[(E)-dec-8-en-4,6-diynyl] (Z)-2-methylbut-2-enoate

Details

• Internal ID: 09c2b0d8-4b04-4fc8-ae54-5ac9ac749e7f
• Taxonomy: Lipids and lipid-like molecules > Fatty Acyls > Fatty alcohol esters
• IUPAC Name: [(E)-dec-8-en-4,6-diynyl] (Z)-2-methylbut-2-enoate
• SMILES (Canonical): CC=CC#CC#CCCCOC(=O)C(=CC)C
• SMILES (Isomeric): C/C=C/C#CC#CCCCOC(=O)/C(=C\C)/C
• InChI: InChI=1S/C15H18O2/c1-4-6-7-8-9-10-11-12-13-17-15(16)14(3)5-2/h4-6H,11-13H2,1-3H3/b6-4+,14-5-
• InChI Key: WEROOKXFQNQCNL-UIAOORDVSA-N
• Popularity: 0 references in papers

Physical and Chemical Properties

• Molecular Formula: C₁₅H₁₈O₂
• Molecular Weight: 230.30 g/mol
• Exact Mass: 230.130679813 g/mol
• Topological Polar Surface Area (TPSA): 26.30 Ų
• XlogP: 3.80

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
CHEMBL3251	P19838	Nuclear factor NF-kappa-B p105 subunit	96.54%	96.09%
CHEMBL3060	Q9Y345	Glycine transporter 2	89.24%	99.17%
CHEMBL4203	Q9HAZ1	Dual specificity protein kinase CLK4	85.31%	94.45%
CHEMBL1293267	Q9HC97	G-protein coupled receptor 35	84.79%	89.34%
CHEMBL2581	P07339	Cathepsin D	84.52%	98.95%
CHEMBL1075094	Q16236	Nuclear factor erythroid 2-related factor 2	82.39%	96.00%
CHEMBL2885	P07451	Carbonic anhydrase III	80.16%	87.45%

Plants that contains it

• Cineraria geifolia

Cross-Links

• PubChem: 14104322
• LOTUS: LTS0223107
• wikiData: Q105303430