Tetradec-5-en-8,10,12-triynyl acetate

Details

• Internal ID: d36ab9e2-ba53-472b-82ae-1a41d9e1465b
• Taxonomy: Lipids and lipid-like molecules > Fatty Acyls > Fatty alcohol esters
• IUPAC Name: tetradec-5-en-8,10,12-triynyl acetate
• SMILES (Canonical): CC#CC#CC#CCC=CCCCCOC(=O)C
• SMILES (Isomeric): CC#CC#CC#CCC=CCCCCOC(=O)C
• InChI: InChI=1S/C16H18O2/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-18-16(2)17/h10-11H,9,12-15H2,1-2H3
• InChI Key: JBBWQVAJRJHVTE-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: 3.60

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
CHEMBL3060	Q9Y345	Glycine transporter 2	95.85%	99.17%
CHEMBL3251	P19838	Nuclear factor NF-kappa-B p105 subunit	94.89%	96.09%
CHEMBL2581	P07339	Cathepsin D	88.52%	98.95%
CHEMBL4203	Q9HAZ1	Dual specificity protein kinase CLK4	88.16%	94.45%
CHEMBL4657	Q6V1X1	Dipeptidyl peptidase VIII	87.53%	97.21%
CHEMBL239	Q07869	Peroxisome proliferator-activated receptor alpha	87.06%	90.75%
CHEMBL4793	Q86TI2	Dipeptidyl peptidase IX	82.48%	96.95%
CHEMBL2111367	P27986	PI3-kinase p110-alpha/p85-alpha	82.30%	94.33%
CHEMBL1293267	Q9HC97	G-protein coupled receptor 35	81.34%	89.34%
CHEMBL1075094	Q16236	Nuclear factor erythroid 2-related factor 2	80.95%	96.00%

Plants that contains it

• Leucanthemella serotina

Cross-Links

• PubChem: 162941733
• LOTUS: LTS0179426
• wikiData: Q105124222