Identification

PhytoHub ID
PHUB001322
Name
Phloridzin
Systematic Name
Not Available
Synonyms
  • Phloretin 2'-glucoside
  • Phloretin-2'-β-D-glucopyranoside
  • Phlorizin
CAS Number
60-81-1
Average Mass
436.413
Monoisotopic Mass
436.136946973
Chemical Formula
C21H24O10
IUPAC Name
phlorizin
InChI Key
IOUVKUPGCMBWBT-ZMPNCUQONA-N
InChI Identifier
InChI=1/C21H24O10/c22-9-16-18(27)19(28)20(29)21(31-16)30-15-8-12(24)7-14(26)17(15)13(25)6-3-10-1-4-11(23)5-2-10/h1-2,4-5,7-8,16,18-24,26-29H,3,6,9H2/t16-,18-,19+,20-,21-/s2
SMILES
OC[[email protected]]1O[[email protected]@H](OC2=CC(O)=CC(O)=C2C(=O)CCC2=CC=C(O)C=C2)[[email protected]](O)[[email protected]@H](O)[[email protected]@H]1O
Structure

Calculated Properties

Solubility (ALOGPS)
1.21e+00 g/l
LogS (ALOGPS)
-2.56
LogP (ALOGPS)
0.44
Hydrogen Acceptors
10
Hydrogen Donors
7
Rotatable Bond Count
7
Polar Surface Area
177.14
Refractivity
105.85169999999997
Polarizability
42.35851023236527
Formal Charge
0
Physiological Charge
0
pKa (strongest basic)
-2.981092346304827
pKa (strongest acidic)
7.869757606252412
Number of Rings
3
Rule of Five
No
Bioavailability
Yes
Ghose Filter
Yes
Veber's Rule
No
MDDR-like Rule
Yes

Taxonomy as Precursor

Family
Polyphenols
Class
Flavonoids
Sub-class
Dihydrochalcones

Spectra

No spectra information available

Food Sources

NameGroup
AppleFruit, Pomes PublicationsShow
Apple ciderBeverages, Alcoholic PublicationsShow
Apple juiceBeverages, Non-alcoholic PublicationsShow
Apple sauceConfectioneries and desserts PublicationsShow
HazelnutNuts PublicationsShow
Pomegranate juiceBeverages, Non-alcoholic PublicationsShow
Prune JuiceBeverages, Non-alcoholic PublicationsShow
StrawberryFruit, Berries PublicationsShow

Food Sources of its Precursor(s)

No food source information available of its precursor(s)

Metabolism

PrecursorMetaboliteSpeciesBiofluidsOriginTMaxCMaxUrinary ExcretionFormulaMonoisotopic mass
Phloridzin Phloretinratplasma, urinehost metabolismNot AvailableNot AvailableNot AvailableC15H14O5274.084123551 Publications

Inter-Individual Variations Metabolism

No inter-individual variations available

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