2,4-Pentadecadienal, (2E,4Z)-

Details

• Internal ID: 6fface13-398a-419f-89d2-4a4d1e1662d1
• Taxonomy: Lipids and lipid-like molecules > Fatty Acyls > Fatty aldehydes
• IUPAC Name: (2E,4Z)-pentadeca-2,4-dienal
• SMILES (Canonical): CCCCCCCCCCC=CC=CC=O
• SMILES (Isomeric): CCCCCCCCCC/C=C\C=C\C=O
• InChI: InChI=1S/C15H26O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16/h11-15H,2-10H2,1H3/b12-11-,14-13+
• InChI Key: WJGSBYJVUWVJLB-RCWDKCQFSA-N
• Popularity: 0 references in papers

Physical and Chemical Properties

• Molecular Formula: C₁₅H₂₆O
• Molecular Weight: 222.37 g/mol
• Exact Mass: 222.198365449 g/mol
• Topological Polar Surface Area (TPSA): 17.10 Ų
• XlogP: 6.00

Synonyms

• 2,4-Pentadecadienal, (2E,4Z)-
• (2E,4Z)-2,4-Pentadecadienal
• DTXSID001310767

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
CHEMBL4769	O95749	Geranylgeranyl pyrophosphate synthetase	94.99%	92.08%
CHEMBL230	P35354	Cyclooxygenase-2	94.12%	89.63%
CHEMBL2955	O95136	Sphingosine 1-phosphate receptor Edg-5	92.50%	92.86%
CHEMBL2581	P07339	Cathepsin D	92.26%	98.95%
CHEMBL3060	Q9Y345	Glycine transporter 2	91.38%	99.17%
CHEMBL3892	Q99500	Sphingosine 1-phosphate receptor Edg-3	89.80%	97.29%
CHEMBL2265	P23141	Acyl coenzyme A:cholesterol acyltransferase	89.41%	85.94%
CHEMBL3251	P19838	Nuclear factor NF-kappa-B p105 subunit	85.53%	96.09%
CHEMBL5043	Q6P179	Endoplasmic reticulum aminopeptidase 2	83.79%	91.81%
CHEMBL1293267	Q9HC97	G-protein coupled receptor 35	83.38%	89.34%
CHEMBL3401	O75469	Pregnane X receptor	81.81%	94.73%
CHEMBL1781	P11387	DNA topoisomerase I	81.71%	97.00%

Plants that contains it

• Triticum aestivum

Cross-Links

• PubChem: 6440773
• LOTUS: LTS0118717
• wikiData: Q105306767