Identification

PhytoHub ID
PHUB001933
Name
Urolithin M7R
Systematic Name
Not Available
Synonyms
  • 4,8,10 trihydroxy urolithin
CAS Number
Not Available
Average Mass
244.202
Monoisotopic Mass
244.037173358
Chemical Formula
C13H8O5
IUPAC Name
4,8,10-trihydroxy-6H-benzo[c]chromen-6-one
InChI Key
QDNNGFSCGOXJFB-UHFFFAOYSA-N
InChI Identifier
InChI=1S/C13H8O5/c14-6-4-8-11(10(16)5-6)7-2-1-3-9(15)12(7)18-13(8)17/h1-5,14-16H
SMILES
OC1=CC2=C(C(O)=C1)C1=C(OC2=O)C(O)=CC=C1
Structure

Calculated Properties

Solubility (ALOGPS)
4.86e-01 g/l
LogS (ALOGPS)
-2.70
LogP (ALOGPS)
2.10
Hydrogen Acceptors
4
Hydrogen Donors
3
Rotatable Bond Count
0
Polar Surface Area
86.99000000000001
Refractivity
62.881800000000005
Polarizability
22.99344158087212
Formal Charge
0
Physiological Charge
-1
pKa (strongest basic)
-4.368264105979227
pKa (strongest acidic)
6.921284907201889
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 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 M7Rhumanfecesgut microbiota metaboliteNot AvailableNot AvailableNot AvailableC13H8O5244.037173358 Detailed Intervention Studies

Inter-Individual Variations in Metabolism

Food PhytochemicalMetaboliteEffectValue
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