5,6,7,8-Tetrahydroxy-3-methoxyflavone

Details

• Internal ID: be035d38-ec94-4f77-9b1b-d301ed15f722
• Taxonomy: Phenylpropanoids and polyketides > Flavonoids > O-methylated flavonoids > 3-O-methylated flavonoids
• IUPAC Name: 5,6,7,8-tetrahydroxy-3-methoxy-2-phenylchromen-4-one
• InChI: InChI=1S/C16H12O7/c1-22-16-10(18)8-9(17)11(19)12(20)13(21)15(8)23-14(16)7-5-3-2-4-6-7/h2-6,17,19-21H,1H3
• InChI Key: PUAVZLQKDBTYAS-UHFFFAOYSA-N
• Popularity: 9 references in papers

Physical and Chemical Properties

• Molecular Formula: C₁₆H₁₂O₇
• Molecular Weight: 316.26 g/mol
• Exact Mass: 316.05830272 g/mol
• Topological Polar Surface Area (TPSA): 116.00 Ų
• XlogP: 2.50

Synonyms

• 5,6,7,8-tetrahydroxy-3-methoxy-2-phenylchromen-4-one
• RefChem:101108
• 5,6,7,8-THMF
• 71785-06-3
• SCHEMBL4299053

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	98.52%	91.11%
CHEMBL2581	P07339	Cathepsin D	96.02%	98.95%
CHEMBL3108638	O15164	Transcription intermediary factor 1-alpha	93.75%	95.56%
CHEMBL1293249	Q13887	Kruppel-like factor 5	92.76%	86.33%
CHEMBL2635	P51452	Dual specificity protein phosphatase 3	91.21%	94.00%
CHEMBL3091268	Q92753	Nuclear receptor ROR-beta	90.91%	95.50%
CHEMBL3038477	P67870	Casein kinase II alpha/beta	84.98%	99.23%
CHEMBL3959	P16083	Quinone reductase 2	84.00%	89.49%
CHEMBL1806	P11388	DNA topoisomerase II alpha	81.63%	89.00%
CHEMBL3060	Q9Y345	Glycine transporter 2	81.56%	99.17%

Plants that contains it

There are no matching plants.

Cross-Links

• PubChem: 21579195
• LOTUS: LTS0045884
• wikiData: Q105215001