(2E,4E)-4,6,8-trimethyldeca-2,4-dienoic acid

Details

• Internal ID: 4fd19a7b-9b20-4340-8157-68ebe96f5a9f
• Taxonomy: Lipids and lipid-like molecules > Prenol lipids > Monoterpenoids > Acyclic monoterpenoids
• IUPAC Name: (2E,4E)-4,6,8-trimethyldeca-2,4-dienoic acid
• SMILES (Canonical): CCC(C)CC(C)C=C(C)C=CC(=O)O
• SMILES (Isomeric): CCC(C)CC(C)/C=C(\C)/C=C/C(=O)O
• InChI: InChI=1S/C13H22O2/c1-5-10(2)8-12(4)9-11(3)6-7-13(14)15/h6-7,9-10,12H,5,8H2,1-4H3,(H,14,15)/b7-6+,11-9+
• InChI Key: OILLDIIQDQVGSY-RXUIJTJXSA-N
• Popularity: 2 references in papers

Physical and Chemical Properties

• Molecular Formula: C₁₃H₂₂O₂
• Molecular Weight: 210.31 g/mol
• Exact Mass: 210.161979940 g/mol
• Topological Polar Surface Area (TPSA): 37.30 Ų
• XlogP: 4.50

Synonyms

• (2E,4E)-4,6,8-trimethyldeca-2,4-dienoic acid
• CHEBI:189150

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	91.03%	96.09%
CHEMBL2581	P07339	Cathepsin D	89.43%	98.95%
CHEMBL206	P03372	Estrogen receptor alpha	88.63%	97.64%
CHEMBL221	P23219	Cyclooxygenase-1	87.90%	90.17%
CHEMBL3060	Q9Y345	Glycine transporter 2	84.84%	99.17%
CHEMBL4793	Q86TI2	Dipeptidyl peptidase IX	83.80%	96.95%
CHEMBL1907591	P30926	Neuronal acetylcholine receptor; alpha4/beta4	82.69%	100.00%
CHEMBL3359	P21462	Formyl peptide receptor 1	82.11%	93.56%
CHEMBL4657	Q6V1X1	Dipeptidyl peptidase VIII	80.33%	97.21%

Plants that contains it

There are no matching plants.

Cross-Links

• PubChem: 24740398
• LOTUS: LTS0163106
• wikiData: Q77374969