1-(4'-hydroxy-3',5'-dimethoxy-phenyl)-1,8-dimethoxynaphthalen-2(1H)-one

Details

• Internal ID: 30d12ecd-b3bf-43e3-b770-6a5047465dcd
• Taxonomy: Benzenoids > Naphthalenes
• IUPAC Name: 1-(4-hydroxy-3,5-dimethoxyphenyl)-1,8-dimethoxynaphthalen-2-one
• InChI: InChI=1S/C20H20O6/c1-23-14-7-5-6-12-8-9-17(21)20(26-4,18(12)14)13-10-15(24-2)19(22)16(11-13)25-3/h5-11,22H,1-4H3
• InChI Key: VSXVGIMVWUCNLL-UHFFFAOYSA-N
• Popularity: 3 references in papers

Physical and Chemical Properties

• Molecular Formula: C₂₀H₂₀O₆
• Molecular Weight: 356.40 g/mol
• Exact Mass: 356.12598835 g/mol
• Topological Polar Surface Area (TPSA): 74.20 Ų
• XlogP: 2.90

Synonyms

• RefChem:907307
• 1-(4'-hydroxy-3',5'-dimethoxyphenyl)-1,8-dimethoxynaphthalen-2(1H)-one

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	97.38%	91.11%
CHEMBL3108638	O15164	Transcription intermediary factor 1-alpha	96.49%	95.56%
CHEMBL3251	P19838	Nuclear factor NF-kappa-B p105 subunit	94.52%	96.09%
CHEMBL1293249	Q13887	Kruppel-like factor 5	93.39%	86.33%
CHEMBL2581	P07339	Cathepsin D	92.33%	98.95%
CHEMBL1255126	O15151	Protein Mdm4	90.48%	90.20%
CHEMBL2535	P11166	Glucose transporter	89.42%	98.75%
CHEMBL4261	Q16665	Hypoxia-inducible factor 1 alpha	88.40%	85.14%
CHEMBL2635	P51452	Dual specificity protein phosphatase 3	88.32%	94.00%
CHEMBL1075094	Q16236	Nuclear factor erythroid 2-related factor 2	84.36%	96.00%
CHEMBL1860	P10827	Thyroid hormone receptor alpha	82.04%	99.15%
CHEMBL4203	Q9HAZ1	Dual specificity protein kinase CLK4	81.75%	94.45%
CHEMBL1907	P15144	Aminopeptidase N	81.16%	93.31%

Plants that contains it

There are no matching plants.

Cross-Links

• PubChem: 129834653
• LOTUS: LTS0033251
• wikiData: Q77505414