6-Hydroxy-4-methoxy-5-methylchromen-2-one

Details

• Internal ID: 139f9b36-b1c4-433a-b4f1-7bca731efe40
• Taxonomy: Phenylpropanoids and polyketides > Coumarins and derivatives > Hydroxycoumarins
• IUPAC Name: 6-hydroxy-4-methoxy-5-methylchromen-2-one
• SMILES (Canonical): CC1=C(C=CC2=C1C(=CC(=O)O2)OC)O
• SMILES (Isomeric): CC1=C(C=CC2=C1C(=CC(=O)O2)OC)O
• InChI: InChI=1S/C11H10O4/c1-6-7(12)3-4-8-11(6)9(14-2)5-10(13)15-8/h3-5,12H,1-2H3
• InChI Key: XGCHWRRIHYVQRO-UHFFFAOYSA-N
• Popularity: 1 reference in papers

Physical and Chemical Properties

• Molecular Formula: C₁₁H₁₀O₄
• Molecular Weight: 206.19 g/mol
• Exact Mass: 206.05790880 g/mol
• Topological Polar Surface Area (TPSA): 55.80 Ų
• XlogP: 1.60

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	97.96%	91.11%
CHEMBL2635	P51452	Dual specificity protein phosphatase 3	95.33%	94.00%
CHEMBL3108638	O15164	Transcription intermediary factor 1-alpha	95.01%	95.56%
CHEMBL4203	Q9HAZ1	Dual specificity protein kinase CLK4	93.31%	94.45%
CHEMBL3038477	P67870	Casein kinase II alpha/beta	88.49%	99.23%
CHEMBL2581	P07339	Cathepsin D	88.19%	98.95%
CHEMBL1293249	Q13887	Kruppel-like factor 5	87.30%	86.33%
CHEMBL1860	P10827	Thyroid hormone receptor alpha	87.12%	99.15%
CHEMBL1806	P11388	DNA topoisomerase II alpha	86.48%	89.00%
CHEMBL2535	P11166	Glucose transporter	85.80%	98.75%
CHEMBL3192	Q9BY41	Histone deacetylase 8	85.78%	93.99%
CHEMBL3194	P02766	Transthyretin	85.75%	90.71%
CHEMBL4208	P20618	Proteasome component C5	83.59%	90.00%

Plants that contains it

• Gerbera jamesonii
• Glaucidium palmatum

Cross-Links

• PubChem: 23260079
• LOTUS: LTS0138209
• wikiData: Q105327495