1-Hydroxytetradeca-6,12-dien-8,10-diyn-3-one

Details

• Internal ID: 9c8cba11-a19e-4a8c-b9d4-41720d41a45f
• Taxonomy: Lipids and lipid-like molecules > Fatty Acyls > Fatty alcohols > Long-chain fatty alcohols
• IUPAC Name: 1-hydroxytetradeca-6,12-dien-8,10-diyn-3-one
• SMILES (Canonical): CC=CC#CC#CC=CCCC(=O)CCO
• SMILES (Isomeric): CC=CC#CC#CC=CCCC(=O)CCO
• InChI: InChI=1S/C14H16O2/c1-2-3-4-5-6-7-8-9-10-11-14(16)12-13-15/h2-3,8-9,15H,10-13H2,1H3
• InChI Key: YNQGTNZWBMDNRZ-UHFFFAOYSA-N
• Popularity: 0 references in papers

Physical and Chemical Properties

• Molecular Formula: C₁₄H₁₆O₂
• Molecular Weight: 216.27 g/mol
• Exact Mass: 216.115029749 g/mol
• Topological Polar Surface Area (TPSA): 37.30 Ų
• XlogP: 1.90

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	90.29%	96.09%
CHEMBL3060	Q9Y345	Glycine transporter 2	89.77%	99.17%
CHEMBL1293267	Q9HC97	G-protein coupled receptor 35	80.55%	89.34%

Plants that contains it

• Bidens pilosa

Cross-Links

• PubChem: 163007027
• LOTUS: LTS0127607
• wikiData: Q105351079