8,11,14-Heptadecatrienal

Details

• Internal ID: b0a64c69-44cd-401a-ad3f-0314aa3e9e90
• Taxonomy: Lipids and lipid-like molecules > Fatty Acyls > Fatty aldehydes
• IUPAC Name: heptadeca-8,11,14-trienal
• SMILES (Canonical): CCC=CCC=CCC=CCCCCCCC=O
• SMILES (Isomeric): CCC=CCC=CCC=CCCCCCCC=O
• InChI: InChI=1S/C17H28O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18/h3-4,6-7,9-10,17H,2,5,8,11-16H2,1H3
• InChI Key: NIPNNUONNZABRE-UHFFFAOYSA-N
• Popularity: 8 references in papers

Physical and Chemical Properties

• Molecular Formula: C₁₇H₂₈O
• Molecular Weight: 248.40 g/mol
• Exact Mass: 248.214015512 g/mol
• Topological Polar Surface Area (TPSA): 17.10 Ų
• XlogP: 5.30

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
CHEMBL239	Q07869	Peroxisome proliferator-activated receptor alpha	94.35%	90.75%
CHEMBL2581	P07339	Cathepsin D	91.26%	98.95%
CHEMBL3251	P19838	Nuclear factor NF-kappa-B p105 subunit	90.87%	96.09%
CHEMBL3060	Q9Y345	Glycine transporter 2	89.72%	99.17%
CHEMBL3108638	O15164	Transcription intermediary factor 1-alpha	83.22%	95.56%
CHEMBL221	P23219	Cyclooxygenase-1	81.86%	90.17%
CHEMBL1075094	Q16236	Nuclear factor erythroid 2-related factor 2	81.85%	96.00%
CHEMBL1781	P11387	DNA topoisomerase I	81.25%	97.00%
CHEMBL1293267	Q9HC97	G-protein coupled receptor 35	81.11%	89.34%
CHEMBL2664	P23526	Adenosylhomocysteinase	80.48%	86.67%

Plants that contains it

• Nicotiana tabacum

Cross-Links

• PubChem: 71336211
• LOTUS: LTS0083535
• wikiData: Q105179940