Identification

PhytoHub ID
PHUB001929
Name
Urolithin M6R
Systematic Name
Not Available
Synonyms
  • 4,8,9,10 tertahydroxy urolithin
CAS Number
Not Available
Average Mass
260.201
Monoisotopic Mass
260.032087978
Chemical Formula
C13H8O6
IUPAC Name
4,8,9,10-tetrahydroxy-6H-benzo[c]chromen-6-one
InChI Key
KJYATAZQTTUJHP-UHFFFAOYSA-N
InChI Identifier
InChI=1S/C13H8O6/c14-7-3-1-2-5-9-6(13(18)19-12(5)7)4-8(15)10(16)11(9)17/h1-4,14-17H
SMILES
OC1=CC=CC2=C1OC(=O)C1=C2C(O)=C(O)C(O)=C1
Structure

Calculated Properties

Solubility (ALOGPS)
5.35e-01 g/l
LogS (ALOGPS)
-2.69
LogP (ALOGPS)
1.99
Hydrogen Acceptors
5
Hydrogen Donors
4
Rotatable Bond Count
0
Polar Surface Area
107.22000000000001
Refractivity
64.86270000000002
Polarizability
23.90348122562894
Formal Charge
0
Physiological Charge
-1
pKa (strongest basic)
-4.368511973509058
pKa (strongest acidic)
7.113231254175636
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", "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 Online Resources

No spectra information available

Role as Biomarker of intake

No roles as Biomarker of intake found

Metabolism

Food PhytochemicalMetaboliteSpeciesBiofluidsOriginTMaxCMaxUrinary ExcretionFormulaMonoisotopic mass
Ellagic acid Urolithin M6Rhumanfecesgut microbiota metaboliteNot AvailableNot AvailableNot AvailableC13H8O6260.032087978 Detailed Intervention Studies

Inter-Individual Variations in Metabolism

Food PhytochemicalMetaboliteEffectValue
Back