Urolithin A
Showing entry for Urolithin A
Identification
- PhytoHub ID
- PHUB001391
- Name
- Urolithin A
- Systematic Name
- 3,8-dihydroxy-urolithin
- Synonyms
- 3,8-dihydroxy-6H-benzo[c]chromen-6-one
- 3,8-dihydroxy-urolithin
- dihydroxy-dibenzopyran-6-one
- CAS Number
- 1143-70-0
- Average Mass
- 228.203
- Monoisotopic Mass
- 228.042258738
- Chemical Formula
- C13H8O4
- IUPAC Name
- 3,8-dihydroxy-6H-benzo[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
Structure for Urolithin A
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
- 22.25951465693135
- Formal Charge
- 0
- Physiological Charge
- -1
- pKa (strongest basic)
- -7.061837521358001
- pKa (strongest acidic)
- 7.213762400702427
- Number of Rings
- 3
- Rule of Five
- Yes
- Bioavailability
- Yes
- Ghose Filter
- Yes
- Veber's Rule
- No
- MDDR-like Rule
- No
External Links
- PubChem
- 5488186
- Chemistry Dashboard
- DTXSID40150694
- Phenol-Explorer
- 1037
- FooDB (Compounds)
- FDB029999
- PeakForestCompound
- 000845
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", "Organooxygen compounds", "Oxacyclic compounds", "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", "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