7-Hydroxybenzo[f][1]benzofuran-4,9-dione

Details

• Internal ID: 86b90245-0480-4785-b578-180f18a6e9bd
• Taxonomy: Organoheterocyclic compounds > Naphthofurans
• IUPAC Name: 7-hydroxybenzo[f][1]benzofuran-4,9-dione
• SMILES (Canonical): C1=CC2=C(C=C1O)C(=O)C3=C(C2=O)C=CO3
• SMILES (Isomeric): C1=CC2=C(C=C1O)C(=O)C3=C(C2=O)C=CO3
• InChI: InChI=1S/C12H6O4/c13-6-1-2-7-9(5-6)11(15)12-8(10(7)14)3-4-16-12/h1-5,13H
• InChI Key: CEYCQMODSNDLEW-UHFFFAOYSA-N
• Popularity: 0 references in papers

Physical and Chemical Properties

• Molecular Formula: C₁₂H₆O₄
• Molecular Weight: 214.17 g/mol
• Exact Mass: 214.02660867 g/mol
• Topological Polar Surface Area (TPSA): 67.50 Ų
• XlogP: 1.90

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	99.04%	91.49%
CHEMBL5619	P27695	DNA-(apurinic or apyrimidinic site) lyase	94.32%	91.11%
CHEMBL2581	P07339	Cathepsin D	94.06%	98.95%
CHEMBL3108638	O15164	Transcription intermediary factor 1-alpha	91.42%	95.56%
CHEMBL1806	P11388	DNA topoisomerase II alpha	90.16%	89.00%
CHEMBL5845	P23415	Glycine receptor subunit alpha-1	87.98%	90.71%
CHEMBL3401	O75469	Pregnane X receptor	82.60%	94.73%
CHEMBL1293249	Q13887	Kruppel-like factor 5	80.51%	86.33%

Plants that contains it

• Avicennia marina

Cross-Links

• PubChem: 44423353
• LOTUS: LTS0199035
• wikiData: Q104956204