2H-1-Benzopyran-2-one, 7-hydroxy-5-methoxy-

Details

• Internal ID: 6216a45c-38e2-4431-b6ed-35cf45a5a163
• Taxonomy: Phenylpropanoids and polyketides > Coumarins and derivatives > Hydroxycoumarins > 7-hydroxycoumarins
• IUPAC Name: 7-hydroxy-5-methoxychromen-2-one
• InChI: InChI=1S/C10H8O4/c1-13-8-4-6(11)5-9-7(8)2-3-10(12)14-9/h2-5,11H,1H3
• InChI Key: IFIRYJJHHOCCHT-UHFFFAOYSA-N
• Popularity: 13 references in papers

Physical and Chemical Properties

• Molecular Formula: C₁₀H₈O₄
• Molecular Weight: 192.17 g/mol
• Exact Mass: 192.04225873 g/mol
• Topological Polar Surface Area (TPSA): 55.80 Ų
• XlogP: 1.50

Synonyms

• 3067-10-5
• 7-hydroxy-5-methoxychromen-2-one
• 2H-1-Benzopyran-2-one, 7-hydroxy-5-methoxy-
• CHEMBL449529
• SCHEMBL7837457
• DTXSID30184706
• AKOS022643896
• FS-7860
• 7-Hydroxy-5-methoxy-2H-1-benzopyran-2-one

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	97.87%	91.11%
CHEMBL3108638	O15164	Transcription intermediary factor 1-alpha	94.15%	95.56%
CHEMBL2635	P51452	Dual specificity protein phosphatase 3	92.62%	94.00%
CHEMBL4203	Q9HAZ1	Dual specificity protein kinase CLK4	91.02%	94.45%
CHEMBL1806	P11388	DNA topoisomerase II alpha	89.28%	89.00%
CHEMBL2581	P07339	Cathepsin D	89.23%	98.95%
CHEMBL4306	P22460	Voltage-gated potassium channel subunit Kv1.5	87.17%	94.03%
CHEMBL2535	P11166	Glucose transporter	86.01%	98.75%
CHEMBL3194	P02766	Transthyretin	83.98%	90.71%
CHEMBL3038477	P67870	Casein kinase II alpha/beta	83.33%	99.23%
CHEMBL1293249	Q13887	Kruppel-like factor 5	83.26%	86.33%
CHEMBL3060	Q9Y345	Glycine transporter 2	82.69%	99.17%
CHEMBL225	P28335	Serotonin 2c (5-HT2c) receptor	80.76%	89.62%

Plants that contains it

There are no matching plants.

Cross-Links

• PubChem: 5487854
• LOTUS: LTS0200108
• wikiData: Q83055634