Urolithin C
Showing entry for Urolithin C
Identification
- PhytoHub ID
- PHUB001396
- Name
- Urolithin C
- Systematic Name
- 3,8,9-trihydroxy-urolithin
- Synonyms
- 3,8,9-trihydroxy-6H-benzo[c]chromen-6-one
- 3,8,9-trihydroxy-urolithin
- hydroxyurolithin A
- trihydroxy-dibenzopyran-6-one
- trihydroxyurolithin
- CAS Number
- 165393-06-6
- Average Mass
- 244.202
- Monoisotopic Mass
- 244.037173358
- Chemical Formula
- C13H8O5
- IUPAC Name
- 3,8,9-trihydroxy-6H-benzo[c]chromen-6-one
- InChI Key
- HHXMEXZVPJFAIJ-UHFFFAOYSA-N
- InChI Identifier
InChI=1S/C13H8O5/c14-6-1-2-7-8-4-10(15)11(16)5-9(8)13(17)18-12(7)3-6/h1-5,14-16H
- SMILES
OC1=CC2=C(C=C1)C1=C(C=C(O)C(O)=C1)C(=O)O2
- Structure
Structure for Urolithin C
Calculated Properties
- Solubility (ALOGPS)
- 3.89e-01 g/l
- LogS (ALOGPS)
- -2.80
- LogP (ALOGPS)
- 2.26
- Hydrogen Acceptors
- 4
- Hydrogen Donors
- 3
- Rotatable Bond Count
- 0
- Polar Surface Area
- 86.99000000000001
- Refractivity
- 62.881800000000005
- Polarizability
- 23.211163805124166
- Formal Charge
- 0
- Physiological Charge
- -1
- pKa (strongest basic)
- -6.417792450207521
- pKa (strongest acidic)
- 7.271662662636823
- Number of Rings
- 3
- Rule of Five
- Yes
- Bioavailability
- Yes
- Ghose Filter
- Yes
- Veber's Rule
- No
- MDDR-like Rule
- No
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", "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", "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
Food Sources
No food source information available
Food Sources of its Food Phytochemical(s)
Role as Biomarker of intake
No roles as Biomarker of intake found