[(3R,4E,6Z,12E)-3,14-diacetyloxytetradeca-4,6,12-trien-8,10-diynyl] acetate

Details

• Internal ID: 5588db7c-1697-438c-bdd9-eae9c275af48
• Taxonomy: Lipids and lipid-like molecules > Fatty Acyls > Fatty alcohol esters
• IUPAC Name: [(3R,4E,6Z,12E)-3,14-diacetyloxytetradeca-4,6,12-trien-8,10-diynyl] acetate
• InChI: InChI=1S/C20H22O6/c1-17(21)24-15-12-10-8-6-4-5-7-9-11-13-20(26-19(3)23)14-16-25-18(2)22/h7,9-13,20H,14-16H2,1-3H3/b9-7-,12-10+,13-11+/t20-/m0/s1
• InChI Key: FHMJPDDYIZJLRC-PUYRJQRLSA-N
• Popularity: 2 references in papers

Physical and Chemical Properties

• Molecular Formula: C₂₀H₂₂O₆
• Molecular Weight: 358.40 g/mol
• Exact Mass: 358.14163842 g/mol
• Topological Polar Surface Area (TPSA): 78.90 Ų
• XlogP: 2.70

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	94.77%	96.09%
CHEMBL3060	Q9Y345	Glycine transporter 2	90.15%	99.17%
CHEMBL4203	Q9HAZ1	Dual specificity protein kinase CLK4	88.38%	94.45%
CHEMBL1075094	Q16236	Nuclear factor erythroid 2-related factor 2	85.32%	96.00%
CHEMBL253	P34972	Cannabinoid CB2 receptor	82.08%	97.25%
CHEMBL5619	P27695	DNA-(apurinic or apyrimidinic site) lyase	81.93%	91.11%
CHEMBL3145	P42338	PI3-kinase p110-beta subunit	80.79%	98.75%
CHEMBL2581	P07339	Cathepsin D	80.31%	98.95%

Plants that contains it

There are no matching plants.

Cross-Links

• PubChem: 162873502
• LOTUS: LTS0102582
• wikiData: Q104995339