5-Hydroxy-7-methoxyisoflavone

Details

• Internal ID: fc318ba5-459a-4d57-b065-a0cfaf46b478
• Taxonomy: Phenylpropanoids and polyketides > Isoflavonoids > O-methylated isoflavonoids > 7-O-methylated isoflavonoids > 7-O-methylisoflavones
• IUPAC Name: 5-hydroxy-7-methoxy-3-phenylchromen-4-one
• InChI: InChI=1S/C16H12O4/c1-19-11-7-13(17)15-14(8-11)20-9-12(16(15)18)10-5-3-2-4-6-10/h2-9,17H,1H3
• InChI Key: OENYLOITAIRUMV-UHFFFAOYSA-N
• Popularity: 7 references in papers

Physical and Chemical Properties

• Molecular Formula: C₁₆H₁₂O₄
• Molecular Weight: 268.26 g/mol
• Exact Mass: 268.07355886 g/mol
• Topological Polar Surface Area (TPSA): 55.80 Ų
• XlogP: 3.30

Synonyms

• 19725-43-0
• SCHEMBL6142401
• CHEMBL3039045
• CCG-39771
• LMPK12050158

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	98.25%	91.11%
CHEMBL2581	P07339	Cathepsin D	97.09%	98.95%
CHEMBL3108638	O15164	Transcription intermediary factor 1-alpha	96.78%	95.56%
CHEMBL1860	P10827	Thyroid hormone receptor alpha	94.03%	99.15%
CHEMBL1293249	Q13887	Kruppel-like factor 5	93.72%	86.33%
CHEMBL4261	Q16665	Hypoxia-inducible factor 1 alpha	90.66%	85.14%
CHEMBL2635	P51452	Dual specificity protein phosphatase 3	88.83%	94.00%
CHEMBL3038477	P67870	Casein kinase II alpha/beta	87.39%	99.23%
CHEMBL3060	Q9Y345	Glycine transporter 2	87.00%	99.17%
CHEMBL1806	P11388	DNA topoisomerase II alpha	86.59%	89.00%
CHEMBL3192	Q9BY41	Histone deacetylase 8	84.26%	93.99%
CHEMBL3091268	Q92753	Nuclear receptor ROR-beta	84.16%	95.50%

Plants that contains it

There are no matching plants.

Cross-Links

• PubChem: 16725071
• LOTUS: LTS0203848
• wikiData: Q105190420