2-[2-Methoxy-4-(3-oxoprop-1-enyl)phenoxy]prop-2-enal

Details

• Internal ID: 8641b465-f1de-463c-82da-efdad9d028de
• Taxonomy: Phenylpropanoids and polyketides > Cinnamaldehydes
• IUPAC Name: 2-[2-methoxy-4-(3-oxoprop-1-enyl)phenoxy]prop-2-enal
• InChI: InChI=1S/C13H12O4/c1-10(9-15)17-12-6-5-11(4-3-7-14)8-13(12)16-2/h3-9H,1H2,2H3
• InChI Key: WBOKDUZHHCSUBJ-UHFFFAOYSA-N
• Popularity: 2 references in papers

Physical and Chemical Properties

• Molecular Formula: C₁₃H₁₂O₄
• Molecular Weight: 232.23 g/mol
• Exact Mass: 232.07355886 g/mol
• Topological Polar Surface Area (TPSA): 52.60 Ų
• XlogP: 1.90

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
CHEMBL1075094	Q16236	Nuclear factor erythroid 2-related factor 2	94.85%	96.00%
CHEMBL3108638	O15164	Transcription intermediary factor 1-alpha	94.33%	95.56%
CHEMBL1293249	Q13887	Kruppel-like factor 5	93.01%	86.33%
CHEMBL3251	P19838	Nuclear factor NF-kappa-B p105 subunit	89.24%	96.09%
CHEMBL5619	P27695	DNA-(apurinic or apyrimidinic site) lyase	87.43%	91.11%
CHEMBL4208	P20618	Proteasome component C5	87.22%	90.00%
CHEMBL1255126	O15151	Protein Mdm4	86.56%	90.20%
CHEMBL3194	P02766	Transthyretin	86.01%	90.71%
CHEMBL3492	P49721	Proteasome Macropain subunit	84.00%	90.24%
CHEMBL225	P28335	Serotonin 2c (5-HT2c) receptor	83.08%	89.62%
CHEMBL3060	Q9Y345	Glycine transporter 2	82.39%	99.17%
CHEMBL1806	P11388	DNA topoisomerase II alpha	81.74%	89.00%
CHEMBL3401	O75469	Pregnane X receptor	80.23%	94.73%

Plants that contains it

• Artemisia annua

Cross-Links

• PubChem: 85670484
• LOTUS: LTS0134665
• wikiData: Q105300869