2-(3-Hydroxy-5-methoxyphenyl)-5-methoxy-1-benzofuran-6-ol

Details

• Internal ID: d917690e-af0a-4de1-8e72-6aae62e67c0d
• Taxonomy: Phenylpropanoids and polyketides > 2-arylbenzofuran flavonoids
• IUPAC Name: 2-(3-hydroxy-5-methoxyphenyl)-5-methoxy-1-benzofuran-6-ol
• InChI: InChI=1S/C16H14O5/c1-19-12-4-9(3-11(17)7-12)14-5-10-6-16(20-2)13(18)8-15(10)21-14/h3-8,17-18H,1-2H3
• InChI Key: QIYILGCEGVEZQL-UHFFFAOYSA-N
• Popularity: 3 references in papers

Physical and Chemical Properties

• Molecular Formula: C₁₆H₁₄O₅
• Molecular Weight: 286.28 g/mol
• Exact Mass: 286.08412354 g/mol
• Topological Polar Surface Area (TPSA): 72.10 Ų
• XlogP: 3.20

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
CHEMBL5619	P27695	DNA-(apurinic or apyrimidinic site) lyase	97.61%	91.11%
CHEMBL4261	Q16665	Hypoxia-inducible factor 1 alpha	97.13%	85.14%
CHEMBL2635	P51452	Dual specificity protein phosphatase 3	95.61%	94.00%
CHEMBL1860	P10827	Thyroid hormone receptor alpha	93.27%	99.15%
CHEMBL3060	Q9Y345	Glycine transporter 2	87.63%	99.17%
CHEMBL1293249	Q13887	Kruppel-like factor 5	86.51%	86.33%
CHEMBL4208	P20618	Proteasome component C5	85.41%	90.00%
CHEMBL2581	P07339	Cathepsin D	84.78%	98.95%
CHEMBL3108638	O15164	Transcription intermediary factor 1-alpha	84.66%	95.56%
CHEMBL3194	P02766	Transthyretin	81.06%	90.71%
CHEMBL3251	P19838	Nuclear factor NF-kappa-B p105 subunit	80.25%	96.09%

Plants that contains it

• Erythrina latissima

Cross-Links

• PubChem: 91598954
• LOTUS: LTS0070161
• wikiData: Q105222476