cis-6-Nonenyl Acetate

Details

• Internal ID: d82e6429-b825-4ab3-be39-73517d7caa7e
• Taxonomy: Lipids and lipid-like molecules > Fatty Acyls > Fatty alcohol esters
• IUPAC Name: [(Z)-non-6-enyl] acetate
• SMILES (Canonical): CCC=CCCCCCOC(=O)C
• SMILES (Isomeric): CC/C=C\CCCCCOC(=O)C
• InChI: InChI=1S/C11H20O2/c1-3-4-5-6-7-8-9-10-13-11(2)12/h4-5H,3,6-10H2,1-2H3/b5-4-
• InChI Key: DFRXMRZQBMFKMI-PLNGDYQASA-N
• Popularity: 3 references in papers

Physical and Chemical Properties

• Molecular Formula: C₁₁H₂₀O₂
• Molecular Weight: 184.27 g/mol
• Exact Mass: 184.146329876 g/mol
• Topological Polar Surface Area (TPSA): 26.30 Ų
• XlogP: 3.10

Synonyms

• cis-6-Nonenyl Acetate
• ACETIC ACID CIS-6-NONEN-1-YL ESTER
• [(Z)-non-6-enyl] acetate
• 6-Nonenyl acetate, (6Z)-
• 6-Nonen-1-ol, acetate, (Z)-
• 6-Nonen-1-ol, acetate, (6Z)-
• (Z)-6-Nonenyl acetate
• (Z)-Non-6-enyl acetate
• cis-6-Nonen-1-yl acetate
• UNII-F422N6Z0L0
• 6-Nonen-1-ol, 1-acetate, (6Z)-
• F422N6Z0L0
• EINECS 278-397-7
• (6Z)-6-Nonenyl acetate
• AI3-34802
• Acetic Acid cis-6-Nonenyl Ester
• (Z)-6-nonen-1-yl acetate
• (Z)-6 Nonen-1-yl acetate
• 6-Nonenyl acetate, AldrichCPR
• SCHEMBL3754151
• (Z)-Non-6-en-1-yl acetate
• FEMA NO. 4554
• (6Z)-non-6-en-1-yl acetate
• 6-NONENYL ACETATE, CIS-
• DFRXMRZQBMFKMI-PLNGDYQASA-N
• DTXSID701015297
• BDA23822
• MFCD00059409
• AKOS025295724
• A0921
• Q27277609

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	96.26%	99.17%
CHEMBL3251	P19838	Nuclear factor NF-kappa-B p105 subunit	94.85%	96.09%
CHEMBL239	Q07869	Peroxisome proliferator-activated receptor alpha	91.22%	90.75%
CHEMBL4793	Q86TI2	Dipeptidyl peptidase IX	89.65%	96.95%
CHEMBL3892	Q99500	Sphingosine 1-phosphate receptor Edg-3	87.91%	97.29%
CHEMBL2581	P07339	Cathepsin D	87.35%	98.95%
CHEMBL3975	P09467	Fructose-1,6-bisphosphatase	87.30%	92.95%
CHEMBL4657	Q6V1X1	Dipeptidyl peptidase VIII	86.14%	97.21%
CHEMBL4203	Q9HAZ1	Dual specificity protein kinase CLK4	81.63%	94.45%
CHEMBL2111367	P27986	PI3-kinase p110-alpha/p85-alpha	81.13%	94.33%
CHEMBL1293267	Q9HC97	G-protein coupled receptor 35	80.89%	89.34%

Plants that contains it

• Cucumis melo

Cross-Links

• PubChem: 5363389
• LOTUS: LTS0178089
• wikiData: Q27277609