Ethenyl 3-(3,4-dihydroxyphenyl)prop-2-enoate

Details

• Internal ID: 41d871f2-453f-43a4-a9c7-80423927a814
• Taxonomy: Phenylpropanoids and polyketides > Cinnamic acids and derivatives > Hydroxycinnamic acids and derivatives > Coumaric acids and derivatives
• IUPAC Name: ethenyl 3-(3,4-dihydroxyphenyl)prop-2-enoate
• SMILES (Canonical): C=COC(=O)C=CC1=CC(=C(C=C1)O)O
• SMILES (Isomeric): C=COC(=O)C=CC1=CC(=C(C=C1)O)O
• InChI: InChI=1S/C11H10O4/c1-2-15-11(14)6-4-8-3-5-9(12)10(13)7-8/h2-7,12-13H,1H2
• InChI Key: XVCVDNKCUNGTRP-UHFFFAOYSA-N
• Popularity: 0 references in papers

Physical and Chemical Properties

• Molecular Formula: C₁₁H₁₀O₄
• Molecular Weight: 206.19 g/mol
• Exact Mass: 206.05790880 g/mol
• Topological Polar Surface Area (TPSA): 66.80 Ų
• XlogP: 2.00

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
CHEMBL5619	P27695	DNA-(apurinic or apyrimidinic site) lyase	98.82%	91.11%
CHEMBL1951	P21397	Monoamine oxidase A	97.66%	91.49%
CHEMBL3194	P02766	Transthyretin	94.30%	90.71%
CHEMBL1293249	Q13887	Kruppel-like factor 5	93.00%	86.33%
CHEMBL3108638	O15164	Transcription intermediary factor 1-alpha	89.09%	95.56%
CHEMBL2085	P14174	Macrophage migration inhibitory factor	88.06%	80.78%
CHEMBL1075094	Q16236	Nuclear factor erythroid 2-related factor 2	87.89%	96.00%
CHEMBL4203	Q9HAZ1	Dual specificity protein kinase CLK4	87.72%	94.45%
CHEMBL1806	P11388	DNA topoisomerase II alpha	85.75%	89.00%
CHEMBL4208	P20618	Proteasome component C5	84.60%	90.00%
CHEMBL1929	P47989	Xanthine dehydrogenase	83.47%	96.12%
CHEMBL3060	Q9Y345	Glycine transporter 2	81.95%	99.17%

Plants that contains it

• Perilla frutescens

Cross-Links

• PubChem: 71435608
• LOTUS: LTS0149344
• wikiData: Q105342794