3-Hydroxy-1-(4-methoxy-1-benzofuran-5-yl)-3-phenylprop-2-en-1-one

Details

• Internal ID: 8412cfc3-f1b3-4df1-92e6-315e74958f7f
• Taxonomy: Phenylpropanoids and polyketides > Linear 1,3-diarylpropanoids > Chalcones and dihydrochalcones > Furanochalcones
• IUPAC Name: 3-hydroxy-1-(4-methoxy-1-benzofuran-5-yl)-3-phenylprop-2-en-1-one
• SMILES (Canonical): COC1=C(C=CC2=C1C=CO2)C(=O)C=C(C3=CC=CC=C3)O
• SMILES (Isomeric): COC1=C(C=CC2=C1C=CO2)C(=O)C=C(C3=CC=CC=C3)O
• InChI: InChI=1S/C18H14O4/c1-21-18-13(7-8-17-14(18)9-10-22-17)16(20)11-15(19)12-5-3-2-4-6-12/h2-11,19H,1H3
• InChI Key: IHWPQGIYXJKCOV-UHFFFAOYSA-N
• Popularity: 0 references in papers

Physical and Chemical Properties

• Molecular Formula: C₁₈H₁₄O₄
• Molecular Weight: 294.30 g/mol
• Exact Mass: 294.08920892 g/mol
• Topological Polar Surface Area (TPSA): 59.70 Ų
• XlogP: 4.10

Synonyms

• 3-Hydroxy-1-(4-methoxy-1-benzofuran-5-yl)-3-phenylprop-2-en-1-one
• DTXSID90649548

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
CHEMBL3108638	O15164	Transcription intermediary factor 1-alpha	94.13%	95.56%
CHEMBL5619	P27695	DNA-(apurinic or apyrimidinic site) lyase	93.63%	91.11%
CHEMBL3038477	P67870	Casein kinase II alpha/beta	91.83%	99.23%
CHEMBL2535	P11166	Glucose transporter	90.36%	98.75%
CHEMBL1293249	Q13887	Kruppel-like factor 5	89.79%	86.33%
CHEMBL3060	Q9Y345	Glycine transporter 2	86.17%	99.17%
CHEMBL3091268	Q92753	Nuclear receptor ROR-beta	84.30%	95.50%
CHEMBL2581	P07339	Cathepsin D	84.08%	98.95%
CHEMBL1075094	Q16236	Nuclear factor erythroid 2-related factor 2	80.31%	96.00%

Plants that contains it

• Millettia sanagana
• Pongamia pinnata
• Tephrosia purpurea

Cross-Links

• PubChem: 25272436
• LOTUS: LTS0263252
• wikiData: Q82562432