Identification

PhytoHub ID
PHUB001940
Name
Urolithin AR
Systematic Name
Not Available
Synonyms
  • 4,8 dihydroxy urolithin
CAS Number
Not Available
Average Mass
228.203
Monoisotopic Mass
228.042258738
Chemical Formula
C13H8O4
IUPAC Name
4,8-dihydroxy-6H-benzo[c]chromen-6-one
InChI Key
RQCIOPIDAACJPK-UHFFFAOYSA-N
InChI Identifier
InChI=1S/C13H8O4/c14-7-4-5-8-9-2-1-3-11(15)12(9)17-13(16)10(8)6-7/h1-6,14-15H
SMILES
OC1=CC2=C(C=C1)C1=C(OC2=O)C(O)=CC=C1
Structure

Calculated Properties

Solubility (ALOGPS)
2.76e-01 g/l
LogS (ALOGPS)
-2.92
LogP (ALOGPS)
1.67
Hydrogen Acceptors
3
Hydrogen Donors
2
Rotatable Bond Count
0
Polar Surface Area
66.76
Refractivity
60.90090000000001
Polarizability
22.155329353046845
Formal Charge
0
Physiological Charge
-1
pKa (strongest basic)
-4.365970153958104
pKa (strongest acidic)
7.290518568827842
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 PhytochemicalFamilyClassSub-class
Ellagic acidPolyphenolsPhenolic acidsHydroxybenzoic acidsShow 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", "Organooxygen compounds", "Oxacyclic compounds", "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", "Pyran", "Pyranone"]

Spectra from Phytohub

Spectrum TypeInstrument TypeIon ModeCollision Energy LevelViewPeaks

Role as Biomarker of intake

No roles as Biomarker of intake found

Metabolism

Food PhytochemicalMetaboliteSpeciesBiofluidsOriginTMaxCMaxUrinary ExcretionFormulaMonoisotopic mass
Ellagic acid Urolithin ARhumanfecesgut microbiota metaboliteNot AvailableNot AvailableNot AvailableC13H8O4228.042258738 Detailed Intervention Studies

Inter-Individual Variations in Metabolism

Food PhytochemicalMetaboliteEffectValue
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