4-Hydroxy-6,8-dimethoxy-1-methylquinolin-2-one

Details

• Internal ID: 13b6add1-c889-4dc0-8c35-36786f431f23
• Taxonomy: Organoheterocyclic compounds > Quinolines and derivatives > Quinolones and derivatives > Hydroxyquinolones
• IUPAC Name: 4-hydroxy-6,8-dimethoxy-1-methylquinolin-2-one
• SMILES (Canonical): CN1C(=O)C=C(C2=C1C(=CC(=C2)OC)OC)O
• SMILES (Isomeric): CN1C(=O)C=C(C2=C1C(=CC(=C2)OC)OC)O
• InChI: InChI=1S/C12H13NO4/c1-13-11(15)6-9(14)8-4-7(16-2)5-10(17-3)12(8)13/h4-6,14H,1-3H3
• InChI Key: GJXVDSKKWOHCHJ-UHFFFAOYSA-N
• Popularity: 1 reference in papers

Physical and Chemical Properties

• Molecular Formula: C₁₂H₁₃NO₄
• Molecular Weight: 235.24 g/mol
• Exact Mass: 235.08445790 g/mol
• Topological Polar Surface Area (TPSA): 59.00 Ų
• XlogP: 0.80

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
CHEMBL3108638	O15164	Transcription intermediary factor 1-alpha	96.16%	95.56%
CHEMBL3251	P19838	Nuclear factor NF-kappa-B p105 subunit	94.93%	96.09%
CHEMBL4261	Q16665	Hypoxia-inducible factor 1 alpha	93.34%	85.14%
CHEMBL5619	P27695	DNA-(apurinic or apyrimidinic site) lyase	92.82%	91.11%
CHEMBL2581	P07339	Cathepsin D	92.36%	98.95%
CHEMBL2635	P51452	Dual specificity protein phosphatase 3	91.63%	94.00%
CHEMBL1860	P10827	Thyroid hormone receptor alpha	91.48%	99.15%
CHEMBL4208	P20618	Proteasome component C5	90.23%	90.00%
CHEMBL2535	P11166	Glucose transporter	86.60%	98.75%
CHEMBL1293249	Q13887	Kruppel-like factor 5	85.12%	86.33%
CHEMBL3192	Q9BY41	Histone deacetylase 8	82.74%	93.99%
CHEMBL1806	P11388	DNA topoisomerase II alpha	80.28%	89.00%

Plants that contains it

• Halfordia kendack

Cross-Links

• PubChem: 121015249
• LOTUS: LTS0089319
• wikiData: Q105009608