Identification

PhytoHub ID
PHUB002142
Name
Naringenin-5-glucuronide
Systematic Name
Not Available
Synonyms
  • Naringenin 5-O-glucuronide
  • Naringenin-5-O-glucuronide
CAS Number
Not Available
Average Mass
448.38
Monoisotopic Mass
448.100561464
Chemical Formula
C21H20O11
IUPAC Name
3,4,5-trihydroxy-6-{[(2S)-7-hydroxy-2-(4-hydroxyphenyl)-4-oxo-3,4-dihydro-2H-1-benzopyran-5-yl]oxy}oxane-2-carboxylic acid
InChI Key
ZTQGTBHHQGGBSV-UVEPFSSFSA-N
InChI Identifier
InChI=1S/C21H20O11/c22-9-3-1-8(2-4-9)12-7-11(24)15-13(30-12)5-10(23)6-14(15)31-21-18(27)16(25)17(26)19(32-21)20(28)29/h1-6,12,16-19,21-23,25-27H,7H2,(H,28,29)/t12-,16?,17?,18?,19?,21?/m0/s1
SMILES
OC1C(O)C(OC2=CC(O)=CC3=C2C(=O)C[C@H](O3)C2=CC=C(O)C=C2)OC(C1O)C(O)=O
Structure

Calculated Properties

Solubility (ALOGPS)
2.00e+00 g/l
LogS (ALOGPS)
-2.35
LogP (ALOGPS)
0.57
Hydrogen Acceptors
11
Hydrogen Donors
6
Rotatable Bond Count
4
Polar Surface Area
183.21
Refractivity
103.30159999999997
Polarizability
42.65448913292634
Formal Charge
0
Physiological Charge
-1
pKa (strongest basic)
-3.686827060576842
pKa (strongest acidic)
2.769260548372785
Number of Rings
4
Rule of Five
No
Bioavailability
No
Ghose Filter
Yes
Veber's Rule
No
MDDR-like Rule
No

Taxonomy as Metabolite

Family
(Poly)phenol metabolites
Class
Flavonoid metabolites
Sub-class
Flavanones (parent and host metabolites)

Taxonomy of its Food Phytochemical Precursor(s)

Food PhytochemicalFamilyClassSub-class
NaringinPolyphenolsFlavonoidsFlavanonesShow Food Phytochemical

Spectra from Online Resources

No spectra information available

Food Sources

No food source information available

Food Sources of its Food Phytochemical(s)

Role as Biomarker of intake

No roles as Biomarker of intake found

Metabolism

Food PhytochemicalMetaboliteSpeciesBiofluidsOriginTMaxCMaxUrinary ExcretionFormulaMonoisotopic mass
Naringin Naringenin-5-glucuronidehumanurinehost metabolismNot AvailableNot AvailableNot AvailableC21H20O11448.100561464 Detailed Intervention Studies Publications

Inter-Individual Variations in Metabolism

Food PhytochemicalMetaboliteEffectValue
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