2-Phenylethyl 3-(4-methoxyphenyl)prop-2-enoate

Details

• Internal ID: 4752d09b-2452-422f-98fb-1f7a618935f7
• Taxonomy: Phenylpropanoids and polyketides > Cinnamic acids and derivatives > Cinnamic acid esters
• IUPAC Name: 2-phenylethyl 3-(4-methoxyphenyl)prop-2-enoate
• InChI: InChI=1S/C18H18O3/c1-20-17-10-7-16(8-11-17)9-12-18(19)21-14-13-15-5-3-2-4-6-15/h2-12H,13-14H2,1H3
• InChI Key: OIWYMQUWSIANKX-UHFFFAOYSA-N
• Popularity: 2 references in papers

Physical and Chemical Properties

• Molecular Formula: C₁₈H₁₈O₃
• Molecular Weight: 282.30 g/mol
• Exact Mass: 282.125594432 g/mol
• Topological Polar Surface Area (TPSA): 35.50 Ų
• XlogP: 4.60

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
CHEMBL221	P23219	Cyclooxygenase-1	98.00%	90.17%
CHEMBL1293249	Q13887	Kruppel-like factor 5	97.29%	86.33%
CHEMBL3251	P19838	Nuclear factor NF-kappa-B p105 subunit	96.95%	96.09%
CHEMBL1075094	Q16236	Nuclear factor erythroid 2-related factor 2	93.42%	96.00%
CHEMBL3108638	O15164	Transcription intermediary factor 1-alpha	93.39%	95.56%
CHEMBL2035	P08912	Muscarinic acetylcholine receptor M5	91.22%	94.62%
CHEMBL3060	Q9Y345	Glycine transporter 2	90.28%	99.17%
CHEMBL2581	P07339	Cathepsin D	89.43%	98.95%
CHEMBL5619	P27695	DNA-(apurinic or apyrimidinic site) lyase	88.68%	91.11%
CHEMBL4208	P20618	Proteasome component C5	87.22%	90.00%
CHEMBL3091268	Q92753	Nuclear receptor ROR-beta	84.77%	95.50%
CHEMBL1907	P15144	Aminopeptidase N	84.16%	93.31%

Plants that contains it

• Bedfordia salicina
• Cydonia oblonga

Cross-Links

• PubChem: 76387609
• LOTUS: LTS0085569
• wikiData: Q105205929