2-Methoxy-5-methylchromon

Details

• Internal ID: c8bc0c50-61bd-4668-aeb4-7666a6f6b6ad
• Taxonomy: Organoheterocyclic compounds > Benzopyrans > 1-benzopyrans > Chromones > 2-methoxychromones
• IUPAC Name: 2-methoxy-5-methylchromen-4-one
• InChI: InChI=1S/C11H10O3/c1-7-4-3-5-9-11(7)8(12)6-10(13-2)14-9/h3-6H,1-2H3
• InChI Key: ZFEJELGWRRIYKX-UHFFFAOYSA-N
• Popularity: 1 reference in papers

Physical and Chemical Properties

• Molecular Formula: C₁₁H₁₀O₃
• Molecular Weight: 190.19 g/mol
• Exact Mass: 190.062994177 g/mol
• Topological Polar Surface Area (TPSA): 35.50 Ų
• XlogP: 2.10

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	93.68%	91.11%
CHEMBL3401	O75469	Pregnane X receptor	93.67%	94.73%
CHEMBL3108638	O15164	Transcription intermediary factor 1-alpha	93.18%	95.56%
CHEMBL2581	P07339	Cathepsin D	92.77%	98.95%
CHEMBL1293249	Q13887	Kruppel-like factor 5	91.26%	86.33%
CHEMBL5409	Q8TDU6	G-protein coupled bile acid receptor 1	88.84%	93.65%
CHEMBL2635	P51452	Dual specificity protein phosphatase 3	88.33%	94.00%
CHEMBL2535	P11166	Glucose transporter	86.97%	98.75%
CHEMBL4203	Q9HAZ1	Dual specificity protein kinase CLK4	85.08%	94.45%
CHEMBL3192	Q9BY41	Histone deacetylase 8	84.46%	93.99%
CHEMBL3038477	P67870	Casein kinase II alpha/beta	83.99%	99.23%
CHEMBL4481	P35228	Nitric oxide synthase, inducible	83.86%	94.80%
CHEMBL1907	P15144	Aminopeptidase N	83.69%	93.31%
CHEMBL1806	P11388	DNA topoisomerase II alpha	82.19%	89.00%
CHEMBL2146302	O94925	Glutaminase kidney isoform, mitochondrial	81.90%	100.00%
CHEMBL1075094	Q16236	Nuclear factor erythroid 2-related factor 2	80.72%	96.00%

Plants that contains it

• Onoseris gnaphalioides

Cross-Links

• PubChem: 85962373
• LOTUS: LTS0186929
• wikiData: Q105374056