Methyl 14,16-dibromohexadeca-7,13,15-trien-5-ynoate

Details

• Internal ID: d20cbea4-67a4-4db9-99ad-972001b6dc3d
• Taxonomy: Lipids and lipid-like molecules > Fatty Acyls > Fatty acid esters > Fatty acid methyl esters
• IUPAC Name: methyl 14,16-dibromohexadeca-7,13,15-trien-5-ynoate
• InChI: InChI=1S/C17H22Br2O2/c1-21-17(20)13-11-9-7-5-3-2-4-6-8-10-12-16(19)14-15-18/h2-3,12,14-15H,4,6,8-11,13H2,1H3
• InChI Key: UWBYQKWMZGTEIS-UHFFFAOYSA-N
• Popularity: 2 references in papers

Physical and Chemical Properties

• Molecular Formula: C₁₇H₂₂Br₂O₂
• Molecular Weight: 418.20 g/mol
• Exact Mass: 417.99661 g/mol
• Topological Polar Surface Area (TPSA): 26.30 Ų
• XlogP: 5.70

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
CHEMBL221	P23219	Cyclooxygenase-1	96.80%	90.17%
CHEMBL3060	Q9Y345	Glycine transporter 2	96.00%	99.17%
CHEMBL3251	P19838	Nuclear factor NF-kappa-B p105 subunit	93.64%	96.09%
CHEMBL5619	P27695	DNA-(apurinic or apyrimidinic site) lyase	92.34%	91.11%
CHEMBL2111367	P27986	PI3-kinase p110-alpha/p85-alpha	86.45%	94.33%
CHEMBL1075094	Q16236	Nuclear factor erythroid 2-related factor 2	86.25%	96.00%
CHEMBL2007	P16234	Platelet-derived growth factor receptor alpha	84.55%	91.07%
CHEMBL4685	P14902	Indoleamine 2,3-dioxygenase	84.27%	96.38%
CHEMBL2581	P07339	Cathepsin D	82.99%	98.95%
CHEMBL4203	Q9HAZ1	Dual specificity protein kinase CLK4	82.59%	94.45%
CHEMBL4793	Q86TI2	Dipeptidyl peptidase IX	81.35%	96.95%
CHEMBL256	P0DMS8	Adenosine A3 receptor	80.44%	95.93%

Plants that contains it

There are no matching plants.

Cross-Links

• PubChem: 327030
• LOTUS: LTS0107549
• wikiData: Q105280268