PhytoHub: Showing entry for Naringenin 7-O-glucuronide

Naringenin 7-O-glucuronide

Identification

PhytoHub ID

PHUB001117

Name

Naringenin 7-O-glucuronide

Synonyms

Not Available

CAS Number

Not Available

Average Mass

448.3769

Monoisotopic Mass

448.100561482

Chemical Formula

C₂₁H₂₀O₁₁

IUPAC Name

3,4,5-trihydroxy-6-{[5-hydroxy-2-(4-hydroxyphenyl)-4-oxo-2,3-dihydro-1-benzopyran-7-yl]oxy}oxane-2-carboxylic acid

InChI Key

BDCRTIDKZGEVEN-UHFFFAOYSA-N

InChI Identifier

InChI=1S/C21H20O11/c22-9-3-1-8(2-4-9)13-7-12(24)15-11(23)5-10(6-14(15)31-13)30-21-18(27)16(25)17(26)19(32-21)20(28)29/h1-6,13,16-19,21-23,25-27H,7H2,(H,28,29)

SMILES

OC1C(O)C(OC2=CC(O)=C3C(=O)CC(OC3=C2)C2=CC=C(O)C=C2)OC(C1O)C(O)=O

Structure

MOL SDF PDB SMILES InChI

Calculated Properties

Solubility (ALOGPS): 1.69e+00 g/l
LogS (ALOGPS): -2.42
LogP (ALOGPS): 0.65
Hydrogen Acceptors: 11
Hydrogen Donors: 6
Rotatable Bond Count: 4
Polar Surface Area: 183.21
Refractivity: 103.30159999999998
Polarizability: 42.887261970882946
Formal Charge: 0
Physiological Charge: -1
pKa (strongest basic): -3.686826778063371
pKa (strongest acidic): 2.7317148775775277

External Links

No external links

Precursor Taxonomy

Precursor	Family	Class	Sub-class
Naringenin	Polyphenols	Flavonoids	Flavanones	Show Precursor
Prunin	Polyphenols	Flavonoids	Flavanones	Show Precursor
Naringin	Polyphenols	Flavonoids	Flavanones	Show Precursor
Narirutin	Polyphenols	Flavonoids	Flavanones	Show Precursor

Spectra

No spectra information available

Food Sources

Precursor	Food Source	Food Source Group
Naringenin	Cherry tomato	Vegetables, Fruit vegetables	Publications	Show
Naringenin	Grapefruit	Fruit, Citrus	Publications	Show
Naringin	Grapefruit	Fruit, Citrus	Publications	Show
Narirutin	Grapefruit	Fruit, Citrus	Publications	Show
Naringenin	Grapefruit juice	Beverages, Non-alcoholic	Publications	Show
Naringin	Grapefruit juice	Beverages, Non-alcoholic	Publications	Show
Narirutin	Grapefruit juice	Beverages, Non-alcoholic	Publications	Show
Naringin	Lemon	Fruit, Citrus	Publications	Show
Naringin	Lime	Fruit, Citrus	Publications	Show
Narirutin	Orange juice	Beverages, Non-alcoholic	Publications	Show
Naringin	Sour orange	Fruit, Citrus	Publications	Show
Naringenin	Sweet orange	Fruit, Citrus	Publications	Show
Naringin	Sweet orange	Fruit, Citrus	Publications	Show
Narirutin	Sweet orange	Fruit, Citrus	Publications	Show
Naringenin	Tomato	Vegetables, Fruit vegetables	Publications	Show

Metabolism

Precursor	Metabolite	Species	Biofluids	Formula	Monoisotopic mass
Naringenin	Naringenin 7-O-glucuronide	human	plasma (major), urine (major)	C₂₁H₂₀O₁₁	448.100561482	Publications
Prunin	Naringenin 7-O-glucuronide	human	plasma (major), urine (major)	C₂₁H₂₀O₁₁	448.100561482	Publications
Naringin	Naringenin 7-O-glucuronide	human	urine	C₂₁H₂₀O₁₁	448.100561482	Publications
Narirutin	Naringenin 7-O-glucuronide	human rat	plasma (major), urine (major)	C₂₁H₂₀O₁₁	448.100561482	Publications

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Showing entry for Naringenin 7-O-glucuronide