4',7-Dimethoxyflavanone

Details

• Internal ID: ec960c91-a5fa-466e-b346-74ec833dd970
• Taxonomy: Phenylpropanoids and polyketides > Flavonoids > O-methylated flavonoids > 7-O-methylated flavonoids
• IUPAC Name: 7-methoxy-2-(4-methoxyphenyl)-2,3-dihydrochromen-4-one
• InChI: InChI=1S/C17H16O4/c1-19-12-5-3-11(4-6-12)16-10-15(18)14-8-7-13(20-2)9-17(14)21-16/h3-9,16H,10H2,1-2H3
• InChI Key: YAEYGSBLDUIDTP-UHFFFAOYSA-N
• Popularity: 7 references in papers

Physical and Chemical Properties

• Molecular Formula: C₁₇H₁₆O₄
• Molecular Weight: 284.31 g/mol
• Exact Mass: 284.10485899 g/mol
• Topological Polar Surface Area (TPSA): 44.80 Ų
• XlogP: 2.80

Synonyms

• 4',7-Dimethoxyflavanone
• 25826-69-1
• CHEMBL229908
• 7-methoxy-2-(4-methoxyphenyl)chroman-4-one
• 4H-1-Benzopyran-4-one, 2,3-dihydro-7-methoxy-2-(4-methoxyphenyl)-
• 7-methoxy-2-(4-methoxyphenyl)-3,4-dihydro-2H-1-benzopyran-4-one
• Spectrum_001551
• SpecPlus_000343
• Spectrum2_000041
• Spectrum3_001724
• Spectrum4_001645
• Spectrum5_000489
• BSPBio_003368
• KBioGR_002109
• KBioSS_002031
• DivK1c_006439
• SPECTRUM1600561
• SPBio_000161
• SCHEMBL3303937
• SCHEMBL13394438
• CHEBI:91819
• KBio1_001383
• KBio2_002031
• KBio2_004599
• KBio2_007167
• KBio3_002588
• 7-methoxy-2-(4-methoxyphenyl)-2,3-dihydrochromen-4-one
• DTXSID101314100
• BDBM50213235
• CCG-38347
• SDCCGMLS-0066887.P001
• NCGC00095734-01
• NCGC00095734-02
• SR-05000002542
• SR-05000002542-1
• (+/-)-7-methoxy-2-(4-methoxyphenyl)chroman-4-one
• BRD-A68039575-001-02-5
• Q27163615

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	96.41%	91.11%
CHEMBL2039	P27338	Monoamine oxidase B	94.43%	92.51%
CHEMBL3251	P19838	Nuclear factor NF-kappa-B p105 subunit	94.03%	96.09%
CHEMBL3137262	O60341	LSD1/CoREST complex	93.79%	97.09%
CHEMBL3108638	O15164	Transcription intermediary factor 1-alpha	93.51%	95.56%
CHEMBL2581	P07339	Cathepsin D	91.69%	98.95%
CHEMBL1907	P15144	Aminopeptidase N	91.02%	93.31%
CHEMBL4208	P20618	Proteasome component C5	89.19%	90.00%
CHEMBL2635	P51452	Dual specificity protein phosphatase 3	87.20%	94.00%
CHEMBL1293249	Q13887	Kruppel-like factor 5	85.23%	86.33%
CHEMBL5608	Q16288	NT-3 growth factor receptor	84.38%	95.89%
CHEMBL4261	Q16665	Hypoxia-inducible factor 1 alpha	80.74%	85.14%

Plants that contains it

• Holocarpha obconica

Cross-Links

• PubChem: 5271544
• LOTUS: LTS0057291
• wikiData: Q27163615