5,8,4'-Trihydroxy-3,6,7-trimethoxyflavone

Details

• Internal ID: 776d9b98-46d3-405f-9f08-bdbf4e3c6f62
• Taxonomy: Phenylpropanoids and polyketides > Flavonoids > O-methylated flavonoids > 7-O-methylated flavonoids
• IUPAC Name: 5,8-dihydroxy-2-(4-hydroxyphenyl)-3,6,7-trimethoxychromen-4-one
• InChI: InChI=1S/C18H16O8/c1-23-16-11(20)10-12(21)17(24-2)18(25-3)13(22)15(10)26-14(16)8-4-6-9(19)7-5-8/h4-7,19,21-22H,1-3H3
• InChI Key: PQOFRNYPEFLMSD-UHFFFAOYSA-N
• Popularity: 2 references in papers

Physical and Chemical Properties

• Molecular Formula: C₁₈H₁₆O₈
• Molecular Weight: 360.30 g/mol
• Exact Mass: 360.08451746 g/mol
• Topological Polar Surface Area (TPSA): 115.00 Ų
• XlogP: 2.80

Synonyms

• LMPK12113308

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	98.15%	91.11%
CHEMBL2635	P51452	Dual specificity protein phosphatase 3	94.86%	94.00%
CHEMBL4203	Q9HAZ1	Dual specificity protein kinase CLK4	93.66%	94.45%
CHEMBL2581	P07339	Cathepsin D	91.79%	98.95%
CHEMBL2345	P51812	Ribosomal protein S6 kinase alpha 3	88.96%	95.64%
CHEMBL1293249	Q13887	Kruppel-like factor 5	88.92%	86.33%
CHEMBL1806	P11388	DNA topoisomerase II alpha	88.55%	89.00%
CHEMBL3108638	O15164	Transcription intermediary factor 1-alpha	87.74%	95.56%
CHEMBL3038477	P67870	Casein kinase II alpha/beta	84.25%	99.23%
CHEMBL3401	O75469	Pregnane X receptor	80.47%	94.73%

Plants that contains it

• Balsamorhiza hookeri

Cross-Links

• PubChem: 14258997
• LOTUS: LTS0060742
• wikiData: Q105213316