Euparone

Details

• Internal ID: 3e48f646-fc5d-4f72-a34f-02fae23f7143
• Taxonomy: Organoheterocyclic compounds > Benzofurans
• IUPAC Name: 1-(5-acetyl-6-hydroxy-1-benzofuran-2-yl)ethanone
• SMILES (Canonical): CC(=O)C1=CC2=CC(=C(C=C2O1)O)C(=O)C
• SMILES (Isomeric): CC(=O)C1=CC2=CC(=C(C=C2O1)O)C(=O)C
• InChI: InChI=1S/C12H10O4/c1-6(13)9-3-8-4-11(7(2)14)16-12(8)5-10(9)15/h3-5,15H,1-2H3
• InChI Key: FOXRXAILTBHLQA-UHFFFAOYSA-N
• Popularity: 4 references in papers

Physical and Chemical Properties

• Molecular Formula: C₁₂H₁₀O₄
• Molecular Weight: 218.20 g/mol
• Exact Mass: 218.05790880 g/mol
• Topological Polar Surface Area (TPSA): 67.50 Ų
• XlogP: 2.20

Synonyms

• 53947-86-7
• 2,5-Diacetyl-6-hydroxybenzofuran
• 1-(5-acetyl-6-hydroxy-1-benzofuran-2-yl)ethanone
• Ethanone, 1,1'-(6-hydroxy-2,5-benzofurandiyl)bis-
• DTXSID10968748
• FOXRXAILTBHLQA-UHFFFAOYSA-N
• 1,1'-(6-Hydroxy-1-benzofuran-2,5-diyl)di(ethan-1-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	94.41%	91.11%
CHEMBL3401	O75469	Pregnane X receptor	88.86%	94.73%
CHEMBL3864	Q06124	Protein-tyrosine phosphatase 2C	88.16%	94.42%
CHEMBL2635	P51452	Dual specificity protein phosphatase 3	87.68%	94.00%
CHEMBL3060	Q9Y345	Glycine transporter 2	85.55%	99.17%
CHEMBL3251	P19838	Nuclear factor NF-kappa-B p105 subunit	85.55%	96.09%
CHEMBL2581	P07339	Cathepsin D	84.53%	98.95%
CHEMBL5409	Q8TDU6	G-protein coupled bile acid receptor 1	84.17%	93.65%
CHEMBL4261	Q16665	Hypoxia-inducible factor 1 alpha	84.04%	85.14%
CHEMBL4793	Q86TI2	Dipeptidyl peptidase IX	80.12%	96.95%

Plants that contains it

• Adina eurhyncha
• Agave parryi var. huachucensis
• Aloe vera
• Angiopteris helferiana
• Anisomeles indica
• Anomospermum grandifolium
• Calea mediterranea
• Catunaregam longispina
• Centaurea diffusa
• Clarkia unguiculata
• Dahlstedtia pinnata
• Daphne papyracea
• Dermatophyllum secundiflorum
• Erinus alpinus
• Flourensia riparia
• Fritillaria taipaiensis
• Geraea canescens
• Geranium macrorrhizum
• Gypothamnium pinifolium
• Hypolaena fastigiata
• Lasthenia glabrata
• Ligularia veitchiana
• Maclura pomifera
• Meryta denhamii
• Mimosa invisa
• Morinda citrifolia
• Pedicularis densispica
• Penianthus zenkeri
• Plumbago indica
• Ruscus aculeatus
• Senecio macrophyllus
• Solanum chacoense
• Stenostomum acutatum
• Timonius eximius

Cross-Links

• PubChem: 104654
• NPASS: NPC135781
• LOTUS: LTS0236643
• wikiData: Q105277222