2-Benzyl-2-hydroxybenzofuran-3(2H)-one

Details

• Internal ID: f1a5a0de-0be5-474d-9c0a-c1f8173950b4
• Taxonomy: Phenylpropanoids and polyketides > Aurone flavonoids > Auronols
• IUPAC Name: 2-benzyl-2-hydroxy-1-benzofuran-3-one
• InChI: InChI=1S/C15H12O3/c16-14-12-8-4-5-9-13(12)18-15(14,17)10-11-6-2-1-3-7-11/h1-9,17H,10H2
• InChI Key: VKYKBJAXUAMRLH-UHFFFAOYSA-N
• Popularity: 6 references in papers

Physical and Chemical Properties

• Molecular Formula: C₁₅H₁₂O₃
• Molecular Weight: 240.25 g/mol
• Exact Mass: 240.078644241 g/mol
• Topological Polar Surface Area (TPSA): 46.50 Ų
• XlogP: 2.70

Synonyms

• 2-Benzyl-2-hydroxybenzofuran-3(2H)-one
• 2-hydroxy-2-benzylcoumaranone
• 3(2H)-Benzofuranone, 2-hydroxy-2-(phenylmethyl)-
• 3(2h)-benzo[b]furanone,2-hydroxy-2-(phenylmethyl)-
• DTXSID80464429

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
CHEMBL2581	P07339	Cathepsin D	97.70%	98.95%
CHEMBL5619	P27695	DNA-(apurinic or apyrimidinic site) lyase	93.33%	91.11%
CHEMBL3108638	O15164	Transcription intermediary factor 1-alpha	91.22%	95.56%
CHEMBL1293249	Q13887	Kruppel-like factor 5	86.21%	86.33%
CHEMBL3251	P19838	Nuclear factor NF-kappa-B p105 subunit	82.83%	96.09%
CHEMBL221	P23219	Cyclooxygenase-1	80.58%	90.17%

Plants that contains it

• Flindersia brassii

Cross-Links

• PubChem: 11390808
• LOTUS: LTS0227751
• wikiData: Q82289734