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Flavonoids

Nobiletin

川陈皮素

PHY-NP-17430 · Natural product research catalog

Catalog numberPHY-NP-17430
CAS number478-01-3
Molecular formulaC21H22O8
Molecular weight402.399 g/mol
Chemical classFlavonoids
Main reported sourceCitrus reticulata
Purity / assayMin. 98%
Other purity specifications available on inquiry.

Chemical structure

Chemical structure of Nobiletin

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Product information

Nobiletin 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 name2-(3,4-dimethoxyphenyl)-5,6,7,8-tetramethoxychromen-4-one
SMILESCOC1=C(C=C(C=C1)C2=CC(=O)C3=C(O2)C(=C(C(=C3OC)OC)OC)OC)OC
InChIKeyMRIAQLRQZPPODS-UHFFFAOYSA-N
Subclass / scaffoldFlavones
PubChem CID72344

Computed properties

Exact mass (Da)402.1315Predicted LogP3.5116
Predicted TPSA (Ų)85.59H-bond donors0
H-bond acceptors8Rotatable bonds7

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

View additional properties & classification
Ring count3
Aromatic rings3
Fraction Csp³0.286
Synthetic accessibility score2.45
QED score0.594
Lipinski rule violations0
NPClassifier pathwayShikimates and Phenylpropanoids
NPClassifier superclassFlavonoids
NPClassifier classFlavones
Parent SMILESCOc1ccc(-c2cc(=O)c3c(OC)c(OC)c(OC)c(OC)c3o2)cc1OC
Parent formulaC21H22O8
Parent molecular weight402.399
Specified stereocenters0
Unspecified stereocenters0

Reported natural occurrence

Main reported sourceCitrus reticulata
Reported source familiesRutaceae; Asteraceae; Euphorbiaceae

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

View occurrence records & references
LOTUS / Wikidata speciesCitrus reticulata[19]; Citrus × deliciosa[19]; Citrus japonica[5]; Citrus unshiu[5]; Cherry Orange[4]; Citrus × paradisi[4]; Citrus depressa[3]; Ageratum conyzoides[2]; Citrus erythrosa[2]; Citrus hassaku[2]; Citrus leiocarpa[2]; Citrus tachibana[2]; Citrus tankan[2]; Ozothamnus lycopodioides[2]; citron[2]
All reported source familiesRutaceae[35]; Asteraceae[5]; Euphorbiaceae[2]; Rosaceae[2]; Solanaceae[1]; Juncaceae[1]
Genus / family recordscumquat[5]; Citrus[4]
LOTUS species records49
LOTUS reference records44
COCONUT occurrence recordsAceriphyllum rossii; Ageratum Conyzoides; Ageratum conyzoides; Agnorhiza bolanderi; Alligator mississippiensis; Anaxagorea clavata; Araujia sericifera; Aria pallescens; Arnica nevadensis; Artemisia monogyna; Artocarpus altilis; Barbados nut; Bassia butyracea; Beyeria brevifolia; Blumea fistulosa; Blumea glomerata; Bursaria spinosa; Capsicum annuum; Cherry Orange; Chloranthus tianmushanensis; Chromolaena odorata; Chromolaena pulchella; Citrus; Citrus aurantium; Citrus Aurantium; Citrus Reticulata; Citrus Sinensis; Citrus aurea; Citrus depressa
COCONUT organism records136
COCONUT identifierCNP0209864.0

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.