7-Methoxyflavonol

Details

• Internal ID: f2897479-3aac-45f4-9e68-a6d72b9835c6
• Taxonomy: Phenylpropanoids and polyketides > Flavonoids > Flavones > Flavonols
• IUPAC Name: 3-hydroxy-7-methoxy-2-phenylchromen-4-one
• SMILES (Canonical): COC1=CC2=C(C=C1)C(=O)C(=C(O2)C3=CC=CC=C3)O
• SMILES (Isomeric): COC1=CC2=C(C=C1)C(=O)C(=C(O2)C3=CC=CC=C3)O
• InChI: InChI=1S/C16H12O4/c1-19-11-7-8-12-13(9-11)20-16(15(18)14(12)17)10-5-3-2-4-6-10/h2-9,18H,1H3
• InChI Key: IPRIGHIBTRMTDP-UHFFFAOYSA-N
• Popularity: 15 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: 3.40

Synonyms

• 3-Hydroxy-7-methoxyflavone
• 3-Hydroxy-7-methoxy-2-phenyl-4H-chromen-4-one
• Flavone, 3-hydroxy-7-methoxy-
• 0ZT4X5SA77
• UNII-0ZT4X5SA77
• NSC 401510
• NSC-401510
• 3-HYDROXY-7-METHOXY-2-PHENYL-4H-1-BENZOPYRAN-4-ONE
• DTXSID90225760
• RefChem:106308
• DTXCID20148251
• IPRIGHIBTRMTDP-UHFFFAOYSA-N
• 7478-60-6
• 3-hydroxy-7-methoxy-2-phenylchromen-4-one
• 4H-1-Benzopyran-4-one,3-hydroxy-7-methoxy-2-phenyl-
• 4H-1-Benzopyran-4-one, 3-hydroxy-7-methoxy-2-phenyl-
• NSC401510
• MFCD00017640
• 3-hydroxy-7-methoxy-2-phenyl-chromen-4-one
• Oprea1_220260
• Oprea1_593689
• CHEMBL483836
• MEGxp0_001708
• orb1683326
• SCHEMBL4650060
• ACon1_002420
• CHEBI:190987
• HY-N9241
• AKOS000600302
• FM67881
• NCGC00169865-01
• PD210359
• ST086116
• DB-055910
• CS-0159052
• NS00116172
• H36311
• 3-Hydroxy-7-methoxy-2-phenyl-4H-chromen-4-one #
• Q63408918
• 3-Hydroxy-7-methoxy-2-phenyl-4H-1-benzopyran-4-one; 3-Hydroxy-7-methoxyflavone

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	99.62%	91.11%
CHEMBL3108638	O15164	Transcription intermediary factor 1-alpha	97.10%	95.56%
CHEMBL1951	P21397	Monoamine oxidase A	95.02%	91.49%
CHEMBL2581	P07339	Cathepsin D	94.97%	98.95%
CHEMBL2635	P51452	Dual specificity protein phosphatase 3	92.84%	94.00%
CHEMBL1860	P10827	Thyroid hormone receptor alpha	91.90%	99.15%
CHEMBL1293249	Q13887	Kruppel-like factor 5	91.84%	86.33%
CHEMBL3038477	P67870	Casein kinase II alpha/beta	90.49%	99.23%
CHEMBL3091268	Q92753	Nuclear receptor ROR-beta	89.87%	95.50%
CHEMBL1907	P15144	Aminopeptidase N	89.72%	93.31%
CHEMBL1806	P11388	DNA topoisomerase II alpha	88.92%	89.00%
CHEMBL2095172	P14867	GABA-A receptor; alpha-1/beta-2/gamma-2	86.52%	92.67%
CHEMBL3192	Q9BY41	Histone deacetylase 8	85.49%	93.99%
CHEMBL3060	Q9Y345	Glycine transporter 2	83.67%	99.17%
CHEMBL4261	Q16665	Hypoxia-inducible factor 1 alpha	82.54%	85.14%
CHEMBL3401	O75469	Pregnane X receptor	80.41%	94.73%

Plants that contains it

• Pinus sibirica

Cross-Links

• PubChem: 344546
• LOTUS: LTS0102593
• wikiData: Q63408918