1-(2,4-Dihydroxyphenyl)-2-(2-hydroxy-4-methoxyphenyl)ethane-1,2-dione

Details

• Internal ID: cb737132-a778-44b0-b7d9-02ee46bab2a6
• Taxonomy: Phenylpropanoids and polyketides > Stilbenes
• IUPAC Name: 1-(2,4-dihydroxyphenyl)-2-(2-hydroxy-4-methoxyphenyl)ethane-1,2-dione
• InChI: InChI=1S/C15H12O6/c1-21-9-3-5-11(13(18)7-9)15(20)14(19)10-4-2-8(16)6-12(10)17/h2-7,16-18H,1H3
• InChI Key: KTPAXKNOIBKDFX-UHFFFAOYSA-N
• Popularity: 4 references in papers

Physical and Chemical Properties

• Molecular Formula: C₁₅H₁₂O₆
• Molecular Weight: 288.25 g/mol
• Exact Mass: 288.06338810 g/mol
• Topological Polar Surface Area (TPSA): 104.00 Ų
• XlogP: 2.90

Synonyms

• DTXSID50759112
• 2,4,2'-trihydroxy-4'-methoxybenzil
• 1-(2,4-Dihydroxyphenyl)-2-(2-hydroxy-4-methoxyphenyl)ethane-1,2-dione

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	96.50%	91.11%
CHEMBL3251	P19838	Nuclear factor NF-kappa-B p105 subunit	94.57%	96.09%
CHEMBL4208	P20618	Proteasome component C5	93.72%	90.00%
CHEMBL3108638	O15164	Transcription intermediary factor 1-alpha	91.83%	95.56%
CHEMBL1860	P10827	Thyroid hormone receptor alpha	90.11%	99.15%
CHEMBL2535	P11166	Glucose transporter	89.52%	98.75%
CHEMBL2581	P07339	Cathepsin D	87.86%	98.95%
CHEMBL3060	Q9Y345	Glycine transporter 2	87.08%	99.17%
CHEMBL2635	P51452	Dual specificity protein phosphatase 3	85.52%	94.00%
CHEMBL1929	P47989	Xanthine dehydrogenase	83.64%	96.12%
CHEMBL1293249	Q13887	Kruppel-like factor 5	83.50%	86.33%
CHEMBL2007	P16234	Platelet-derived growth factor receptor alpha	83.29%	91.07%
CHEMBL4203	Q9HAZ1	Dual specificity protein kinase CLK4	82.02%	94.45%

Plants that contains it

• Zollernia paraensis

Cross-Links

• PubChem: 71330404
• LOTUS: LTS0079502
• wikiData: Q82712963