metabolite

Showing entry for Eriodictyol-7-glucuronide

Identification

PhytoHub ID
PHUB001081
Name
Eriodictyol-7-glucuronide
Systematic Name
Not Available
Synonyms
Not Available
CAS Number
Not Available
Average Mass
464.379
Monoisotopic Mass
464.095476084
Chemical Formula
C21H20O12
IUPAC Name
6-{[2-(3,4-dihydroxyphenyl)-5-hydroxy-4-oxo-3,4-dihydro-2H-1-benzopyran-7-yl]oxy}-3,4,5-trihydroxyoxane-2-carboxylic acid
InChI Key
JONBDLJSECMWGO-QSIVJBIXSA-N
InChI Identifier
InChI=1S/C21H20O12/c22-9-2-1-7(3-10(9)23)13-6-12(25)15-11(24)4-8(5-14(15)32-13)31-21-18(28)16(26)17(27)19(33-21)20(29)30/h1-5,13,16-19,21-24,26-28H,6H2,(H,29,30)
SMILES
OC1C(O)C(OC2=CC(O)=C3C(=O)CC(OC3=C2)C2=CC(O)=C(O)C=C2)OC(C1O)C(O)=O
Structure
Similar Structures

Calculated Properties

Solubility (ALOGPS)
1.90e+00 g/l
LogS (ALOGPS)
-2.39
LogP (ALOGPS)
1.11
Hydrogen Acceptors
12
Hydrogen Donors
7
Rotatable Bond Count
4
Polar Surface Area
203.43999999999994
Refractivity
105.28249999999998
Polarizability
43.907579965341796
Formal Charge
0
Physiological Charge
-1
pKa (strongest basic)
-3.6868267780633714
pKa (strongest acidic)
2.731713856325965
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
EriocitrinPolyphenolsFlavonoidsFlavanonesShow Food Phytochemical
EriodictyolPolyphenolsFlavonoidsFlavanonesShow Food Phytochemical

Spectra from Online Resources

No spectra information available

Food Sources

No food source information available

Food Sources of its Food Phytochemical(s)

Food PhytochemicalFood SourceFood Source Group
EriocitrinLemonFruit, Citrus PublicationsShow
EriocitrinLimeFruit, Citrus PublicationsShow

Role as Biomarker of intake

No roles as Biomarker of intake found

Metabolism

Food PhytochemicalMetaboliteSpeciesBiofluidsOriginTMaxCMaxUrinary ExcretionFormulaMonoisotopic mass
Eriocitrin Eriodictyol-7-glucuronideraturinehost metabolismNot AvailableNot AvailableNot AvailableC21H20O12464.095476084 Publications
Eriodictyol Eriodictyol-7-glucuronidehuman raturine (major)host metabolismNot AvailableNot AvailableNot AvailableC21H20O12464.095476084 Publications

Inter-Individual Variations in Metabolism

Food PhytochemicalMetaboliteEffectValue
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