Naphtho(2,3-b)furan-4,9-dione, 5-hydroxy-

Details

• Internal ID: 36c50cf8-2e88-4789-875e-9c44ac103964
• Taxonomy: Organoheterocyclic compounds > Naphthofurans
• IUPAC Name: 5-hydroxybenzo[f][1]benzofuran-4,9-dione
• SMILES (Canonical): C1=CC2=C(C(=C1)O)C(=O)C3=C(C2=O)OC=C3
• SMILES (Isomeric): C1=CC2=C(C(=C1)O)C(=O)C3=C(C2=O)OC=C3
• InChI: InChI=1S/C12H6O4/c13-8-3-1-2-6-9(8)10(14)7-4-5-16-12(7)11(6)15/h1-5,13H
• InChI Key: IXMPDWSXRSNDPG-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: 2.50

Synonyms

• Naphtho(2,3-b)furan-4,9-dione, 5-hydroxy-
• Diodantunezone
• SCHEMBL867205
• DTXSID00237076

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	99.58%	91.49%
CHEMBL3108638	O15164	Transcription intermediary factor 1-alpha	94.58%	95.56%
CHEMBL2581	P07339	Cathepsin D	94.29%	98.95%
CHEMBL3038477	P67870	Casein kinase II alpha/beta	92.99%	99.23%
CHEMBL5619	P27695	DNA-(apurinic or apyrimidinic site) lyase	91.86%	91.11%
CHEMBL1806	P11388	DNA topoisomerase II alpha	89.74%	89.00%
CHEMBL3401	O75469	Pregnane X receptor	88.03%	94.73%
CHEMBL1860	P10827	Thyroid hormone receptor alpha	86.40%	99.15%
CHEMBL2378	P30307	Dual specificity phosphatase Cdc25C	84.57%	96.67%
CHEMBL2635	P51452	Dual specificity protein phosphatase 3	82.23%	94.00%

Plants that contains it

• Lantana achyranthifolia
• Lantana camara

Cross-Links

• PubChem: 181936
• LOTUS: LTS0041372
• wikiData: Q83119161