Methyl 2-(4-methoxyphenyl)-2-oxoacetate

Details

• Internal ID: 615d816f-9be7-43d2-bdb7-a6bc4ed13455
• Taxonomy: Benzenoids > Benzene and substituted derivatives > Benzoyl derivatives
• IUPAC Name: methyl 2-(4-methoxyphenyl)-2-oxoacetate
• InChI: InChI=1S/C10H10O4/c1-13-8-5-3-7(4-6-8)9(11)10(12)14-2/h3-6H,1-2H3
• InChI Key: DDRPUCDBTNWIFK-UHFFFAOYSA-N
• Popularity: 17 references in papers

Physical and Chemical Properties

• Molecular Formula: C₁₀H₁₀O₄
• Molecular Weight: 194.18 g/mol
• Exact Mass: 194.05790880 g/mol
• Topological Polar Surface Area (TPSA): 52.60 Ų
• XlogP: 1.60

Synonyms

• 32766-61-3
• 4-Methoxy-oxo-benzeneacetic acid methyl ester
• methyl 4-methoxybenzoylformate
• SCHEMBL2122107
• AKOS006273584
• methyl2-(4-methoxyphenyl)-2-oxoacetate
• AS-44210
• CS-0433808
• A10125
• EN300-173856

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
CHEMBL4208	P20618	Proteasome component C5	94.31%	90.00%
CHEMBL221	P23219	Cyclooxygenase-1	92.79%	90.17%
CHEMBL5619	P27695	DNA-(apurinic or apyrimidinic site) lyase	89.25%	91.11%
CHEMBL3060	Q9Y345	Glycine transporter 2	87.80%	99.17%
CHEMBL3251	P19838	Nuclear factor NF-kappa-B p105 subunit	86.88%	96.09%
CHEMBL3108638	O15164	Transcription intermediary factor 1-alpha	85.69%	95.56%
CHEMBL2535	P11166	Glucose transporter	85.55%	98.75%
CHEMBL1293277	O15118	Niemann-Pick C1 protein	84.59%	81.11%
CHEMBL1293294	P51151	Ras-related protein Rab-9A	83.80%	87.67%
CHEMBL1293249	Q13887	Kruppel-like factor 5	81.34%	86.33%

Plants that contains it

There are no matching plants.

Cross-Links

• PubChem: 3660944
• LOTUS: LTS0201951
• wikiData: Q104976747