Carbomethoxyvanillin

Details

• Internal ID: 8d8ceb84-b7f5-4618-9f02-57868c70938d
• Taxonomy: Benzenoids > Phenols > Methoxyphenols
• IUPAC Name: methyl 2-(4-hydroxy-3-methoxyphenyl)-2-oxoacetate
• InChI: InChI=1S/C10H10O5/c1-14-8-5-6(3-4-7(8)11)9(12)10(13)15-2/h3-5,11H,1-2H3
• InChI Key: PVRDAVSDHWPSOF-UHFFFAOYSA-N
• Popularity: 3 references in papers

Physical and Chemical Properties

• Molecular Formula: C₁₀H₁₀O₅
• Molecular Weight: 210.18 g/mol
• Exact Mass: 210.05282342 g/mol
• Topological Polar Surface Area (TPSA): 72.80 Ų
• XlogP: 1.60

Synonyms

• DTXSID301247016
• Methyl 4-hydroxy-3-methoxy-alpha-oxobenzeneacetate
• 1208246-43-8

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	96.71%	91.11%
CHEMBL2535	P11166	Glucose transporter	92.18%	98.75%
CHEMBL3060	Q9Y345	Glycine transporter 2	92.08%	99.17%
CHEMBL4208	P20618	Proteasome component C5	91.36%	90.00%
CHEMBL3251	P19838	Nuclear factor NF-kappa-B p105 subunit	89.57%	96.09%
CHEMBL1293249	Q13887	Kruppel-like factor 5	88.87%	86.33%
CHEMBL1255126	O15151	Protein Mdm4	88.51%	90.20%
CHEMBL3108638	O15164	Transcription intermediary factor 1-alpha	83.87%	95.56%
CHEMBL3194	P02766	Transthyretin	83.57%	90.71%
CHEMBL1287628	Q9Y5S8	NADPH oxidase 1	82.15%	95.48%
CHEMBL5845	P23415	Glycine receptor subunit alpha-1	80.45%	90.71%

Plants that contains it

There are no matching plants.

Cross-Links

• PubChem: 101120927
• LOTUS: LTS0205742
• wikiData: Q105215568