6-oxo-N-(2-phenylethyl)hexa-2,4-dienamide

Details

• Internal ID: 589d4af5-b7b6-4b98-8f6d-0d28a1123efb
• Taxonomy: Lipids and lipid-like molecules > Fatty Acyls > Fatty amides > N-acyl amines
• IUPAC Name: 6-oxo-N-(2-phenylethyl)hexa-2,4-dienamide
• SMILES (Canonical): C1=CC=C(C=C1)CCNC(=O)C=CC=CC=O
• SMILES (Isomeric): C1=CC=C(C=C1)CCNC(=O)C=CC=CC=O
• InChI: InChI=1S/C14H15NO2/c16-12-6-2-5-9-14(17)15-11-10-13-7-3-1-4-8-13/h1-9,12H,10-11H2,(H,15,17)
• InChI Key: CHTYYNQOODAUGQ-UHFFFAOYSA-N
• Popularity: 0 references in papers

Physical and Chemical Properties

• Molecular Formula: C₁₄H₁₅NO₂
• Molecular Weight: 229.27 g/mol
• Exact Mass: 229.110278721 g/mol
• Topological Polar Surface Area (TPSA): 46.20 Ų
• XlogP: 1.80

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
CHEMBL2581	P07339	Cathepsin D	96.19%	98.95%
CHEMBL221	P23219	Cyclooxygenase-1	91.81%	90.17%
CHEMBL5619	P27695	DNA-(apurinic or apyrimidinic site) lyase	91.34%	91.11%
CHEMBL3251	P19838	Nuclear factor NF-kappa-B p105 subunit	89.71%	96.09%
CHEMBL3108638	O15164	Transcription intermediary factor 1-alpha	87.80%	95.56%
CHEMBL5701	Q9H2K8	Serine/threonine-protein kinase TAO3	86.54%	96.67%
CHEMBL3401	O75469	Pregnane X receptor	85.65%	94.73%
CHEMBL5028	O14672	ADAM10	83.64%	97.50%
CHEMBL3902	P09211	Glutathione S-transferase Pi	83.19%	93.81%
CHEMBL3060	Q9Y345	Glycine transporter 2	83.19%	99.17%
CHEMBL3091268	Q92753	Nuclear receptor ROR-beta	83.01%	95.50%
CHEMBL1293249	Q13887	Kruppel-like factor 5	82.72%	86.33%
CHEMBL5261	Q7L7X3	Serine/threonine-protein kinase TAO1	82.43%	89.33%
CHEMBL4208	P20618	Proteasome component C5	81.33%	90.00%

Plants that contains it

• Salmea scandens

Cross-Links

• PubChem: 86126119
• LOTUS: LTS0202954
• wikiData: Q104959278