Tetradeca-4,6,12-trien-8,10-diynyl acetate

Details

• Internal ID: 599292f2-ccc7-4239-aed6-13494b060347
• Taxonomy: Lipids and lipid-like molecules > Fatty Acyls > Fatty alcohol esters
• IUPAC Name: tetradeca-4,6,12-trien-8,10-diynyl acetate
• SMILES (Canonical): CC=CC#CC#CC=CC=CCCCOC(=O)C
• SMILES (Isomeric): CC=CC#CC#CC=CC=CCCCOC(=O)C
• InChI: InChI=1S/C16H18O2/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-18-16(2)17/h3-4,9-12H,13-15H2,1-2H3
• InChI Key: BSPUEFFDQHCPTB-UHFFFAOYSA-N
• Popularity: 0 references in papers

Physical and Chemical Properties

• Molecular Formula: C₁₆H₁₈O₂
• Molecular Weight: 242.31 g/mol
• Exact Mass: 242.130679813 g/mol
• Topological Polar Surface Area (TPSA): 26.30 Ų
• XlogP: 3.90

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	93.77%	96.09%
CHEMBL3060	Q9Y345	Glycine transporter 2	92.29%	99.17%
CHEMBL4657	Q6V1X1	Dipeptidyl peptidase VIII	85.99%	97.21%
CHEMBL4793	Q86TI2	Dipeptidyl peptidase IX	85.10%	96.95%
CHEMBL4203	Q9HAZ1	Dual specificity protein kinase CLK4	84.22%	94.45%
CHEMBL1075094	Q16236	Nuclear factor erythroid 2-related factor 2	82.42%	96.00%
CHEMBL2581	P07339	Cathepsin D	80.94%	98.95%

Plants that contains it

• Centaurea diluta
• Centaurea nervosa
• Coreopsis gigantea
• Dahlia merckii
• Dahlia scapigera
• Dahlia sherffii

Cross-Links

• PubChem: 53699058
• LOTUS: LTS0150355
• wikiData: Q104945363