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Flavonoids

Broussoflavonol B

PHY-NP-17701 · Natural product research catalog

Catalog numberPHY-NP-17701
CAS number99217-70-6
Molecular formulaC26H28O7
Molecular weight452.503 g/mol
Chemical classFlavonoids
Main reported sourceBroussonetia papyrifera
Purity / assayMin. 98%
Other purity specifications available on inquiry.

Chemical structure

Chemical structure of Broussoflavonol B

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Product information

Broussoflavonol B 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-dihydroxyphenyl)-5,7-dihydroxy-3-methoxy-6,8-bis(3-methylbut-2-enyl)chromen-4-one
SMILESCC(=CCC1=C(C(=C2C(=C1O)C(=O)C(=C(O2)C3=CC(=C(C=C3)O)O)OC)CC=C(C)C)O)C
InChIKeyWKVKAWWZXXTJEH-UHFFFAOYSA-N
Subclass / scaffoldFlavonols
PubChem CID480828

Computed properties

Exact mass (Da)452.1835Predicted LogP5.3084
Predicted TPSA (Ų)120.36H-bond donors4
H-bond acceptors7Rotatable bonds6

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

View additional properties & classification
Ring count3
Aromatic rings3
Fraction Csp³0.269
Synthetic accessibility score3.15
QED score0.295
Lipinski rule violations1
NPClassifier pathwayShikimates and Phenylpropanoids
NPClassifier superclassFlavonoids
NPClassifier classFlavonols
Parent SMILESCOc1c(-c2ccc(O)c(O)c2)oc2c(CC=C(C)C)c(O)c(CC=C(C)C)c(O)c2c1=O
Parent formulaC26H28O7
Parent molecular weight452.503
Specified stereocenters0
Unspecified stereocenters0

Reported natural occurrence

Main reported sourceBroussonetia papyrifera
Reported source familiesMoraceae

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

View occurrence records & references
LOTUS / Wikidata speciesBroussonetia papyrifera[1]
All reported source familiesMoraceae[1]
LOTUS species records1
LOTUS reference records1
COCONUT occurrence recordsBroussonetia Papyrifera; Broussonetia papyrifera
COCONUT organism records2
COCONUT identifierCNP0161720.0

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.