Identification

PhytoHub ID
PHUB001397
Name
Urolithin C-3-glucuronide
Synonyms
  • 8,9-dihydroxy-urolithin-3-glucuronide
  • Urolithin C-3-O-glucuronide
CAS Number
1268248-76-5
Average Mass
420.326
Monoisotopic Mass
420.069261335
Chemical Formula
C19H16O11
IUPAC Name
Not Available
InChI Key
DDAQYQCCOWZGDO-UHFFFAOYSA-N
InChI Identifier
InChI=1S/C19H16O11/c20-10-4-8-7-2-1-6(3-12(7)29-18(27)9(8)5-11(10)21)28-19-15(24)13(22)14(23)16(30-19)17(25)26/h1-5,13-16,19-24H,(H,25,26)
SMILES
OC1C(O)C(OC2=CC3=C(C=C2)C2=CC(O)=C(O)C=C2C(=O)O3)OC(C1O)C(O)=O
Structure

Calculated Properties

Solubility (ALOGPS)
1.97e+00 g/l
LogS (ALOGPS)
-2.33
LogP (ALOGPS)
0.60
Hydrogen Acceptors
Not Available
Hydrogen Donors
Not Available
Rotatable Bond Count
Not Available
Polar Surface Area
Not Available
Refractivity
Not Available
Polarizability
Not Available
Formal Charge
Not Available
Physiological Charge
Not Available
pKa (strongest basic)
Not Available
pKa (strongest acidic)
Not Available
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Precursor Taxonomy

PrecursorFamilyClassSub-class
Ellagic acidPolyphenolsPhenolic acidsHydroxybenzoic acidsShow Precursor

Spectra

No spectra information available

Metabolism

PrecursorMetaboliteSpeciesBiofluidsFormulaMonoisotopic mass
Ellagic acid Urolithin C-3-glucuronidehumanplasma, urineC19H16O11420.069261335 Publications
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