N-cinnamoyltyramine

Details

• Internal ID: 01287a1e-d8b7-400b-a49e-0ec0a164dbbd
• Taxonomy: Phenylpropanoids and polyketides > Cinnamic acids and derivatives > Cinnamic acid amides
• IUPAC Name: (E)-N-[2-(4-hydroxyphenyl)ethyl]-3-phenylprop-2-enamide
• SMILES (Canonical): C1=CC=C(C=C1)C=CC(=O)NCCC2=CC=C(C=C2)O
• SMILES (Isomeric): C1=CC=C(C=C1)/C=C/C(=O)NCCC2=CC=C(C=C2)O
• InChI: InChI=1S/C17H17NO2/c19-16-9-6-15(7-10-16)12-13-18-17(20)11-8-14-4-2-1-3-5-14/h1-11,19H,12-13H2,(H,18,20)/b11-8+
• InChI Key: KGOYCHSKGXJDND-DHZHZOJOSA-N
• Popularity: 13 references in papers

Physical and Chemical Properties

• Molecular Formula: C₁₇H₁₇NO₂
• Molecular Weight: 267.32 g/mol
• Exact Mass: 267.125928785 g/mol
• Topological Polar Surface Area (TPSA): 49.30 Ų
• XlogP: 3.10

Synonyms

• cinnamoyltyramine
• N-trans-Cinnamoyltyramine
• CM93V4SY32
• trans-cinnamoyl-p-hydroxybenzenethylamine
• 103188-44-9
• UNII-CM93V4SY32
• CHEMBL417389
• (2E)-N-(2-(4-Hydroxyphenyl)ethyl)-3-phenyl-2-propenamide
• CHEBI:177872
• Cinnamamide, N-(p-hydroxyphenethyl)-
• n-(p-hydroxyphenethyl)-3-phenylpropenamide
• (2E)-N-[2-(4-HYDROXYPHENYL)ETHYL]-3-PHENYLPROP-2-ENAMIDE
• 20384-14-9
• (2E)-N-(2-(4-hydroxyphenyl)ethyl)-3-phenylprop-2-enamide
• (E)-N-(2-(4-hydroxyphenyl)ethyl)-3-phenyl-2-propenamide
• (E)-N-[2-(4-hydroxyphenyl)ethyl]-3-phenyl-2-propenamide
• (2E)-N-[2-(4-Hydroxyphenyl)ethyl]-3-phenyl-2-propenamide
• SCHEMBL22702505
• (E)-N-[2-(4-hydroxyphenyl)ethyl]-3-phenylprop-2-enamide
• KGOYCHSKGXJDND-DHZHZOJOSA-N
• BDBM50069771
• AKOS010246127
• EN300-245816
• EN300-6496383
• (2E)-N-[2-(4-hydroxyphenyl)ethyl]-3-phenylacrylamide
• Z728882330
• (E)-N-[2-(4-Hydroxy-phenyl)-ethyl]-3-phenyl-acrylamide
• (2E)-N-[2-(4-Hydroxyphenyl)ethyl]-3-phenyl-2-propenamide #

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	96.49%	98.95%
CHEMBL5619	P27695	DNA-(apurinic or apyrimidinic site) lyase	96.13%	91.11%
CHEMBL5701	Q9H2K8	Serine/threonine-protein kinase TAO3	92.47%	96.67%
CHEMBL1293249	Q13887	Kruppel-like factor 5	91.16%	86.33%
CHEMBL5261	Q7L7X3	Serine/threonine-protein kinase TAO1	89.59%	89.33%
CHEMBL3060	Q9Y345	Glycine transporter 2	89.23%	99.17%
CHEMBL3091268	Q92753	Nuclear receptor ROR-beta	87.70%	95.50%
CHEMBL3251	P19838	Nuclear factor NF-kappa-B p105 subunit	87.07%	96.09%
CHEMBL2035	P08912	Muscarinic acetylcholine receptor M5	87.02%	94.62%
CHEMBL3108638	O15164	Transcription intermediary factor 1-alpha	86.97%	95.56%
CHEMBL1075094	Q16236	Nuclear factor erythroid 2-related factor 2	86.54%	96.00%
CHEMBL2563	Q9UQL6	Histone deacetylase 5	86.09%	89.67%
CHEMBL3401	O75469	Pregnane X receptor	80.42%	94.73%

Plants that contains it

• Aristolochia cucurbitifolia
• Paeonia anomala subsp. veitchii

Cross-Links

• PubChem: 5315911
• NPASS: NPC96224
• ChEMBL: CHEMBL417389
• LOTUS: LTS0265948
• wikiData: Q76303465