Phloretin
precursor
Showing entry for Phloretin
Identification
- PhytoHub ID
- PHUB001344
- Name
- Phloretin
- Systematic Name
- Not Available
- Synonyms
- 2,6-dihydroxy-4-methoxyacetophenone
- 4-O-methylphloracetophenone
- 4,2',4',6'-tetrahydroxydihydrochalcone
- dihydronaringenin
- phloretol
- CAS Number
- 60-82-2
- Average Mass
- 274.272
- Monoisotopic Mass
- 274.084123551
- Chemical Formula
- C15H14O5
- IUPAC Name
- 3-(4-hydroxyphenyl)-1-(2,4,6-trihydroxyphenyl)propan-1-one
- InChI Key
- VGEREEWJJVICBM-UHFFFAOYSA-N
- InChI Identifier
InChI=1S/C15H14O5/c16-10-4-1-9(2-5-10)3-6-12(18)15-13(19)7-11(17)8-14(15)20/h1-2,4-5,7-8,16-17,19-20H,3,6H2
- SMILES
OC1=CC=C(CCC(=O)C2=C(O)C=C(O)C=C2O)C=C1
- Structure
Structure for Phloretin
Calculated Properties
- Solubility (ALOGPS)
- 1.32e-01 g/l
- LogS (ALOGPS)
- -3.32
- LogP (ALOGPS)
- 2.23
- Hydrogen Acceptors
- 5
- Hydrogen Donors
- 4
- Rotatable Bond Count
- 4
- Polar Surface Area
- 97.99000000000001
- Refractivity
- 73.7073
- Polarizability
- 27.83486247969684
- Formal Charge
- 0
- Physiological Charge
- 0
- pKa (strongest basic)
- -4.608418822447718
- pKa (strongest acidic)
- 7.958485348511623
- Number of Rings
- 2
- Rule of Five
- Yes
- Bioavailability
- Yes
- Ghose Filter
- Yes
- Veber's Rule
- No
- MDDR-like Rule
- No
External Links
- ChEBI
- 17276
- PubChem
- 4788
- Chemistry Dashboard
- DTXSID6022393
- KNApSAcK
- C00007936
- MetaboLights
- MTBLC17276
- Phenol-Explorer
- 108
- PeakForestCompound
- 000816
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 |
| Apple dihydrochalcones | Polyphenols | Flavonoids | Dihydrochalcones | Show Food Phytochemical |
| Phloretin | Polyphenols | Flavonoids | Dihydrochalcones | Show Food Phytochemical |
Classyfire Taxonomy
- Kingdom Name
- Organic compounds
- Class
- Linear 1,3-diarylpropanoids
- Super-class
- Phenylpropanoids and polyketides
- Sub-class
- Chalcones and dihydrochalcones
- Direct Parent Name
- 2'-Hydroxy-dihydrochalcones
- Alternative Parent Names
- ["1-hydroxy-2-unsubstituted benzenoids", "1-hydroxy-4-unsubstituted benzenoids", "Acylphloroglucinols and derivatives", "Alkyl-phenylketones", "Aryl alkyl ketones", "Benzoyl derivatives", "Butyrophenones", "Cinnamylphenols", "Hydrocarbon derivatives", "Organic oxides", "Polyols", "Vinylogous acids"]
- External Descriptor Annotations
- ["Chalcones and dihydrochalcones", "a small molecule", "dihydrochalcones"]
- Substituent Names
- ["1-hydroxy-2-unsubstituted benzenoid", "1-hydroxy-4-unsubstituted benzenoid", "2'-hydroxy-dihydrochalcone", "Acylphloroglucinol derivative", "Alkyl-phenylketone", "Aromatic homomonocyclic compound", "Aryl alkyl ketone", "Aryl ketone", "Benzenetriol", "Benzenoid", "Benzoyl", "Butyrophenone", "Cinnamylphenol", "Hydrocarbon derivative", "Ketone", "Monocyclic benzene moiety", "Organic oxide", "Organic oxygen compound", "Organooxygen compound", "Phenol", "Phenylketone", "Phloroglucinol derivative", "Polyol", "Vinylogous acid"]
Spectra from Phytohub
Food Sources
Food Sources of its Food Phytochemical(s)
Role as Biomarker of intake
No roles as Biomarker of intake found