• 1,10-dimethyl ester-2-decenedioic acid

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	96.49%	99.17%
CHEMBL3251	P19838	Nuclear factor NF-kappa-B p105 subunit	94.57%	96.09%
CHEMBL5619	P27695	DNA-(apurinic or apyrimidinic site) lyase	92.05%	91.11%
CHEMBL2111367	P27986	PI3-kinase p110-alpha/p85-alpha	86.65%	94.33%
CHEMBL1075094	Q16236	Nuclear factor erythroid 2-related factor 2	84.50%	96.00%
CHEMBL1293267	Q9HC97	G-protein coupled receptor 35	84.35%	89.34%
CHEMBL3267	P48736	PI3-kinase p110-gamma subunit	82.86%	95.71%
CHEMBL2581	P07339	Cathepsin D	82.59%	98.95%
CHEMBL4793	Q86TI2	Dipeptidyl peptidase IX	82.05%	96.95%
CHEMBL4374	Q9Y5X4	Photoreceptor-specific nuclear receptor	81.05%	85.00%

Plants that contains it

There are no matching plants.

Cross-Links

• PubChem: 5463644
• LOTUS: LTS0082916
• wikiData: Q105309917