Phloridzin
precursor
Showing entry for Phloridzin
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
- 1-(2,4-dihydroxy-6-{[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}phenyl)-3-(4-hydroxyphenyl)propan-1-one
- InChI Key
- IOUVKUPGCMBWBT-QNDFHXLGSA-N
- InChI Identifier
InChI=1S/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-/m1/s1
- SMILES
OC[C@H]1O[C@@H](OC2=CC(O)=CC(O)=C2C(=O)CCC2=CC=C(O)C=C2)[C@H](O)[C@@H](O)[C@@H]1O
- Structure
Structure for Phloridzin
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
External Links
- ChEBI
- 8113
- PubChem
- 6072
- Chemistry Dashboard
- DTXSID3075339
- MetaboLights
- MTBLC8113
Taxonomy as Food Phytochemical
- Family
- Polyphenols
- Class
- Flavonoids
- Sub-class
- Dihydrochalcones
Taxonomy as Metabolite
- Metabolite Family
- (Poly)phenol metabolites
- Metabolite Class
- Flavonoid metabolites
- Metabolite Sub-class
- Dihydrochalcones metabolites
Taxonomy of its Food Phytochemical Precursor(s)
| Food Phytochemical | Family | Class | Sub-class | |
|---|---|---|---|---|
| Phloridzin | Polyphenols | Flavonoids | Dihydrochalcones | Show Food Phytochemical |
Spectra from Phytohub
Food Sources
Food Sources of its Food Phytochemical(s)
Role as Biomarker of intake
No roles as Biomarker of intake found