Urolithin A
Showing entry for Urolithin A
Identification
- PhytoHub ID
- PHUB001391
- Name
- Urolithin A
- Synonyms
- dihydroxy-dibenzopyran-6-one
- CAS Number
- 1143-70-0
- Average Mass
- 228.2002
- Monoisotopic Mass
- 228.042258744
- Chemical Formula
- C13H8O4
- IUPAC Name
- 3,8-dihydroxybenzo[c]chromen-6-one
- InChI Key
- RIUPLDUFZCXCHM-UHFFFAOYSA-N
- InChI Identifier
InChI=1S/C13H8O4/c14-7-1-3-9-10-4-2-8(15)6-12(10)17-13(16)11(9)5-7/h1-6,14-15H
- SMILES
OC1=CC2=C(C=C1)C1=C(C=C(O)C=C1)C(=O)O2
- Structure
Calculated Properties
- Solubility (ALOGPS)
- 2.63e-01 g/l
- LogS (ALOGPS)
- -2.94
- LogP (ALOGPS)
- 2.16
- Hydrogen Acceptors
- 3
- Hydrogen Donors
- 2
- Rotatable Bond Count
- 0
- Polar Surface Area
- 66.76
- Refractivity
- 60.90090000000001
- Polarizability
- 22.258403045305855
- Formal Charge
- 0
- Physiological Charge
- 0
- pKa (strongest basic)
- -7.061837521358001
- pKa (strongest acidic)
- 7.213762400702427
External Links
- PubChem
- 5488186
- Chemistry Dashboard
- DTXSID40150694
- Phenol-Explorer
- 1037
- FooDB (Compounds)
- FDB029999
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 A | human | plasma, urine | C13H8O4 | 228.042258744 | Publications |
Urolithin A