Showing entry for Hesperetin 7-O-glucuronide
Identification
- PhytoHub ID
- PHUB001098
- Name
- Hesperetin 7-O-glucuronide
- Synonyms
- Not Available
- CAS Number
- Not Available
- Average Mass
- 478.406
- Monoisotopic Mass
- 478.111126148
- Chemical Formula
- C22H22O12
- IUPAC Name
- 3,4,5-trihydroxy-6-{[5-hydroxy-2-(3-hydroxy-4-methoxyphenyl)-4-oxo-2,3-dihydro-1-benzopyran-7-yl]oxy}oxane-2-carboxylic acid
- InChI Key
- NEAWXAXVQDDFJL-UHFFFAOYSA-N
- InChI Identifier
InChI=1S/C22H22O12/c1-31-13-3-2-8(4-10(13)23)14-7-12(25)16-11(24)5-9(6-15(16)33-14)32-22-19(28)17(26)18(27)20(34-22)21(29)30/h2-6,14,17-20,22-24,26-28H,7H2,1H3,(H,29,30)
- SMILES
COC1=CC=C(C=C1O)C1CC(=O)C2=C(O1)C=C(OC1OC(C(O)C(O)C1O)C(O)=O)C=C2O
- Structure
Calculated Properties
- Solubility (ALOGPS)
- 1.98e+00 g/l
- LogS (ALOGPS)
- -2.38
- LogP (ALOGPS)
- 0.93
- Hydrogen Acceptors
- 12
- Hydrogen Donors
- 6
- Rotatable Bond Count
- 5
- Polar Surface Area
- 192.43999999999997
- Refractivity
- 109.76479999999998
- Polarizability
- 45.981545310776255
- Formal Charge
- 0
- Physiological Charge
- -1
- pKa (strongest basic)
- -3.686826778063371
- pKa (strongest acidic)
- 2.7317139622614444
External Links
No external links
Precursor Taxonomy
Precursor | Family | Class | Sub-class | |
---|---|---|---|---|
Hesperetin | Polyphenols | Flavonoids | Flavanones | Show Precursor |
Hesperidin | Polyphenols | Flavonoids | Flavanones | Show Precursor |
Spectra
No spectra information available
Food Sources
Precursor | Food Source | Food Source Group | |||
---|---|---|---|---|---|
Hesperidin | Grapefruit juice | Beverages, Non-alcoholic | Publications | Show | |
Hesperetin | Lemon | Fruit, Citrus | Show | ||
Hesperetin | Lime | Fruit, Citrus | Show | ||
Hesperetin | Orange juice | Beverages, Non-alcoholic | Show | ||
Hesperidin | Orange juice | Beverages, Non-alcoholic | Publications | Show | |
Hesperetin | Sweet orange | Fruit, Citrus | Show |
Metabolism
Precursor | Metabolite | Species | Biofluids | Formula | Monoisotopic mass | |||
---|---|---|---|---|---|---|---|---|
Hesperetin | Hesperetin 7-O-glucuronide | human | plasma (major), urine (minor) | C22H22O12 | 478.111126148 | Publications | ||
Hesperidin | Hesperetin 7-O-glucuronide | human rat | plasma, urine | C22H22O12 | 478.111126148 | Publications |