precursor

Showing entry for Eriodictyol-8-C-glucoside

Identification

PhytoHub ID
PHUB000403
Name
Eriodictyol-8-C-glucoside
Systematic Name
Not Available
Synonyms
Not Available
CAS Number
Not Available
Average Mass
450.396
Monoisotopic Mass
450.116211528
Chemical Formula
C21H22O11
IUPAC Name
2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-8-[(2S,3R,4R,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]-3,4-dihydro-2H-1-benzopyran-4-one
InChI Key
CMVYWFJFAHQVQP-GJNDOSSTSA-N
InChI Identifier
InChI=1S/C21H22O11/c22-6-14-17(28)18(29)19(30)21(32-14)16-11(26)4-10(25)15-12(27)5-13(31-20(15)16)7-1-2-8(23)9(24)3-7/h1-4,13-14,17-19,21-26,28-30H,5-6H2/t13?,14-,17-,18+,19-,21+/m1/s1
SMILES
OC[C@H]1O[C@H]([C@H](O)[C@@H](O)[C@@H]1O)C1=C(O)C=C(O)C2=C1OC(CC2=O)C1=CC=C(O)C(O)=C1
Structure
Similar Structures

Calculated Properties

Solubility (ALOGPS)
3.25e+00 g/l
LogS (ALOGPS)
-2.14
LogP (ALOGPS)
-0.17
Hydrogen Acceptors
11
Hydrogen Donors
8
Rotatable Bond Count
3
Polar Surface Area
197.36999999999998
Refractivity
106.38900000000002
Polarizability
42.60019881107428
Formal Charge
0
Physiological Charge
0
pKa (strongest basic)
-2.979192627705511
pKa (strongest acidic)
7.453718913332286
Number of Rings
4
Rule of Five
No
Bioavailability
No
Ghose Filter
Yes
Veber's Rule
No
MDDR-like Rule
No

Taxonomy as Food Phytochemical

Family
Polyphenols
Class
Flavonoids
Sub-class
Flavanones

Spectra from Online Resources

No spectra information available

Spectra from Phytohub

Spectrum TypeDescriptionSplash KeyDeposition DateView

Food Sources

NameGroup
Rooibos teaBeverages, Non-alcoholic PublicationsShow

Role as Biomarker of intake

No roles as Biomarker of intake found

Metabolism

Food PhytochemicalMetaboliteSpeciesBiofluidsOriginTMaxCMaxUrinary ExcretionFormulaMonoisotopic mass
Eriodictyol-8-C-glucoside Eriodictyol-glucuronidehumanurine (minor)host metabolismNot AvailableNot AvailableNot AvailableC21H20O12464.3829549 Publications
Eriodictyol-8-C-glucoside Eriodictyol sulfatehumanurine (major)host metabolismNot AvailableNot AvailableNot AvailableC15H12O9S368.3194001 Publications

Inter-Individual Variations in Metabolism

Food PhytochemicalMetaboliteEffectValue
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