Identification

PhytoHub ID
PHUB001117
Name
Naringenin 7-O-glucuronide
Synonyms
Not Available
CAS Number
Not Available
Average Mass
448.3769
Monoisotopic Mass
448.100561482
Chemical Formula
C21H20O11
IUPAC Name
3,4,5-trihydroxy-6-{[5-hydroxy-2-(4-hydroxyphenyl)-4-oxo-2,3-dihydro-1-benzopyran-7-yl]oxy}oxane-2-carboxylic acid
InChI Key
BDCRTIDKZGEVEN-UHFFFAOYSA-N
InChI Identifier
InChI=1S/C21H20O11/c22-9-3-1-8(2-4-9)13-7-12(24)15-11(23)5-10(6-14(15)31-13)30-21-18(27)16(25)17(26)19(32-21)20(28)29/h1-6,13,16-19,21-23,25-27H,7H2,(H,28,29)
SMILES
OC1C(O)C(OC2=CC(O)=C3C(=O)CC(OC3=C2)C2=CC=C(O)C=C2)OC(C1O)C(O)=O
Structure

Calculated Properties

Solubility (ALOGPS)
1.69e+00 g/l
LogS (ALOGPS)
-2.42
LogP (ALOGPS)
0.65
Hydrogen Acceptors
11
Hydrogen Donors
6
Rotatable Bond Count
4
Polar Surface Area
183.21
Refractivity
103.30159999999998
Polarizability
42.887261970882946
Formal Charge
0
Physiological Charge
-1
pKa (strongest basic)
-3.686826778063371
pKa (strongest acidic)
2.7317148775775277
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Precursor Taxonomy

PrecursorFamilyClassSub-class
NaringeninPolyphenolsFlavonoidsFlavanonesShow Precursor
PruninPolyphenolsFlavonoidsFlavanonesShow Precursor
NaringinPolyphenolsFlavonoidsFlavanonesShow Precursor
NarirutinPolyphenolsFlavonoidsFlavanonesShow Precursor

Spectra

No spectra information available

Metabolism

PrecursorMetaboliteSpeciesBiofluidsFormulaMonoisotopic mass
Naringenin Naringenin 7-O-glucuronidehumanplasma (major), urine (major)C21H20O11448.100561482 Publications
Prunin Naringenin 7-O-glucuronidehumanplasma (major), urine (major)C21H20O11448.100561482 Publications
Naringin Naringenin 7-O-glucuronidehumanurineC21H20O11448.100561482 Publications
Narirutin Naringenin 7-O-glucuronidehuman ratplasma (major), urine (major)C21H20O11448.100561482 Publications
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