5,7-Dimethoxyflavanone

Details

• Internal ID: b367bc6c-e12b-4917-85b6-e0212702b8d9
• Taxonomy: Phenylpropanoids and polyketides > Flavonoids > O-methylated flavonoids > 7-O-methylated flavonoids
• IUPAC Name: 5,7-dimethoxy-2-phenyl-2,3-dihydrochromen-4-one
• SMILES (Canonical): COC1=CC2=C(C(=O)CC(O2)C3=CC=CC=C3)C(=C1)OC
• SMILES (Isomeric): COC1=CC2=C(C(=O)CC(O2)C3=CC=CC=C3)C(=C1)OC
• InChI: InChI=1S/C17H16O4/c1-19-12-8-15(20-2)17-13(18)10-14(21-16(17)9-12)11-6-4-3-5-7-11/h3-9,14H,10H2,1-2H3
• InChI Key: IAFBOKYTDSDNHV-UHFFFAOYSA-N
• Popularity: 22 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

• 1036-72-2
• 5,7-dimethoxy-2-phenylchroman-4-one
• 5,7-Dimethoxyflavanon
• Dimethylpinocembrin
• 36052-66-1
• Flavanone, 5,7-dimethoxy-
• NSC661206
• 5,7-dimethoxy-2-phenyl-2,3-dihydrochromen-4-one
• alpinetin methyl ether
• 5,7-Dimethoxy-2-phenyl-chroman-4-one
• 1277188-85-8
• 5,7-Dimethoxy-2-phenyl-2,3-dihydro-4H-chromen-4-one
• CHEMBL107131
• Pinocembrin 5,7-dimethyl ether
• 4H-1-Benzopyran-4-one, 2,3-dihydro-5,7-dimethoxy-2-phenyl-, (2S)-
• 5,7-Dimethoxyflavonone
• NSC 661206
• Spectrum_000324
• SpecPlus_000873
• 5,7-Dimethoxylflavanone
• Spectrum2_001357
• Spectrum3_000587
• Spectrum4_001873
• Spectrum5_000466
• BSPBio_002034
• KBioGR_002369
• KBioSS_000804
• DivK1c_006969
• SPBio_001573
• (2R)-2,3-Dihydro-5,7-dimethoxy-2-phenyl-4H-1-benzopyran-4-one
• MEGxp0_000558
• SCHEMBL2879027
• ACon1_001227
• KBio1_001913
• KBio2_000804
• KBio2_003372
• KBio2_005940
• KBio3_001534
• DTXSID20908493
• CHEBI:110206
• IAFBOKYTDSDNHV-UHFFFAOYSA-N
• 4H-1-Benzopyran-4-one, 2,3-dihydro-5,7-dimethoxy-2-phenyl-
• BDBM50338969
• CCG-38839
• HY-N10879
• LMPK12140217
• MFCD00143414
• FS-7880
• NSC-661206
• NCGC00142553-01
• NCGC00142553-02
• NCGC00142553-03
• NCI60_021335
• CS-0637334
• FT-0619849
• FT-0775382
• SR-05000002541
• SR-05000002541-1
• BRD-A90249268-001-03-2
• BRD-A90249268-001-04-0
• Q27189587
• 5,7-Dimethoxy-2-phenyl-2,3-dihydro-4H-chromen-4-one #
• B0005-053969
• 5,7-Dimethoxy-2-phenyl-2,3-dihydro-4H-1-benzopyran-4-one
• 5,7-dimethoxy-2-phenyl-3,4-dihydro-2H-1-benzopyran-4-one

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
CHEMBL3108638	O15164	Transcription intermediary factor 1-alpha	96.49%	95.56%
CHEMBL5619	P27695	DNA-(apurinic or apyrimidinic site) lyase	94.51%	91.11%
CHEMBL1293249	Q13887	Kruppel-like factor 5	93.16%	86.33%
CHEMBL3251	P19838	Nuclear factor NF-kappa-B p105 subunit	92.82%	96.09%
CHEMBL4261	Q16665	Hypoxia-inducible factor 1 alpha	90.69%	85.14%
CHEMBL2581	P07339	Cathepsin D	90.26%	98.95%
CHEMBL3038477	P67870	Casein kinase II alpha/beta	88.41%	99.23%
CHEMBL4478	Q00975	Voltage-gated N-type calcium channel alpha-1B subunit	85.54%	97.14%
CHEMBL4208	P20618	Proteasome component C5	84.21%	90.00%
CHEMBL2535	P11166	Glucose transporter	84.03%	98.75%
CHEMBL3137262	O60341	LSD1/CoREST complex	83.62%	97.09%
CHEMBL2635	P51452	Dual specificity protein phosphatase 3	82.65%	94.00%
CHEMBL3192	Q9BY41	Histone deacetylase 8	80.56%	93.99%
CHEMBL5608	Q16288	NT-3 growth factor receptor	80.51%	95.89%

Plants that contains it

• Alpinia pulcherrima
• Boesenbergia rotunda
• Cedrelopsis grevei
• Eucalyptus sieberi
• Kaempferia parviflora
• Leptospermum scoparium
• Piper methysticum

Cross-Links

• PubChem: 378567
• LOTUS: LTS0153602
• wikiData: Q27189587