10,12-Hexadecadienyl acetate

Details

• Internal ID: ece75511-30d2-4639-8d4f-c59152daebea
• Taxonomy: Lipids and lipid-like molecules > Fatty Acyls > Fatty alcohol esters
• IUPAC Name: hexadeca-10,12-dienyl acetate
• SMILES (Canonical): CCCC=CC=CCCCCCCCCCOC(=O)C
• SMILES (Isomeric): CCCC=CC=CCCCCCCCCCOC(=O)C
• InChI: InChI=1S/C18H32O2/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-20-18(2)19/h5-8H,3-4,9-17H2,1-2H3
• InChI Key: CMCBHGAXGCXMIP-UHFFFAOYSA-N
• Popularity: 5 references in papers

Physical and Chemical Properties

• Molecular Formula: C₁₈H₃₂O₂
• Molecular Weight: 280.40 g/mol
• Exact Mass: 280.240230259 g/mol
• Topological Polar Surface Area (TPSA): 26.30 Ų
• XlogP: 6.50

Synonyms

• hexadeca-10,12-dienyl acetate
• Bombykyl acetate
• RefChem:77383
• SCHEMBL1301935

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	95.68%	99.17%
CHEMBL3251	P19838	Nuclear factor NF-kappa-B p105 subunit	94.22%	96.09%
CHEMBL4793	Q86TI2	Dipeptidyl peptidase IX	91.45%	96.95%
CHEMBL4657	Q6V1X1	Dipeptidyl peptidase VIII	89.40%	97.21%
CHEMBL2581	P07339	Cathepsin D	88.23%	98.95%
CHEMBL3892	Q99500	Sphingosine 1-phosphate receptor Edg-3	87.47%	97.29%
CHEMBL1293267	Q9HC97	G-protein coupled receptor 35	83.34%	89.34%
CHEMBL2001	Q9H244	Purinergic receptor P2Y12	82.66%	96.00%
CHEMBL239	Q07869	Peroxisome proliferator-activated receptor alpha	82.06%	90.75%
CHEMBL2111367	P27986	PI3-kinase p110-alpha/p85-alpha	81.04%	94.33%
CHEMBL4203	Q9HAZ1	Dual specificity protein kinase CLK4	80.90%	94.45%
CHEMBL4769	O95749	Geranylgeranyl pyrophosphate synthetase	80.40%	92.08%

Plants that contains it

There are no matching plants.

Cross-Links

• PubChem: 537532
• LOTUS: LTS0055555
• wikiData: Q104964314