(2Z,4E)-3-methyl-2,4-decadienoic acid

Details

• Internal ID: d7add665-6637-486c-8b59-5a98f96bc430
• Taxonomy: Lipids and lipid-like molecules > Fatty Acyls > Fatty acids and conjugates > Medium-chain fatty acids
• IUPAC Name: (2Z,4E)-3-methyldeca-2,4-dienoic acid
• SMILES (Canonical): CCCCCC=CC(=CC(=O)O)C
• SMILES (Isomeric): CCCCC/C=C/C(=C\C(=O)O)/C
• InChI: InChI=1S/C11H18O2/c1-3-4-5-6-7-8-10(2)9-11(12)13/h7-9H,3-6H2,1-2H3,(H,12,13)/b8-7+,10-9-
• InChI Key: HBIHEKAVUPUBGT-GOJKSUSPSA-N
• Popularity: 3 references in papers

Physical and Chemical Properties

• Molecular Formula: C₁₁H₁₈O₂
• Molecular Weight: 182.26 g/mol
• Exact Mass: 182.130679813 g/mol
• Topological Polar Surface Area (TPSA): 37.30 Ų
• XlogP: 3.90

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	94.38%	99.17%
CHEMBL2061	P19793	Retinoid X receptor alpha	92.61%	91.67%
CHEMBL230	P35354	Cyclooxygenase-2	92.13%	89.63%
CHEMBL2581	P07339	Cathepsin D	91.52%	98.95%
CHEMBL2004	P48443	Retinoid X receptor gamma	90.46%	100.00%
CHEMBL1870	P28702	Retinoid X receptor beta	89.65%	95.00%
CHEMBL221	P23219	Cyclooxygenase-1	86.90%	90.17%
CHEMBL4769	O95749	Geranylgeranyl pyrophosphate synthetase	86.61%	92.08%
CHEMBL4793	Q86TI2	Dipeptidyl peptidase IX	84.88%	96.95%
CHEMBL3251	P19838	Nuclear factor NF-kappa-B p105 subunit	82.72%	96.09%
CHEMBL3892	Q99500	Sphingosine 1-phosphate receptor Edg-3	82.44%	97.29%
CHEMBL3359	P21462	Formyl peptide receptor 1	81.79%	93.56%
CHEMBL1293267	Q9HC97	G-protein coupled receptor 35	81.06%	89.34%

Plants that contains it

There are no matching plants.

Cross-Links

• PubChem: 146683540
• LOTUS: LTS0215479
• wikiData: Q105025313