1,2-Bis(4-hydroxy-3-methoxyphenyl)ethanone

Details

• Internal ID: b5a8c095-5832-4c80-9a73-a365f12bdc60
• Taxonomy: Phenylpropanoids and polyketides > Stilbenes
• IUPAC Name: 1,2-bis(4-hydroxy-3-methoxyphenyl)ethanone
• InChI: InChI=1S/C16H16O5/c1-20-15-8-10(3-5-12(15)17)7-14(19)11-4-6-13(18)16(9-11)21-2/h3-6,8-9,17-18H,7H2,1-2H3
• InChI Key: URFHJEVBFJOWKL-UHFFFAOYSA-N
• Popularity: 4 references in papers

Physical and Chemical Properties

• Molecular Formula: C₁₆H₁₆O₅
• Molecular Weight: 288.29 g/mol
• Exact Mass: 288.09977361 g/mol
• Topological Polar Surface Area (TPSA): 76.00 Ų
• XlogP: 2.40

Synonyms

• 5438-67-5
• NSC16724
• DTXSID80280404
• NSC-16724

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
CHEMBL3251	P19838	Nuclear factor NF-kappa-B p105 subunit	95.41%	96.09%
CHEMBL3060	Q9Y345	Glycine transporter 2	94.98%	99.17%
CHEMBL5619	P27695	DNA-(apurinic or apyrimidinic site) lyase	93.90%	91.11%
CHEMBL1255126	O15151	Protein Mdm4	93.30%	90.20%
CHEMBL1293249	Q13887	Kruppel-like factor 5	92.32%	86.33%
CHEMBL4208	P20618	Proteasome component C5	92.07%	90.00%
CHEMBL2535	P11166	Glucose transporter	91.31%	98.75%
CHEMBL3492	P49721	Proteasome Macropain subunit	86.52%	90.24%
CHEMBL2581	P07339	Cathepsin D	86.47%	98.95%
CHEMBL3091268	Q92753	Nuclear receptor ROR-beta	84.35%	95.50%
CHEMBL4793	Q86TI2	Dipeptidyl peptidase IX	83.91%	96.95%
CHEMBL3108638	O15164	Transcription intermediary factor 1-alpha	83.27%	95.56%
CHEMBL5608	Q16288	NT-3 growth factor receptor	81.56%	95.89%
CHEMBL2635	P51452	Dual specificity protein phosphatase 3	80.63%	94.00%
CHEMBL3194	P02766	Transthyretin	80.01%	90.71%

Plants that contains it

• Melicope semecarpifolia

Cross-Links

• PubChem: 226344
• LOTUS: LTS0108192
• wikiData: Q82013690