2-(4'-Hydroxy-3'-methoxyphenyl)-2-oxoacetamide

Details

• Internal ID: fb6686f3-0dae-4285-95ab-e170074ee3b6
• Taxonomy: Benzenoids > Phenols > Methoxyphenols
• IUPAC Name: 2-(4-hydroxy-3-methoxyphenyl)-2-oxoacetamide
• SMILES (Canonical): COC1=C(C=CC(=C1)C(=O)C(=O)N)O
• SMILES (Isomeric): COC1=C(C=CC(=C1)C(=O)C(=O)N)O
• InChI: InChI=1S/C9H9NO4/c1-14-7-4-5(2-3-6(7)11)8(12)9(10)13/h2-4,11H,1H3,(H2,10,13)
• InChI Key: WYENAAOBQDROIB-UHFFFAOYSA-N
• Popularity: 1 reference in papers

Physical and Chemical Properties

• Molecular Formula: C₉H₉NO₄
• Molecular Weight: 195.17 g/mol
• Exact Mass: 195.05315777 g/mol
• Topological Polar Surface Area (TPSA): 89.60 Ų
• XlogP: 0.70

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	96.83%	91.11%
CHEMBL3251	P19838	Nuclear factor NF-kappa-B p105 subunit	93.55%	96.09%
CHEMBL1293249	Q13887	Kruppel-like factor 5	93.39%	86.33%
CHEMBL4208	P20618	Proteasome component C5	92.64%	90.00%
CHEMBL3060	Q9Y345	Glycine transporter 2	91.50%	99.17%
CHEMBL2535	P11166	Glucose transporter	89.72%	98.75%
CHEMBL1255126	O15151	Protein Mdm4	89.17%	90.20%
CHEMBL3108638	O15164	Transcription intermediary factor 1-alpha	89.11%	95.56%
CHEMBL3194	P02766	Transthyretin	85.36%	90.71%
CHEMBL1287628	Q9Y5S8	NADPH oxidase 1	83.72%	95.48%
CHEMBL225	P28335	Serotonin 2c (5-HT2c) receptor	83.70%	89.62%
CHEMBL3492	P49721	Proteasome Macropain subunit	82.74%	90.24%
CHEMBL241	Q14432	Phosphodiesterase 3A	82.08%	92.94%

Plants that contains it

• Populus euphratica

Cross-Links

• PubChem: 129881716
• LOTUS: LTS0209437
• wikiData: Q105322134