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Chalcones

Phloridzin

根皮苷

PHY-NP-06623 · Natural product research catalog

Catalog numberPHY-NP-06623
CAS number60-81-1
Molecular formulaC21H24O10
Molecular weight436.413 g/mol
Chemical classChalcones
Main reported sourceMalus domestica
Purity / assayMin. 98%
Other purity specifications available on inquiry.

Chemical structure

Chemical structure of Phloridzin

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Product information

Phloridzin is listed in the Chalcones 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 name1-[2,4-dihydroxy-6-[(2S,4R,5S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]-3-(4-hydroxyphenyl)propan-1-one
SMILESC1=CC(=CC=C1CCC(=O)C2=C(C=C(C=C2O[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)O)O)O)O)O
InChIKeyIOUVKUPGCMBWBT-QNDFHXLGSA-N
Subclass / scaffoldChalcones
PubChem CID45933907

Computed properties

Exact mass (Da)436.1369Predicted LogP-0.2024
Predicted TPSA (Ų)177.14H-bond donors7
H-bond acceptors10Rotatable bonds7

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

View additional properties & classification
Ring count3
Aromatic rings2
Fraction Csp³0.381
Synthetic accessibility score3.78
QED score0.288
Lipinski rule violations1
NPClassifier pathwayShikimates and Phenylpropanoids
NPClassifier superclassFlavonoids
NPClassifier classChalcones
Parent SMILESO=C(CCc1ccc(O)cc1)c1c(O)cc(O)cc1O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O
Parent formulaC21H24O10
Parent molecular weight436.413
Specified stereocenters5
Unspecified stereocenters0

Reported natural occurrence

Main reported sourceMalus domestica
Reported source familiesRosaceae; Ericaceae; Fagaceae

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

View occurrence records & references
LOTUS / Wikidata speciesMalus domestica[7]; Malus pumila[7]; Cynomorium songaricum[3]; Kalmia latifolia[3]; Pieris japonica[3]; Docynia doumeri[2]; Malus doumeri[2]; pomegranate[2]; Agastache rugosa[1]; Agave salmiana[1]; Aloe barbadensis[1]; Aloe vera[1]; Cinnamomum subavenium[1]; Erythrina americana[1]; Eucalyptus globulus[1]
All reported source familiesRosaceae[6]; Ericaceae[5]; Fagaceae[3]; Asphodelaceae[2]; Verbenaceae[2]; Cynomoriaceae[1]
Genus / family recordsFragaria[1]
LOTUS species records28
LOTUS reference records33
COCONUT occurrence recordsAgastache rugosa; Agave salmiana; Alkanna cappadocica; Aloe barbadensis; Aloe hijazensis; Aloe vera; Alstonia undulifolia; Artemisia dentata; Asteriscus aquaticus; Atalantia racemosa; Balanophora involucrata; Betula platyphylla; Boehmeria tricuspis; Botryosphaeria berengeriana; Buddleja cordata; Buphane fischeri; Capparis ovata; Cassine papillosa; Centaurea malacitana; Charpentiera obovata; Cinnamomum subavenium; Clathria prolifera; Conus pulicarius; Cordeauxia edulis; Crambe tatarica; Croton montevidensis; Croton tiglium; Cynomorium songaricum; Datisca glomerata; Dioscorea olfersiana
COCONUT organism records106
COCONUT identifierCNP0290030.2
Source reference DOI(s)10.1021/ACS.JNATPROD.9B00697.S001

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

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