4-Hydroxy-5-methoxy-3-methylnaphtho(2,3-c)furan-1(3H)-one

Details

• Internal ID: 8e68dd5d-d515-4878-ada5-6ed810a784b8
• Taxonomy: Organoheterocyclic compounds > Naphthofurans
• IUPAC Name: 4-hydroxy-5-methoxy-3-methyl-3H-benzo[f][2]benzofuran-1-one
• InChI: InChI=1S/C14H12O4/c1-7-11-9(14(16)18-7)6-8-4-3-5-10(17-2)12(8)13(11)15/h3-7,15H,1-2H3
• InChI Key: KNLHGXVYZRQSJZ-UHFFFAOYSA-N
• Popularity: 3 references in papers

Physical and Chemical Properties

• Molecular Formula: C₁₄H₁₂O₄
• Molecular Weight: 244.24 g/mol
• Exact Mass: 244.07355886 g/mol
• Topological Polar Surface Area (TPSA): 55.80 Ų
• XlogP: 2.60

Synonyms

• DTXSID50574145
• 4-Hydroxy-5-methoxy-3-methylnaphtho[2,3-c]furan-1(3H)-one
• FT-0776623

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	94.34%	91.11%
CHEMBL2635	P51452	Dual specificity protein phosphatase 3	93.97%	94.00%
CHEMBL3108638	O15164	Transcription intermediary factor 1-alpha	93.69%	95.56%
CHEMBL1293249	Q13887	Kruppel-like factor 5	91.62%	86.33%
CHEMBL2581	P07339	Cathepsin D	91.21%	98.95%
CHEMBL2535	P11166	Glucose transporter	89.36%	98.75%
CHEMBL3038477	P67870	Casein kinase II alpha/beta	88.89%	99.23%
CHEMBL3251	P19838	Nuclear factor NF-kappa-B p105 subunit	88.15%	96.09%
CHEMBL1806	P11388	DNA topoisomerase II alpha	86.11%	89.00%
CHEMBL1255126	O15151	Protein Mdm4	84.36%	90.20%
CHEMBL3060	Q9Y345	Glycine transporter 2	83.85%	99.17%
CHEMBL4306	P22460	Voltage-gated potassium channel subunit Kv1.5	80.90%	94.03%
CHEMBL241	Q14432	Phosphodiesterase 3A	80.38%	92.94%

Plants that contains it

• Eleutherine bulbosa

Cross-Links

• PubChem: 15559107
• LOTUS: LTS0102447
• wikiData: Q82463082