3,4'-Dihydroxy-7,8-dimethoxyflavone

Details

• Internal ID: e7e0b1c4-4d98-4b5d-801e-5c0caab6c061
• Taxonomy: Phenylpropanoids and polyketides > Flavonoids > Flavones > Flavonols
• IUPAC Name: 3-hydroxy-2-(4-hydroxyphenyl)-7,8-dimethoxychromen-4-one
• InChI: InChI=1S/C17H14O6/c1-21-12-8-7-11-13(19)14(20)15(23-16(11)17(12)22-2)9-3-5-10(18)6-4-9/h3-8,18,20H,1-2H3
• InChI Key: BXOSIXISUBMZJP-UHFFFAOYSA-N
• Popularity: 2 references in papers

Physical and Chemical Properties

• Molecular Formula: C₁₇H₁₄O₆
• Molecular Weight: 314.29 g/mol
• Exact Mass: 314.07903816 g/mol
• Topological Polar Surface Area (TPSA): 85.20 Ų
• XlogP: 2.60

Synonyms

• RefChem:90852
• 3-hydroxy-2-(4-hydroxyphenyl)-7,8-dimethoxychromen-4-one
• 57499-07-7
• LMPK12111603

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	97.05%	91.11%
CHEMBL2635	P51452	Dual specificity protein phosphatase 3	95.14%	94.00%
CHEMBL1806	P11388	DNA topoisomerase II alpha	91.98%	89.00%
CHEMBL3108638	O15164	Transcription intermediary factor 1-alpha	90.99%	95.56%
CHEMBL4203	Q9HAZ1	Dual specificity protein kinase CLK4	90.83%	94.45%
CHEMBL242	Q92731	Estrogen receptor beta	89.52%	98.35%
CHEMBL1293249	Q13887	Kruppel-like factor 5	89.42%	86.33%
CHEMBL3038477	P67870	Casein kinase II alpha/beta	88.97%	99.23%
CHEMBL2581	P07339	Cathepsin D	88.92%	98.95%
CHEMBL1255126	O15151	Protein Mdm4	87.54%	90.20%
CHEMBL3060	Q9Y345	Glycine transporter 2	83.64%	99.17%
CHEMBL1860	P10827	Thyroid hormone receptor alpha	81.32%	99.15%
CHEMBL3091268	Q92753	Nuclear receptor ROR-beta	80.39%	95.50%

Plants that contains it

• Senegalia galpinii

Cross-Links

• PubChem: 44258701
• LOTUS: LTS0121625
• wikiData: Q105120430