Urolithin C-3-O-glucuronide
Showing entry for Urolithin C-3-O-glucuronide
Identification
- PhytoHub ID
- PHUB001397
- Name
- Urolithin C-3-O-glucuronide
- Synonyms
- Not Available
- CAS Number
- Not Available
- Average Mass
- 420.326
- Monoisotopic Mass
- 420.069261335
- Chemical Formula
- C19H16O11
- IUPAC Name
- (2S,3S,4S,5R,6S)-6-({8,9-dihydroxy-6-oxobenzo[c]chromen-3-yl}oxy)-3,4,5-trihydroxyoxane-2-carboxylic acid
- InChI Key
- DDAQYQCCOWZGDO-KSPMYQCISA-N
- InChI Identifier
InChI=1S/C19H16O11/c20-10-4-8-7-2-1-6(3-12(7)29-18(27)9(8)5-11(10)21)28-19-15(24)13(22)14(23)16(30-19)17(25)26/h1-5,13-16,19-24H,(H,25,26)/t13-,14-,15+,16-,19+/m0/s1
- SMILES
O[C@@H]1[C@@H](O)[C@H](OC2=CC3=C(C=C2)C2=C(C=C(O)C(O)=C2)C(=O)O3)O[C@@H]([C@H]1O)C(O)=O
- Structure
Calculated Properties
- Solubility (ALOGPS)
- 1.97e+00 g/l
- LogS (ALOGPS)
- -2.33
- LogP (ALOGPS)
- 0.60
- Hydrogen Acceptors
- 10
- Hydrogen Donors
- 6
- Rotatable Bond Count
- 3
- Polar Surface Area
- 183.20999999999995
- Refractivity
- 94.89359999999999
- Polarizability
- 38.920434156855954
- Formal Charge
- 0
- Physiological Charge
- -1
- pKa (strongest basic)
- -3.6868267697279613
- pKa (strongest acidic)
- 3.187119629455068
External Links
No external links
Precursor Taxonomy
| Precursor | Family | Class | Sub-class | |
|---|---|---|---|---|
| Ellagic acid | Polyphenols | Phenolic acids | Hydroxybenzoic acids | Show Precursor |
Spectra
No spectra information available
Food Sources
| Precursor | Food Source | Food Source Group | |||
|---|---|---|---|---|---|
| Ellagic acid | Blackberry | Fruit, Berries | Publications | Show | |
| Ellagic acid | Common walnut | Nuts | Show | ||
| Ellagic acid | Cranberry | Fruit, Berries | Show | ||
| Ellagic acid | Grapes | Fruit, Berries | Show | ||
| Ellagic acid | Peach | Fruit, Drupes | Show | ||
| Ellagic acid | Pecan nut | Nuts | Show | ||
| Ellagic acid | Pomegranate | Fruit, Tropical fruits | Publications | Show | |
| Ellagic acid | Pomegranate juice | Beverages, Non-alcoholic | Publications | Show | |
| Ellagic acid | Red raspberry | Fruit, Berries | Show | ||
| Ellagic acid | Strawberry | Fruit, Berries | Publications | Show |
Metabolism
| Precursor | Metabolite | Species | Biofluids | Formula | Monoisotopic mass | |||
|---|---|---|---|---|---|---|---|---|
| Ellagic acid | Urolithin C-3-O-glucuronide | human | plasma, urine | C19H16O11 | 420.069261335 | Publications |
Urolithin C-3-O-glucuronide