18-bromo-17Z-octadecen-5,7,15-triynoic acid

Details

• Internal ID: c7d496e3-52e3-4add-b603-e5e226d5bad5
• Taxonomy: Lipids and lipid-like molecules > Fatty Acyls > Fatty acids and conjugates > Long-chain fatty acids
• IUPAC Name: (Z)-18-bromooctadec-17-en-5,7,15-triynoic acid
• InChI: InChI=1S/C18H21BrO2/c19-17-15-13-11-9-7-5-3-1-2-4-6-8-10-12-14-16-18(20)21/h15,17H,1-3,5,7,9,12,14,16H2,(H,20,21)/b17-15-
• InChI Key: OXVNISBZKQCMOO-ICFOKQHNSA-N
• Popularity: 0 references in papers

Physical and Chemical Properties

• Molecular Formula: C₁₈H₂₁BrO₂
• Molecular Weight: 349.30 g/mol
• Exact Mass: 348.07249 g/mol
• Topological Polar Surface Area (TPSA): 37.30 Ų
• XlogP: 5.50

Synonyms

• LMFA01090122

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	93.96%	90.17%
CHEMBL3251	P19838	Nuclear factor NF-kappa-B p105 subunit	92.96%	96.09%
CHEMBL3060	Q9Y345	Glycine transporter 2	91.64%	99.17%
CHEMBL2581	P07339	Cathepsin D	86.09%	98.95%
CHEMBL5619	P27695	DNA-(apurinic or apyrimidinic site) lyase	86.09%	91.11%
CHEMBL4685	P14902	Indoleamine 2,3-dioxygenase	83.78%	96.38%
CHEMBL1781	P11387	DNA topoisomerase I	81.82%	97.00%
CHEMBL5285	Q99683	Mitogen-activated protein kinase kinase kinase 5	81.54%	92.26%
CHEMBL1075094	Q16236	Nuclear factor erythroid 2-related factor 2	80.94%	96.00%

Plants that contains it

There are no matching plants.

Cross-Links

• PubChem: 6474059
• LOTUS: LTS0132427
• wikiData: Q105202960