Urolithin CR
Showing entry for Urolithin CR
Identification
- PhytoHub ID
- PHUB001932
- Name
- Urolithin CR
- Systematic Name
- Not Available
- Synonyms
- 4,8,9 trihydroxy urolithin
- CAS Number
- Not Available
- Average Mass
- 244.202
- Monoisotopic Mass
- 244.037173358
- Chemical Formula
- C13H8O5
- IUPAC Name
- 4,8,9-trihydroxy-6H-benzo[c]chromen-6-one
- InChI Key
- CGAMJZWNUGVGRO-UHFFFAOYSA-N
- InChI Identifier
InChI=1S/C13H8O5/c14-9-3-1-2-6-7-4-10(15)11(16)5-8(7)13(17)18-12(6)9/h1-5,14-16H
- SMILES
OC1=CC2=C(C=C1O)C1=C(OC2=O)C(O)=CC=C1
- Structure
Structure for Urolithin CR
Calculated Properties
- Solubility (ALOGPS)
- 4.36e-01 g/l
- LogS (ALOGPS)
- -2.75
- LogP (ALOGPS)
- 2.19
- Hydrogen Acceptors
- 4
- Hydrogen Donors
- 3
- Rotatable Bond Count
- 0
- Polar Surface Area
- 86.99000000000001
- Refractivity
- 62.88180000000001
- Polarizability
- 23.108973052666588
- Formal Charge
- 0
- Physiological Charge
- 0
- pKa (strongest basic)
- -4.366220461535047
- pKa (strongest acidic)
- 7.406030064964707
- Number of Rings
- 3
- Rule of Five
- Yes
- Bioavailability
- Yes
- Ghose Filter
- Yes
- Veber's Rule
- No
- MDDR-like Rule
- No
External Links
No external links
Taxonomy as Metabolite
- Family
- (Poly)phenol metabolites
- Class
- Ellagitannin metabolites
- Sub-class
- Urolithins (and ellagic acid metabolites)
Taxonomy of its Food Phytochemical Precursor(s)
| Food Phytochemical | Family | Class | Sub-class | |
|---|---|---|---|---|
| Ellagic acid | Polyphenols | Phenolic acids | Hydroxybenzoic acids | Show Food Phytochemical |
Classyfire Taxonomy
- Kingdom Name
- Organic compounds
- Class
- Coumarins and derivatives
- Super-class
- Phenylpropanoids and polyketides
- Sub-class
- Not Available
- Direct Parent Name
- Coumarins and derivatives
- Alternative Parent Names
- ["1-benzopyrans", "1-hydroxy-2-unsubstituted benzenoids", "1-hydroxy-4-unsubstituted benzenoids", "2-benzopyrans", "Heteroaromatic compounds", "Hydrocarbon derivatives", "Isocoumarins and derivatives", "Lactones", "Organic oxides", "Oxacyclic compounds", "Polyols", "Pyranones and derivatives"]
- External Descriptor Annotations
- Not Available
- Substituent Names
- ["1-benzopyran", "1-hydroxy-2-unsubstituted benzenoid", "1-hydroxy-4-unsubstituted benzenoid", "2-benzopyran", "Aromatic heteropolycyclic compound", "Benzenoid", "Benzopyran", "Coumarin", "Heteroaromatic compound", "Hydrocarbon derivative", "Isocoumarin", "Lactone", "Organic oxide", "Organic oxygen compound", "Organoheterocyclic compound", "Organooxygen compound", "Oxacycle", "Polyol", "Pyran", "Pyranone"]
Spectra from Phytohub
| Spectrum Type | Instrument Type | Ion Mode | Collision Energy Level | View | Peaks | |
|---|---|---|---|---|---|---|
Food Sources
No food source information available
Food Sources of its Food Phytochemical(s)
| Food Phytochemical | Food Source | Food Source Group | |||
|---|---|---|---|---|---|
| Ellagic acid | American cranberry | Fruit, Berries | Publications | Show | |
| Ellagic acid | Blackberry | Fruit, Berries | Publications | Show | |
| Ellagic acid | Cagaita | Fruit, Tropical fruits | Publications | Show | |
| Ellagic acid | Common walnut | Nuts | Publications | Show | |
| Ellagic acid | Cranberry | Fruit, Berries | Show | ||
| Ellagic acid | European chestnut | Nuts | Publications | Show | |
| Ellagic acid | Grapes | Fruit, Berries | Show | ||
| Ellagic acid | Grumixama juice | Beverages, Non-alcoholic | Publications | Show | |
| Ellagic acid | Jabuticaba | Fruit, Berries | Publications | Show | |
| Ellagic acid | Peach | Fruit, Drupes | Show | ||
| Ellagic acid | Pecan nut | Nuts | Publications | Show | |
| Ellagic acid | Pomegranate | Fruit, Tropical fruits | Publications | Show | |
| Ellagic acid | Pomegranate juice | Beverages, Non-alcoholic | Publications | Show | |
| Ellagic acid | Red raspberry | Fruit, Berries | Publications | Show | |
| Ellagic acid | Strawberry | Fruit, Berries | Publications | Show | |
| Ellagic acid | Whisky | Beverages, Alcoholic | Publications | Show |
Role as Biomarker of intake
No roles as Biomarker of intake found
Metabolism
| Food Phytochemical | Metabolite | Species | Biofluids | Origin | TMax | CMax | Urinary Excretion | Formula | Monoisotopic mass | ||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Ellagic acid | Urolithin CR | human | feces | gut microbiota metabolite | Not Available | Not Available | Not Available | C13H8O5 | 244.037173358 | Detailed Intervention Studies |
Inter-Individual Variations in Metabolism
| Food Phytochemical | Metabolite | Effect | Value |
|---|