PhytoHub: Showing entry for Naringenin-4'-sulfate

Naringenin-4'-sulfate

Identification

PhytoHub ID

PHUB002144

Name

Naringenin-4'-sulfate

Systematic Name

Not Available

Synonyms

Naringenin 4'-O-sulfate
Naringenin-4'-O-sulfate

CAS Number

Not Available

Average Mass

352.31

Monoisotopic Mass

352.02528852

Chemical Formula

C₁₅H₁₂O₈S

IUPAC Name

[4-(5,7-dihydroxy-4-oxo-3,4-dihydro-2H-1-benzopyran-2-yl)phenyl]oxidanesulfonic acid

InChI Key

LQAWJBRSYCPTLK-UHFFFAOYSA-N

InChI Identifier

InChI=1S/C15H12O8S/c16-9-5-11(17)15-12(18)7-13(22-14(15)6-9)8-1-3-10(4-2-8)23-24(19,20)21/h1-6,13,16-17H,7H2,(H,19,20,21)

SMILES

OC1=CC(O)=C2C(=O)CC(OC2=C1)C1=CC=C(OS(O)(=O)=O)C=C1

Structure

Similar Structures

Calculated Properties

Solubility (ALOGPS): 4.36e-01 g/l
LogS (ALOGPS): -2.91
LogP (ALOGPS): 0.39
Hydrogen Acceptors: 7
Hydrogen Donors: 3
Rotatable Bond Count: 3
Polar Surface Area: 130.35999999999999
Refractivity: 81.2816
Polarizability: 32.904126607973765
Formal Charge: 0
Physiological Charge: -1
pKa (strongest basic): -4.951979767859974
pKa (strongest acidic): -2.3493266753994395
Number of Rings: 3
Rule of Five: Yes
Bioavailability: Yes
Ghose Filter: Yes
Veber's Rule: No
MDDR-like Rule: No

External Links

No external links

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 Phytochemical	Family	Class	Sub-class
Orange flavanones	Polyphenols	Flavonoids	Flavanones	Show Food Phytochemical
Naringin	Polyphenols	Flavonoids	Flavanones	Show Food Phytochemical

Spectra from Phytohub

	Spectrum Type	Instrument Type	Ion Mode	Collision Energy Level	View	Peaks

Food Sources

No food source information available

Food Sources of its Food Phytochemical(s)

Food Phytochemical	Food Source	Food Source Group
Naringin	Grapefruit	Fruit, Citrus	Publications	Show
Naringin	Grapefruit juice	Beverages, Non-alcoholic	Publications	Show
Naringin	Lemon	Fruit, Citrus	Publications	Show
Naringin	Lime	Fruit, Citrus	Publications	Show
Naringin	Sour orange	Fruit, Citrus	Publications	Show
Naringin	Sweet orange	Fruit, Citrus	Publications	Show

Role as Biomarker of intake

No roles as Biomarker of intake found

Metabolism

	Food Phytochemical		Metabolite	Species	Biofluids	Origin	TMax	CMax	Urinary Excretion	Formula	Monoisotopic mass
	Orange flavanones		Naringenin-4'-sulfate	human	plasma, urine	host metabolism	5h-8h	<20 nmol/L	<1%	C₁₅H₁₂O₈S	352.02528852	Detailed Intervention Studies	Publications
	Naringin		Naringenin-4'-sulfate	human	urine	host metabolism	Not Available	Not Available	Not Available	C₁₅H₁₂O₈S	352.02528852	Detailed Intervention Studies	Publications

Inter-Individual Variations in Metabolism

	Food Phytochemical		Metabolite	Effect	Value

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Showing entry for Naringenin-4'-sulfate