Identification

PhytoHub ID
PHUB001396
Name
Urolithin C
Synonyms
  • trihydroxy-dibenzopyran-6-one
CAS Number
Not Available
Average Mass
244.1996
Monoisotopic Mass
244.037173366
Chemical Formula
C13H8O5
IUPAC Name
3,8,9-trihydroxybenzo[c]chromen-6-one
InChI Key
HHXMEXZVPJFAIJ-UHFFFAOYSA-N
InChI Identifier
InChI=1S/C13H8O5/c14-6-1-2-7-8-4-10(15)11(16)5-9(8)13(17)18-12(7)3-6/h1-5,14-16H
SMILES
OC1=CC2=C(C=C1)C1=C(C=C(O)C(O)=C1)C(=O)O2
Structure

Calculated Properties

Solubility (ALOGPS)
3.89e-01 g/l
LogS (ALOGPS)
-2.80
LogP (ALOGPS)
2.26
Hydrogen Acceptors
4
Hydrogen Donors
3
Rotatable Bond Count
0
Polar Surface Area
86.99000000000001
Refractivity
62.881800000000005
Polarizability
23.209664131262947
Formal Charge
0
Physiological Charge
0
pKa (strongest basic)
-6.417792450207522
pKa (strongest acidic)
7.271662662636823
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Precursor Taxonomy

PrecursorFamilyClassSub-class
Ellagic acidPolyphenolsPhenolic acidsHydroxybenzoic acidsShow Precursor

Spectra

No spectra information available

Metabolism

PrecursorMetaboliteSpeciesBiofluidsFormulaMonoisotopic mass
Ellagic acid Urolithin Chumanplasma, urineC13H8O5244.037173366 Publications
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