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Flavonoids

5,7,4'-Trimethoxyflavone

4',5,7-三甲氧基黄酮

PHY-NP-17142 · Natural product research catalog

Catalog numberPHY-NP-17142
CAS number5631-70-9
Molecular formulaC18H16O5
Molecular weight312.321 g/mol
Chemical classFlavonoids
Main reported sourceKaempferia parviflora
Purity / assayMin. 98%
Other purity specifications available on inquiry.

Chemical structure

Chemical structure of 5,7,4'-Trimethoxyflavone

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100 mgRequest quoteTo be confirmedConfirm in quotation

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Product information

5,7,4'-Trimethoxyflavone is listed in the Flavonoids section of the Phytide Bio research catalog. Standard pack sizes are 5, 10, 20, 50 and 100 mg.

For research use only. Not for human or veterinary use, diagnosis or treatment.

Names & identifiers

IUPAC name5,7-dimethoxy-2-(4-methoxyphenyl)chromen-4-one
SMILESCOC1=CC=C(C=C1)C2=CC(=O)C3=C(O2)C=C(C=C3OC)OC
InChIKeyZXJJBDHPUHUUHD-UHFFFAOYSA-N
Subclass / scaffoldFlavones
PubChem CID79730

Computed properties

Exact mass (Da)312.0998Predicted LogP3.4858
Predicted TPSA (Ų)57.9H-bond donors0
H-bond acceptors5Rotatable bonds4

Calculated values from the supplied dataset; not measured batch specifications.

View additional properties & classification
Ring count3
Aromatic rings3
Fraction Csp³0.167
Synthetic accessibility score2.02
QED score0.738
Lipinski rule violations0
NPClassifier pathwayShikimates and Phenylpropanoids
NPClassifier superclassFlavonoids
NPClassifier classFlavones
Parent SMILESCOc1ccc(-c2cc(=O)c3c(OC)cc(OC)cc3o2)cc1
Parent formulaC18H16O5
Parent molecular weight312.321
Specified stereocenters0
Unspecified stereocenters0

Reported natural occurrence

Main reported sourceKaempferia parviflora
Reported source familiesRutaceae; Zingiberaceae; Lamiaceae

Reported natural occurrence does not establish the manufacturing origin of the supplied material.

View occurrence records & references
LOTUS / Wikidata speciesKaempferia parviflora[5]; Boesenbergia rotunda[2]; Citrus reticulata[2]; Citrus × deliciosa[2]; citron[2]; Cherry Orange[1]; Citrus grandis[1]; Citrus hassaku[1]; Citrus intermedia[1]; Citrus japonica[1]; Citrus myrtifolia[1]; Citrus nippokoreana[1]; Citrus otachibana[1]; Citrus tachibana[1]; Citrus unshiu[1]
All reported source familiesRutaceae[16]; Zingiberaceae[3]; Lamiaceae[2]; Piperaceae[2]; Cardiopteridaceae[1]; Streptomycetaceae[1]
Genus / family recordscumquat[1]
LOTUS species records25
LOTUS reference records17
COCONUT occurrence recordsAceriphyllum rossii; Aconitum variegatum; Agnorhiza bolanderi; Alligator mississippiensis; Amorphophallus konjac; Anaxagorea clavata; Aniba santalodora; Araujia sericifera; Aria pallescens; Arnica nevadensis; Artemisia monogyna; Astragalus circassicus; Axinyssa variabilis; Bassia butyracea; Beilschmiedia madang; Bethencourtia palmensis; Beyeria brevifolia; Boesenbergia pandurata; Boesenbergia rotunda; Boswellia ovalifoliolata; Bursaria spinosa; Calophyllum inophyllum; Campanula choziatowskyi; Centaurea scoparia; Centaurea sonchifolia; Cheilanthes fragrans; Cherry Orange; Chloranthus tianmushanensis; Chlorociboria aeruginascens; Chromolaena odorata
COCONUT organism records161
COCONUT identifierCNP0161928.0

Records are inherited from the supplied dataset and are not independently verified. Taxonomic names may include synonyms.

Documents & specifications

Certificate of analysis (COA)Batch-specific COA available on request; no PDF published yet
Safety data sheet (SDS)Not yet published
Storage / solubilityProduct-specific conditions to be confirmed
ShippingConfirmed with the quotation

Request applicable documentation and handling information before ordering or use.