Identification

PhytoHub ID
PHUB001391
Name
Urolithin A
Synonyms
  • dihydroxy-dibenzopyran-6-one
CAS Number
1143-70-0
Average Mass
228.2002
Monoisotopic Mass
228.042258744
Chemical Formula
C13H8O4
IUPAC Name
3,8-dihydroxybenzo[c]chromen-6-one
InChI Key
RIUPLDUFZCXCHM-UHFFFAOYSA-N
InChI Identifier
InChI=1S/C13H8O4/c14-7-1-3-9-10-4-2-8(15)6-12(10)17-13(16)11(9)5-7/h1-6,14-15H
SMILES
OC1=CC2=C(C=C1)C1=C(C=C(O)C=C1)C(=O)O2
Structure

Calculated Properties

Solubility (ALOGPS)
2.63e-01 g/l
LogS (ALOGPS)
-2.94
LogP (ALOGPS)
2.16
Hydrogen Acceptors
3
Hydrogen Donors
2
Rotatable Bond Count
0
Polar Surface Area
66.76
Refractivity
60.90090000000001
Polarizability
22.258403045305855
Formal Charge
0
Physiological Charge
0
pKa (strongest basic)
-7.061837521358001
pKa (strongest acidic)
7.213762400702427
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Precursor Taxonomy

PrecursorFamilyClassSub-class
Ellagic acidPolyphenolsPhenolic acidsHydroxybenzoic acidsShow Precursor

Spectra

No spectra information available

Metabolism

PrecursorMetaboliteSpeciesBiofluidsFormulaMonoisotopic mass
Ellagic acid Urolithin Ahumanplasma, urineC13H8O4228.042258744 Publications
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