2-Decene-4,6,8-triyn-1-ol, acetate, (E)-

Details

• Internal ID: 6b5ec6c2-d424-44ed-b867-5d1e79412e42
• Taxonomy: Lipids and lipid-like molecules > Fatty Acyls > Fatty alcohol esters
• IUPAC Name: [(E)-dec-2-en-4,6,8-triynyl] acetate
• SMILES (Canonical): CC#CC#CC#CC=CCOC(=O)C
• SMILES (Isomeric): CC#CC#CC#C/C=C/COC(=O)C
• InChI: InChI=1S/C12H10O2/c1-3-4-5-6-7-8-9-10-11-14-12(2)13/h9-10H,11H2,1-2H3/b10-9+
• InChI Key: GXUIUUBXOVYQEP-MDZDMXLPSA-N
• Popularity: 0 references in papers

Physical and Chemical Properties

• Molecular Formula: C₁₂H₁₀O₂
• Molecular Weight: 186.21 g/mol
• Exact Mass: 186.068079557 g/mol
• Topological Polar Surface Area (TPSA): 26.30 Ų
• XlogP: 2.20

Synonyms

• 2-Decene-4,6,8-triyn-1-ol, acetate, (E)-
• (E)-2-Decene-4,6,8-triyn-1-ol acetate

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	94.62%	96.09%
CHEMBL3060	Q9Y345	Glycine transporter 2	85.18%	99.17%
CHEMBL1293249	Q13887	Kruppel-like factor 5	81.75%	86.33%

Plants that contains it

• Osmitopsis osmitoides
• Ursinia anthemoides

Cross-Links

• PubChem: 6442396
• LOTUS: LTS0213278
• wikiData: Q105023407