precursor metabolite

Showing entry for Eriodictyol

Identification

PhytoHub ID
PHUB000378
Name
Eriodictyol
Systematic Name
Not Available
Synonyms
  • 5,7,3',4'-Tetrahydroxyflavanone
CAS Number
Not Available
Average Mass
288.255
Monoisotopic Mass
288.063388106
Chemical Formula
C15H12O6
IUPAC Name
(2S)-2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-3,4-dihydro-2H-1-benzopyran-4-one
InChI Key
SBHXYTNGIZCORC-ZDUSSCGKSA-N
InChI Identifier
InChI=1S/C15H12O6/c16-8-4-11(19)15-12(20)6-13(21-14(15)5-8)7-1-2-9(17)10(18)3-7/h1-5,13,16-19H,6H2/t13-/m0/s1
SMILES
OC1=CC(O)=C2C(=O)C[C@H](OC2=C1)C1=CC=C(O)C(O)=C1
Structure
Similar Structures

Calculated Properties

Solubility (ALOGPS)
3.66e-01 g/l
LogS (ALOGPS)
-2.90
LogP (ALOGPS)
2.15
Hydrogen Acceptors
6
Hydrogen Donors
4
Rotatable Bond Count
1
Polar Surface Area
107.22
Refractivity
73.2707
Polarizability
28.219500500323825
Formal Charge
0
Physiological Charge
0
pKa (strongest basic)
-4.950235552435861
pKa (strongest acidic)
7.847641383059947
Number of Rings
3
Rule of Five
Yes
Bioavailability
Yes
Ghose Filter
Yes
Veber's Rule
No
MDDR-like Rule
No

Taxonomy as Food Phytochemical

Family
Polyphenols
Class
Flavonoids
Sub-class
Flavanones

Taxonomy as Metabolite

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

Taxonomy of its Food Phytochemical Precursor(s)

Food PhytochemicalFamilyClassSub-class
HesperetinPolyphenolsFlavonoidsFlavanonesShow Food Phytochemical
NaringinPolyphenolsFlavonoidsFlavanonesShow Food Phytochemical
EriocitrinPolyphenolsFlavonoidsFlavanonesShow Food Phytochemical

Spectra from Online Resources

Record IDSourceDescriptionView
PR040011MassBankLC-ESI-QTOF Spectrum - Ramp 5-60 eV, [M-H]-View Spectra
PR040012MassBankLC-ESI-QTOF Spectrum - Ramp 5-60 eV, [2M-H]-View Spectra
PR040013MassBankLC-ESI-QTOF Spectrum - 30 eV, [M-H]-View Spectra
PR040014MassBankLC-ESI-QTOF Spectrum - 30 eV, [2M-H]-View Spectra
PR040015MassBankLC-ESI-QTOF Spectrum - 30 eV, [M+H]+View Spectra
PR040016MassBankLC-ESI-QTOF Spectrum - Ramp 5-60 eV, [M+H]+View Spectra
PR100226MassBankLC-ESI-QTOF Spectrum - Ramp 5-60 V, unspecifiedView Spectra
PR100639MassBankLC-ESI-QTOF Spectrum - Ramp 5-60 V, unspecifiedView Spectra
PS039801ReSpectN/A Spectrum - 10, [M+H]+View Spectra
PS039802ReSpectN/A Spectrum - 20, [M+H]+View Spectra
PS039803ReSpectN/A Spectrum - 30, [M+H]+View Spectra
PS039804ReSpectN/A Spectrum - 40, [M+H]+View Spectra
PS039805ReSpectN/A Spectrum - 50, [M+H]+View Spectra
PS039807ReSpectN/A Spectrum - 10, [M-H]-View Spectra
PS039808ReSpectN/A Spectrum - 20, [M-H]-View Spectra
PS039809ReSpectN/A Spectrum - 30, [M-H]-View Spectra
PS039810ReSpectN/A Spectrum - 40, [M-H]-View Spectra
PS039811ReSpectN/A Spectrum - 50, [M-H]-View Spectra
PS039812ReSpectN/A Spectrum - 60, [M-H]-View Spectra

Food Sources

No food source information available

Food Sources of its Food Phytochemical(s)

Food PhytochemicalFood SourceFood Source Group
NaringinGrapefruitFruit, Citrus PublicationsShow
NaringinGrapefruit juiceBeverages, Non-alcoholic PublicationsShow
HesperetinLemonFruit, CitrusShow
NaringinLemonFruit, Citrus PublicationsShow
EriocitrinLemonFruit, Citrus PublicationsShow
HesperetinLimeFruit, CitrusShow
NaringinLimeFruit, Citrus PublicationsShow
EriocitrinLimeFruit, Citrus PublicationsShow
HesperetinOrange juiceBeverages, Non-alcoholicShow
NaringinSour orangeFruit, Citrus PublicationsShow
HesperetinSweet orangeFruit, CitrusShow
NaringinSweet orangeFruit, Citrus PublicationsShow

Role as Biomarker of intake

No roles as Biomarker of intake found

Metabolism

Food PhytochemicalMetaboliteSpeciesBiofluidsOriginTMaxCMaxUrinary ExcretionFormulaMonoisotopic mass
Eriodictyol Hesperetinratplasma, urineNot AvailableNot AvailableNot AvailableNot AvailableC16H14O6302.079038171 Publications
Eriodictyol Dihydrocaffeic acidin vitro (human) raturinegut microbiota metaboliteNot AvailableNot AvailableNot AvailableC9H10O4182.057908802 Publications
Eriodictyol Dihydrocaffeic acid glucuronideraturineNot AvailableNot AvailableNot AvailableNot AvailableC15H18O10358.3021714 Publications
Eriodictyol Eriodictyol-7-glucuronidehuman raturine (major)host metabolismNot AvailableNot AvailableNot AvailableC21H20O12464.095476084 Publications
Eriodictyol Hesperetin glucuronideraturineunknownNot AvailableNot AvailableNot AvailableC22H22O12478.4099437 Publications
Eriodictyol HomoeriodictyolraturineNot AvailableNot AvailableNot AvailableNot AvailableC16H14O6302.079038171 Publications
Eriodictyol Homoeriodictyol glucuronideraturineNot AvailableNot AvailableNot AvailableNot AvailableC22H22O12478.4099437 Publications
Eriodictyol Phloroglucinolin vitro (human)Not Availablegut microbiota metaboliteNot AvailableNot AvailableNot AvailableC6H6O3126.031694053 Publications
Hesperetin Eriodictyolin vitro (pig)Not Availablegut microbiota metaboliteNot AvailableNot AvailableNot AvailableC15H12O6288.063388106 Publications
Naringin EriodictyolNot AvailableNot AvailableNot AvailableNot AvailableNot AvailableNot AvailableC15H12O6288.063388106 Detailed Intervention Studies
Eriocitrin EriodictyolhumanNot AvailableNot AvailableNot AvailableNot AvailableNot AvailableC15H12O6288.063388106

Inter-Individual Variations in Metabolism

Food PhytochemicalMetaboliteEffectValue
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