Identification

PhytoHub ID
PHUB001394
Name
Urolithin B
Synonyms
  • monohydroxy-dibenzopyran-6-one
CAS Number
Not Available
Average Mass
212.2008
Monoisotopic Mass
212.047344122
Chemical Formula
C13H8O3
IUPAC Name
3-hydroxybenzo[c]chromen-6-one
InChI Key
WXUQMTRHPNOXBV-UHFFFAOYSA-N
InChI Identifier
InChI=1S/C13H8O3/c14-8-5-6-10-9-3-1-2-4-11(9)13(15)16-12(10)7-8/h1-7,14H
SMILES
OC1=CC2=C(C=C1)C1=C(C=CC=C1)C(=O)O2
Structure

Calculated Properties

Solubility (ALOGPS)
1.45e-01 g/l
LogS (ALOGPS)
-3.17
LogP (ALOGPS)
2.65
Hydrogen Acceptors
2
Hydrogen Donors
1
Rotatable Bond Count
0
Polar Surface Area
46.53
Refractivity
58.92000000000001
Polarizability
21.20969230785844
Formal Charge
0
Physiological Charge
0
pKa (strongest basic)
-7.050380245017417
pKa (strongest acidic)
7.67363835878753
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Precursor Taxonomy

PrecursorFamilyClassSub-class
Ellagic acidPolyphenolsPhenolic acidsHydroxybenzoic acidsShow Precursor

Spectra

No spectra information available

Metabolism

PrecursorMetaboliteSpeciesBiofluidsFormulaMonoisotopic mass
Ellagic acid Urolithin Bhumanplasma, urineC13H8O3212.047344122 Publications
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