Hexadeca-8,14-dien-10,12-diynyl acetate

Details

• Internal ID: df164180-46f3-4058-b5d0-474b1514af9c
• Taxonomy: Lipids and lipid-like molecules > Fatty Acyls > Fatty alcohol esters
• IUPAC Name: hexadeca-8,14-dien-10,12-diynyl acetate
• SMILES (Canonical): CC=CC#CC#CC=CCCCCCCCOC(=O)C
• SMILES (Isomeric): CC=CC#CC#CC=CCCCCCCCOC(=O)C
• InChI: InChI=1S/C18H24O2/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-20-18(2)19/h3-4,9-10H,11-17H2,1-2H3
• InChI Key: QZBAAXBPFQCZSA-UHFFFAOYSA-N
• Popularity: 0 references in papers

Physical and Chemical Properties

• Molecular Formula: C₁₈H₂₄O₂
• Molecular Weight: 272.40 g/mol
• Exact Mass: 272.177630004 g/mol
• Topological Polar Surface Area (TPSA): 26.30 Ų
• XlogP: 5.20

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	95.03%	99.17%
CHEMBL3251	P19838	Nuclear factor NF-kappa-B p105 subunit	94.70%	96.09%
CHEMBL4793	Q86TI2	Dipeptidyl peptidase IX	86.01%	96.95%
CHEMBL4657	Q6V1X1	Dipeptidyl peptidase VIII	85.91%	97.21%
CHEMBL3975	P09467	Fructose-1,6-bisphosphatase	84.26%	92.95%
CHEMBL2581	P07339	Cathepsin D	83.31%	98.95%
CHEMBL1075094	Q16236	Nuclear factor erythroid 2-related factor 2	82.75%	96.00%
CHEMBL5619	P27695	DNA-(apurinic or apyrimidinic site) lyase	82.59%	91.11%
CHEMBL4203	Q9HAZ1	Dual specificity protein kinase CLK4	81.70%	94.45%
CHEMBL1293267	Q9HC97	G-protein coupled receptor 35	81.43%	89.34%

Plants that contains it

• Pleiotaxis rugosa

Cross-Links

• PubChem: 162967474
• LOTUS: LTS0217089
• wikiData: Q105231542