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Flavonoids

5'-Methoxynobiletin

5'-甲氧基川陈皮素

PHY-NP-17117 · Natural product research catalog

Catalog numberPHY-NP-17117
CAS number6965-36-2
Molecular formulaC22H24O9
Molecular weight432.425 g/mol
Chemical classFlavonoids
Main reported sourceAgeratum conyzoides
Purity / assayMin. 98%
Other purity specifications available on inquiry.

Chemical structure

Chemical structure of 5'-Methoxynobiletin

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100 mgRequest quoteTo be confirmedConfirm in quotation

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Product information

5'-Methoxynobiletin 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 name5,6,7,8-tetramethoxy-2-(3,4,5-trimethoxyphenyl)chromen-4-one
SMILESCOC1=CC(=CC(=C1OC)OC)C2=CC(=O)C3=C(O2)C(=C(C(=C3OC)OC)OC)OC
InChIKeyUAELIRBOLQZEAT-UHFFFAOYSA-N
Subclass / scaffoldFlavones
PubChem CID72815

Computed properties

Exact mass (Da)432.142Predicted LogP3.5202
Predicted TPSA (Ų)94.82H-bond donors0
H-bond acceptors9Rotatable bonds8

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

View additional properties & classification
Ring count3
Aromatic rings3
Fraction Csp³0.318
Synthetic accessibility score2.58
QED score0.53
Lipinski rule violations0
NPClassifier pathwayShikimates and Phenylpropanoids
NPClassifier superclassFlavonoids
NPClassifier classFlavones
Parent SMILESCOc1cc(-c2cc(=O)c3c(OC)c(OC)c(OC)c(OC)c3o2)cc(OC)c1OC
Parent formulaC22H24O9
Parent molecular weight432.425
Specified stereocenters0
Unspecified stereocenters0

Reported natural occurrence

Main reported sourceAgeratum conyzoides
Reported source familiesAsteraceae; Rutaceae

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

View occurrence records & references
LOTUS / Wikidata speciesAgeratum conyzoides[2]; Ageratum corymbosum[1]; Blumea fistulosa[1]; Blumea glomerata[1]; Citrus hassaku[1]; Conoclinium coelestinum[1]; citron[1]
All reported source familiesAsteraceae[5]; Rutaceae[2]
LOTUS species records7
LOTUS reference records6
COCONUT occurrence recordsAgeratum Conyzoides; Ageratum conyzoides; Ageratum corymbosum; Ageratum tomentosum; Blumea fistulosa; Blumea glomerata; Citrus hassaku; Citrus medica; Conoclinium coelestinum; Conoclinium greggii; Eupatorium coelestinum; Murraya paniculata; Ozothamnus lycopodioides
COCONUT organism records13
COCONUT identifierCNP0224469.0

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.