(3R,5E,7E,9E,11E,13E,15E,17E)-3-acetyloxy-18-methyl-19-oxoicosa-5,7,9,11,13,15,17-heptaenoic acid

Details

• Internal ID: ba511ca5-667a-42cf-a394-1907ff4b624a
• Taxonomy: Lipids and lipid-like molecules > Fatty Acyls > Fatty acids and conjugates > Long-chain fatty acids
• IUPAC Name: (3R,5E,7E,9E,11E,13E,15E,17E)-3-acetyloxy-18-methyl-19-oxoicosa-5,7,9,11,13,15,17-heptaenoic acid
• InChI: InChI=1S/C23H28O5/c1-19(20(2)24)16-14-12-10-8-6-4-5-7-9-11-13-15-17-22(18-23(26)27)28-21(3)25/h4-16,22H,17-18H2,1-3H3,(H,26,27)/b6-4+,7-5+,10-8+,11-9+,14-12+,15-13+,19-16+/t22-/m1/s1
• InChI Key: GJAUAWFUYQWOPH-NCNGIYECSA-N
• Popularity: 0 references in papers

Physical and Chemical Properties

• Molecular Formula: C₂₃H₂₈O₅
• Molecular Weight: 384.50 g/mol
• Exact Mass: 384.19367399 g/mol
• Topological Polar Surface Area (TPSA): 80.70 Ų
• XlogP: 4.40

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
CHEMBL2581	P07339	Cathepsin D	93.82%	98.95%
CHEMBL3251	P19838	Nuclear factor NF-kappa-B p105 subunit	93.12%	96.09%
CHEMBL3060	Q9Y345	Glycine transporter 2	90.64%	99.17%
CHEMBL4203	Q9HAZ1	Dual specificity protein kinase CLK4	87.20%	94.45%
CHEMBL4657	Q6V1X1	Dipeptidyl peptidase VIII	85.07%	97.21%
CHEMBL340	P08684	Cytochrome P450 3A4	82.91%	91.19%
CHEMBL1907598	P05106	Integrin alpha-V/beta-3	82.87%	95.71%
CHEMBL5619	P27695	DNA-(apurinic or apyrimidinic site) lyase	82.85%	91.11%
CHEMBL4793	Q86TI2	Dipeptidyl peptidase IX	82.23%	96.95%
CHEMBL1075094	Q16236	Nuclear factor erythroid 2-related factor 2	81.38%	96.00%

Plants that contains it

There are no matching plants.

Cross-Links

• PubChem: 162910959
• LOTUS: LTS0096517
• wikiData: Q105009310