Methyl p-ethoxycinnamate

Details

• Internal ID: 05732ace-af85-4fc2-a74a-6315c65b9443
• Taxonomy: Phenylpropanoids and polyketides > Cinnamic acids and derivatives > Cinnamic acid esters
• IUPAC Name: methyl 3-(4-ethoxyphenyl)prop-2-enoate
• SMILES (Canonical): CCOC1=CC=C(C=C1)C=CC(=O)OC
• SMILES (Isomeric): CCOC1=CC=C(C=C1)C=CC(=O)OC
• InChI: InChI=1S/C12H14O3/c1-3-15-11-7-4-10(5-8-11)6-9-12(13)14-2/h4-9H,3H2,1-2H3
• InChI Key: XTZZULGXHUQOEN-UHFFFAOYSA-N
• Popularity: 1 reference in papers

Physical and Chemical Properties

• Molecular Formula: C₁₂H₁₄O₃
• Molecular Weight: 206.24 g/mol
• Exact Mass: 206.094294304 g/mol
• Topological Polar Surface Area (TPSA): 35.50 Ų
• XlogP: 3.00

Synonyms

• XTZZULGXHUQOEN-UHFFFAOYSA-N
• AKOS017017520

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
CHEMBL1075094	Q16236	Nuclear factor erythroid 2-related factor 2	95.56%	96.00%
CHEMBL3251	P19838	Nuclear factor NF-kappa-B p105 subunit	93.04%	96.09%
CHEMBL3060	Q9Y345	Glycine transporter 2	92.93%	99.17%
CHEMBL1293249	Q13887	Kruppel-like factor 5	92.06%	86.33%
CHEMBL5619	P27695	DNA-(apurinic or apyrimidinic site) lyase	89.10%	91.11%
CHEMBL4208	P20618	Proteasome component C5	87.66%	90.00%
CHEMBL221	P23219	Cyclooxygenase-1	87.27%	90.17%
CHEMBL3401	O75469	Pregnane X receptor	86.65%	94.73%
CHEMBL3108638	O15164	Transcription intermediary factor 1-alpha	85.10%	95.56%
CHEMBL1293267	Q9HC97	G-protein coupled receptor 35	80.62%	89.34%

Plants that contains it

• Kaempferia galanga

Cross-Links

• PubChem: 53395761
• LOTUS: LTS0074406
• wikiData: Q105342030