Identification

PhytoHub ID
PHUB002143
Name
Naringenin-7- sulfate
Systematic Name
Not Available
Synonyms
  • Naringenin 7-O-sulfate
  • Naringenin-7-O-sulfate
CAS Number
Not Available
Average Mass
352.31
Monoisotopic Mass
352.02528852
Chemical Formula
C15H12O8S
IUPAC Name
[5-hydroxy-2-(4-hydroxyphenyl)-4-oxo-3,4-dihydro-2H-1-benzopyran-7-yl]oxidanesulfonic acid
InChI Key
LCXKYLMSILXZFG-UHFFFAOYSA-N
InChI Identifier
InChI=1S/C15H12O8S/c16-9-3-1-8(2-4-9)13-7-12(18)15-11(17)5-10(6-14(15)22-13)23-24(19,20)21/h1-6,13,16-17H,7H2,(H,19,20,21)
SMILES
OC1=CC=C(C=C1)C1CC(=O)C2=C(O)C=C(OS(O)(=O)=O)C=C2O1
Structure

Calculated Properties

Solubility (ALOGPS)
4.88e-01 g/l
LogS (ALOGPS)
-2.86
LogP (ALOGPS)
0.42
Hydrogen Acceptors
7
Hydrogen Donors
3
Rotatable Bond Count
3
Polar Surface Area
130.36
Refractivity
81.2816
Polarizability
32.6405393350757
Formal Charge
0
Physiological Charge
-1
pKa (strongest basic)
-4.955325823130645
pKa (strongest acidic)
-2.4143523282251045
Number of Rings
3
Rule of Five
Yes
Bioavailability
Yes
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
Orange flavanonesPolyphenolsFlavonoidsFlavanonesShow Food Phytochemical
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
Orange flavanones Naringenin-7- sulfatehumanurinehost metabolismNot AvailableNot Available<1%C15H12O8S352.02528852 Detailed Intervention Studies Publications
Naringin Naringenin-7- sulfatehumanurinehost metabolismNot AvailableNot AvailableNot AvailableC15H12O8S352.02528852 Detailed Intervention Studies Publications

Inter-Individual Variations in Metabolism

Food PhytochemicalMetaboliteEffectValue
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