(5R,6E,12E)-tetradeca-6,12-dien-8,10-diyne-1,5,14-triol

Details

• Internal ID: c8d14837-aa63-45df-afc9-fb9724e1f334
• Taxonomy: Lipids and lipid-like molecules > Fatty Acyls > Fatty alcohols > Long-chain fatty alcohols
• IUPAC Name: (5R,6E,12E)-tetradeca-6,12-dien-8,10-diyne-1,5,14-triol
• InChI: InChI=1S/C14H18O3/c15-12-8-5-3-1-2-4-6-10-14(17)11-7-9-13-16/h5-6,8,10,14-17H,7,9,11-13H2/b8-5+,10-6+/t14-/m0/s1
• InChI Key: FQNISFHTWRJYNQ-VLAVIKOGSA-N
• Popularity: 2 references in papers

Physical and Chemical Properties

• Molecular Formula: C₁₄H₁₈O₃
• Molecular Weight: 234.29 g/mol
• Exact Mass: 234.125594432 g/mol
• Topological Polar Surface Area (TPSA): 60.70 Ų
• XlogP: 1.00

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
CHEMBL3060	Q9Y345	Glycine transporter 2	90.67%	99.17%
CHEMBL3251	P19838	Nuclear factor NF-kappa-B p105 subunit	89.21%	96.09%
CHEMBL3892	Q99500	Sphingosine 1-phosphate receptor Edg-3	86.28%	97.29%
CHEMBL4040	P28482	MAP kinase ERK2	82.85%	83.82%
CHEMBL5619	P27695	DNA-(apurinic or apyrimidinic site) lyase	82.04%	91.11%
CHEMBL4016	P42262	Glutamate receptor ionotropic, AMPA 2	81.70%	86.92%
CHEMBL1075094	Q16236	Nuclear factor erythroid 2-related factor 2	81.34%	96.00%
CHEMBL2885	P07451	Carbonic anhydrase III	81.14%	87.45%

Plants that contains it

There are no matching plants.

Cross-Links

• PubChem: 162912274
• LOTUS: LTS0074448
• wikiData: Q104999746