e-Eleostearic acid

Details

• Internal ID: d703536d-e451-497e-81c8-c2002d70787f
• Taxonomy: Lipids and lipid-like molecules > Fatty Acyls > Lineolic acids and derivatives
• IUPAC Name: (9E,11E)-octadeca-9,11,13-trienoic acid
• SMILES (Canonical): CCCCC=CC=CC=CCCCCCCCC(=O)O
• SMILES (Isomeric): CCCCC=C/C=C/C=C/CCCCCCCC(=O)O
• InChI: InChI=1S/C18H30O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20/h5-10H,2-4,11-17H2,1H3,(H,19,20)/b6-5?,8-7+,10-9+
• InChI Key: CUXYLFPMQMFGPL-YPWIGCSLSA-N
• Popularity: 3 references in papers

Physical and Chemical Properties

• Molecular Formula: C₁₈H₃₀O₂
• Molecular Weight: 278.40 g/mol
• Exact Mass: 278.224580195 g/mol
• Topological Polar Surface Area (TPSA): 37.30 Ų
• XlogP: 6.40

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
CHEMBL3060	Q9Y345	Glycine transporter 2	97.20%	99.17%
CHEMBL2581	P07339	Cathepsin D	95.72%	98.95%
CHEMBL3251	P19838	Nuclear factor NF-kappa-B p105 subunit	93.13%	96.09%
CHEMBL4769	O95749	Geranylgeranyl pyrophosphate synthetase	91.70%	92.08%
CHEMBL1781	P11387	DNA topoisomerase I	90.27%	97.00%
CHEMBL221	P23219	Cyclooxygenase-1	89.36%	90.17%
CHEMBL4793	Q86TI2	Dipeptidyl peptidase IX	84.37%	96.95%
CHEMBL2001	Q9H244	Purinergic receptor P2Y12	83.05%	96.00%
CHEMBL230	P35354	Cyclooxygenase-2	83.04%	89.63%
CHEMBL3359	P21462	Formyl peptide receptor 1	82.34%	93.56%
CHEMBL5285	Q99683	Mitogen-activated protein kinase kinase kinase 5	82.26%	92.26%
CHEMBL4040	P28482	MAP kinase ERK2	80.90%	83.82%

Plants that contains it

• Catalpa ovata
• Manihot esculenta

Cross-Links

• PubChem: 129717446
• LOTUS: LTS0137794
• wikiData: Q104970581