Urolithin D
Showing entry for Urolithin D
Identification
- PhytoHub ID
- PHUB001398
- Name
- Urolithin D
- Systematic Name
- 3,4,8,9-tetrahydroxy-urolithin
- Synonyms
- 3,4,8,9-tetrahydroxy-6H-benzo[c]chromen-6-one
- 3,4,8,9-tetrahydroxy-urolithin
- tetrahydroxy-dibenzopyran-6-one
- CAS Number
- 131086-98-1
- Average Mass
- 260.201
- Monoisotopic Mass
- 260.032087978
- Chemical Formula
- C13H8O6
- IUPAC Name
- 3,4,8,9-tetrahydroxy-6H-benzo[c]chromen-6-one
- InChI Key
- NEZDQSKPNPRYAW-UHFFFAOYSA-N
- InChI Identifier
InChI=1S/C13H8O6/c14-8-2-1-5-6-3-9(15)10(16)4-7(6)13(18)19-12(5)11(8)17/h1-4,14-17H
- SMILES
OC1=CC2=C(C=C1O)C1=CC=C(O)C(O)=C1OC2=O
- Structure
Structure for Urolithin D
Calculated Properties
- Solubility (ALOGPS)
- 4.20e-01 g/l
- LogS (ALOGPS)
- -2.79
- LogP (ALOGPS)
- 1.93
- Hydrogen Acceptors
- 5
- Hydrogen Donors
- 4
- Rotatable Bond Count
- 0
- Polar Surface Area
- 107.22
- Refractivity
- 64.86270000000002
- Polarizability
- 24.131212088370738
- Formal Charge
- 0
- Physiological Charge
- -1
- pKa (strongest basic)
- -4.686132418476387
- pKa (strongest acidic)
- 7.321175362451282
- Number of Rings
- 3
- Rule of Five
- Yes
- Bioavailability
- Yes
- Ghose Filter
- Yes
- Veber's Rule
- No
- MDDR-like Rule
- No
External Links
- PubChem
- 5482042
- Chemistry Dashboard
- DTXSID70156886
- PeakForestCompound
- 000851
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
- Hydroxycoumarins
- Direct Parent Name
- 7,8-dihydroxycoumarins
- 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", "7,8-dihydroxycoumarin", "Aromatic heteropolycyclic compound", "Benzenoid", "Benzopyran", "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