(2E,4E,8E,13S)-13-hydroxytetradeca-2,4,8-trienoic acid

Details

• Internal ID: 40572bf2-49e9-4b63-a39f-3b7b1d752f9e
• Taxonomy: Lipids and lipid-like molecules > Fatty Acyls > Fatty acids and conjugates > Long-chain fatty acids
• IUPAC Name: (2E,4E,8E,13S)-13-hydroxytetradeca-2,4,8-trienoic acid
• InChI: InChI=1S/C14H22O3/c1-13(15)11-9-7-5-3-2-4-6-8-10-12-14(16)17/h3,5-6,8,10,12-13,15H,2,4,7,9,11H2,1H3,(H,16,17)/b5-3+,8-6+,12-10+/t13-/m0/s1
• InChI Key: UZOXUKLWMRPYCQ-HIGNJNIISA-N
• Popularity: 3 references in papers

Physical and Chemical Properties

• Molecular Formula: C₁₄H₂₂O₃
• Molecular Weight: 238.32 g/mol
• Exact Mass: 238.15689456 g/mol
• Topological Polar Surface Area (TPSA): 57.50 Ų
• XlogP: 2.80

Synonyms

• RefChem:68783
• (S,2E,4E,8E)-13-Hydroxy-2,4,8-tetradecatrienate
• CHEBI:227792
• (S,2e,4e,8e)-13-hydroxy-2,4,8-tetradecatrienic acid

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	90.81%	99.17%
CHEMBL3251	P19838	Nuclear factor NF-kappa-B p105 subunit	90.43%	96.09%
CHEMBL2581	P07339	Cathepsin D	87.36%	98.95%
CHEMBL3130	O00329	PI3-kinase p110-delta subunit	87.12%	96.47%
CHEMBL1907591	P30926	Neuronal acetylcholine receptor; alpha4/beta4	86.53%	100.00%
CHEMBL3892	Q99500	Sphingosine 1-phosphate receptor Edg-3	84.82%	97.29%
CHEMBL3145	P42338	PI3-kinase p110-beta subunit	84.10%	98.75%
CHEMBL3359	P21462	Formyl peptide receptor 1	82.84%	93.56%
CHEMBL1075094	Q16236	Nuclear factor erythroid 2-related factor 2	80.81%	96.00%
CHEMBL3401	O75469	Pregnane X receptor	80.01%	94.73%

Plants that contains it

There are no matching plants.

Cross-Links

• PubChem: 101915802
• LOTUS: LTS0235217
• wikiData: Q77513976