Showing entry for Naringenin 4'-O-glucuronide
Identification
- PhytoHub ID
- PHUB001113
- Name
- Naringenin 4'-O-glucuronide
- Synonyms
- Not Available
- CAS Number
- Not Available
- Average Mass
- 448.38
- Monoisotopic Mass
- 448.100561464
- Chemical Formula
- C21H20O11
- IUPAC Name
- 6-[4-(5,7-dihydroxy-4-oxo-2,3-dihydro-1-benzopyran-2-yl)phenoxy]-3,4,5-trihydroxyoxane-2-carboxylic acid
- InChI Key
- DFIUUCDSSKATFP-UHFFFAOYSA-N
- InChI Identifier
InChI=1S/C21H20O11/c22-9-5-11(23)15-12(24)7-13(31-14(15)6-9)8-1-3-10(4-2-8)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=C(C=C2)C2CC(=O)C3=C(O)C=C(O)C=C3O2)OC(C1O)C(O)=O
- Structure
Calculated Properties
- Solubility (ALOGPS)
- 1.48e+00 g/l
- LogS (ALOGPS)
- -2.48
- LogP (ALOGPS)
- 0.73
- Hydrogen Acceptors
- 11
- Hydrogen Donors
- 6
- Rotatable Bond Count
- 4
- Polar Surface Area
- 183.20999999999998
- Refractivity
- 103.30159999999998
- Polarizability
- 42.98748309580358
- Formal Charge
- 0
- Physiological Charge
- -1
- pKa (strongest basic)
- -3.6868267613771284
- pKa (strongest acidic)
- 3.21362575295671
External Links
- PubChem
- 53394091
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 4'-O-glucuronide | human | plasma (major), urine (major) | C21H20O11 | 448.100561464 | Publications | ||
Prunin | Naringenin 4'-O-glucuronide | human | plasma (major), urine (major) | C21H20O11 | 448.100561464 | Publications | ||
Naringin | Naringenin 4'-O-glucuronide | human | urine | C21H20O11 | 448.100561464 | Publications | ||
Narirutin | Naringenin 4'-O-glucuronide | human rat | plasma (major), urine (major) | C21H20O11 | 448.100561464 | Publications |