7,4'-Dimethoxyflavone

Details

• Internal ID: c36b4192-0723-4eee-ab25-2a097e5cad94
• Taxonomy: Phenylpropanoids and polyketides > Flavonoids > O-methylated flavonoids > 7-O-methylated flavonoids
• IUPAC Name: 7-methoxy-2-(4-methoxyphenyl)chromen-4-one
• SMILES (Canonical): COC1=CC=C(C=C1)C2=CC(=O)C3=C(O2)C=C(C=C3)OC
• SMILES (Isomeric): COC1=CC=C(C=C1)C2=CC(=O)C3=C(O2)C=C(C=C3)OC
• InChI: InChI=1S/C17H14O4/c1-19-12-5-3-11(4-6-12)16-10-15(18)14-8-7-13(20-2)9-17(14)21-16/h3-10H,1-2H3
• InChI Key: LGTXUFBDCDFQIU-UHFFFAOYSA-N
• Popularity: 29 references in papers

Physical and Chemical Properties

• Molecular Formula: C₁₇H₁₄O₄
• Molecular Weight: 282.29 g/mol
• Exact Mass: 282.08920892 g/mol
• Topological Polar Surface Area (TPSA): 44.80 Ų
• XlogP: 3.90

Synonyms

• 20979-50-4
• 7-methoxy-2-(4-methoxyphenyl)chromen-4-one
• 4',7-Dimethoxyflavone
• 7-methoxy-2-(4-methoxyphenyl)-4H-chromen-4-one
• CHEMBL16442
• 4H-1-Benzopyran-4-one, 7-methoxy-2-(4-methoxyphenyl)-
• Dimethyldaidzin
• Spectrum_001784
• 7,4''-dimethoxyflavone
• Spectrum2_000057
• Spectrum3_001879
• 7-Methoxy-2-(4-methoxy-phenyl)-chromen-4-one
• Oprea1_210472
• Oprea1_683062
• 4,7-DIMETHOXYFLAVONE
• BSPBio_003358
• KBioSS_002269
• SPBio_000213
• SCHEMBL3470601
• KBio2_002268
• KBio2_004836
• KBio2_007404
• KBio3_002860
• DTXSID40332791
• LGTXUFBDCDFQIU-UHFFFAOYSA-N
• HMS1610K02
• HMS3428I06
• 7,4'-dimethoxyflavone, AldrichCPR
• BDBM50310184
• CCG-38360
• MFCD00017686
• AKOS000663257
• NCGC00178120-01
• FT-0638071
• SR-01000434442
• SR-01000434442-1
• BRD-K16115965-001-02-2
• Q63409417

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	97.09%	91.11%
CHEMBL1907	P15144	Aminopeptidase N	96.01%	93.31%
CHEMBL2635	P51452	Dual specificity protein phosphatase 3	95.54%	94.00%
CHEMBL3108638	O15164	Transcription intermediary factor 1-alpha	94.13%	95.56%
CHEMBL2581	P07339	Cathepsin D	91.32%	98.95%
CHEMBL4261	Q16665	Hypoxia-inducible factor 1 alpha	89.40%	85.14%
CHEMBL1860	P10827	Thyroid hormone receptor alpha	87.55%	99.15%
CHEMBL1293249	Q13887	Kruppel-like factor 5	87.21%	86.33%
CHEMBL4224	P49759	Dual specificty protein kinase CLK1	87.15%	85.30%
CHEMBL1293294	P51151	Ras-related protein Rab-9A	86.20%	87.67%
CHEMBL1293255	P15428	15-hydroxyprostaglandin dehydrogenase [NAD+]	86.05%	83.57%
CHEMBL1806	P11388	DNA topoisomerase II alpha	86.03%	89.00%
CHEMBL4016	P42262	Glutamate receptor ionotropic, AMPA 2	85.99%	86.92%
CHEMBL4940	P07195	L-lactate dehydrogenase B chain	84.25%	95.53%
CHEMBL3192	Q9BY41	Histone deacetylase 8	83.59%	93.99%
CHEMBL1293277	O15118	Niemann-Pick C1 protein	83.59%	81.11%
CHEMBL4203	Q9HAZ1	Dual specificity protein kinase CLK4	83.42%	94.45%
CHEMBL4393	P39900	Matrix metalloproteinase 12	80.28%	92.22%

Plants that contains it

• Gynerium sagittatum
• Iryanthera juruensis
• Trigonella foenum-graecum
• Virola flexuosa
• Virola surinamensis
• Virola venosa

Cross-Links

• PubChem: 466269
• LOTUS: LTS0094447
• wikiData: Q63409417