5-Hydroxy-6-methoxybenzo[f][1]benzofuran-4,9-dione

Details

• Internal ID: 45167342-5520-4569-b04e-277a4d71f9ab
• Taxonomy: Organoheterocyclic compounds > Naphthofurans
• IUPAC Name: 5-hydroxy-6-methoxybenzo[f][1]benzofuran-4,9-dione
• SMILES (Canonical): COC1=C(C2=C(C=C1)C(=O)C3=C(C2=O)C=CO3)O
• SMILES (Isomeric): COC1=C(C2=C(C=C1)C(=O)C3=C(C2=O)C=CO3)O
• InChI: InChI=1S/C13H8O5/c1-17-8-3-2-6-9(12(8)16)10(14)7-4-5-18-13(7)11(6)15/h2-5,16H,1H3
• InChI Key: XPDSROSZHJSDFW-UHFFFAOYSA-N
• Popularity: 0 references in papers

Physical and Chemical Properties

• Molecular Formula: C₁₃H₈O₅
• Molecular Weight: 244.20 g/mol
• Exact Mass: 244.03717335 g/mol
• Topological Polar Surface Area (TPSA): 76.70 Ų
• XlogP: 2.40

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
CHEMBL1951	P21397	Monoamine oxidase A	98.53%	91.49%
CHEMBL5619	P27695	DNA-(apurinic or apyrimidinic site) lyase	95.16%	91.11%
CHEMBL3108638	O15164	Transcription intermediary factor 1-alpha	93.66%	95.56%
CHEMBL2581	P07339	Cathepsin D	92.65%	98.95%
CHEMBL2635	P51452	Dual specificity protein phosphatase 3	90.90%	94.00%
CHEMBL1806	P11388	DNA topoisomerase II alpha	89.92%	89.00%
CHEMBL2378	P30307	Dual specificity phosphatase Cdc25C	85.41%	96.67%
CHEMBL1293249	Q13887	Kruppel-like factor 5	84.69%	86.33%
CHEMBL1075094	Q16236	Nuclear factor erythroid 2-related factor 2	84.57%	96.00%
CHEMBL3251	P19838	Nuclear factor NF-kappa-B p105 subunit	83.44%	96.09%
CHEMBL3038477	P67870	Casein kinase II alpha/beta	83.31%	99.23%
CHEMBL2002	P12268	Inosine-5'-monophosphate dehydrogenase 2	82.33%	98.21%
CHEMBL1255126	O15151	Protein Mdm4	81.00%	90.20%
CHEMBL5608	Q16288	NT-3 growth factor receptor	80.67%	95.89%

Plants that contains it

• Lantana camara

Cross-Links

• PubChem: 14890476
• LOTUS: LTS0074706
• wikiData: Q105338209