[(8E,10E,12E,14E)-heptadeca-8,10,12,14-tetraenyl] 3-methylbutanoate

Details

• Internal ID: 483f87c6-b226-4a1d-87ac-3451ae1e445e
• Taxonomy: Lipids and lipid-like molecules > Fatty Acyls > Fatty alcohol esters
• IUPAC Name: [(8E,10E,12E,14E)-heptadeca-8,10,12,14-tetraenyl] 3-methylbutanoate
• InChI: InChI=1S/C22H36O2/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-24-22(23)20-21(2)3/h5-12,21H,4,13-20H2,1-3H3/b6-5+,8-7+,10-9+,12-11+
• InChI Key: MDNVKZNPVLCVQP-AQPMYLLTSA-N
• Popularity: 0 references in papers

Physical and Chemical Properties

• Molecular Formula: C₂₂H₃₆O₂
• Molecular Weight: 332.50 g/mol
• Exact Mass: 332.271530387 g/mol
• Topological Polar Surface Area (TPSA): 26.30 Ų
• XlogP: 7.40

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
CHEMBL3251	P19838	Nuclear factor NF-kappa-B p105 subunit	96.07%	96.09%
CHEMBL3060	Q9Y345	Glycine transporter 2	95.71%	99.17%
CHEMBL3892	Q99500	Sphingosine 1-phosphate receptor Edg-3	95.05%	97.29%
CHEMBL3975	P09467	Fructose-1,6-bisphosphatase	89.76%	92.95%
CHEMBL2581	P07339	Cathepsin D	89.24%	98.95%
CHEMBL3130	O00329	PI3-kinase p110-delta subunit	89.03%	96.47%
CHEMBL2885	P07451	Carbonic anhydrase III	86.76%	87.45%
CHEMBL239	Q07869	Peroxisome proliferator-activated receptor alpha	86.33%	90.75%
CHEMBL202	P00374	Dihydrofolate reductase	86.22%	89.92%
CHEMBL1293267	Q9HC97	G-protein coupled receptor 35	85.92%	89.34%
CHEMBL1907591	P30926	Neuronal acetylcholine receptor; alpha4/beta4	85.79%	100.00%
CHEMBL4793	Q86TI2	Dipeptidyl peptidase IX	85.52%	96.95%
CHEMBL4657	Q6V1X1	Dipeptidyl peptidase VIII	84.98%	97.21%
CHEMBL1075094	Q16236	Nuclear factor erythroid 2-related factor 2	84.39%	96.00%
CHEMBL4203	Q9HAZ1	Dual specificity protein kinase CLK4	84.04%	94.45%
CHEMBL221	P23219	Cyclooxygenase-1	82.69%	90.17%
CHEMBL3359	P21462	Formyl peptide receptor 1	82.27%	93.56%
CHEMBL5619	P27695	DNA-(apurinic or apyrimidinic site) lyase	80.56%	91.11%
CHEMBL2111367	P27986	PI3-kinase p110-alpha/p85-alpha	80.19%	94.33%

Plants that contains it

• Centaurea scabiosa

Cross-Links

• PubChem: 15081435
• LOTUS: LTS0121525
• wikiData: Q105161853