Identification

PhytoHub ID
PHUB002620
Name
Limonene-1,2-diol glucuronide II
Systematic Name
p-menth-8-en-1,2-diol glucuronide
Synonyms
  • p-menth-8-en-2-ol-1-glucuronide
CAS Number
Not Available
Average Mass
346.376
Monoisotopic Mass
346.162767797
Chemical Formula
C16H26O8
IUPAC Name
3,4,5-trihydroxy-6-{[2-hydroxy-1-methyl-4-(prop-1-en-2-yl)cyclohexyl]oxy}oxane-2-carboxylic acid
InChI Key
LFYWFNNHNASMER-UHFFFAOYSA-N
InChI Identifier
InChI=1S/C16H28O8/c1-7(2)8-4-5-16(3,9(17)6-8)24-13-11(19)10(18)12(14(20)21)23-15(13)22/h7-13,15,17-19,22H,4-6H2,1-3H3,(H,20,21)
SMILES
CC(=C)C1CCC(C)(OC2OC(C(O)C(O)C2O)C(O)=O)C(O)C1
Structure

Calculated Properties

Solubility (ALOGPS)
Not Available
LogS (ALOGPS)
Not Available
LogP (ALOGPS)
Not Available
Hydrogen Acceptors
8
Hydrogen Donors
5
Rotatable Bond Count
4
Polar Surface Area
136.68
Refractivity
81.03159999999998
Polarizability
35.06304838126552
Formal Charge
0
Physiological Charge
-1
pKa (strongest basic)
-3.2459735734055246
pKa (strongest acidic)
3.5804122283807005
Number of Rings
2
Rule of Five
Yes
Bioavailability
Yes
Ghose Filter
Yes
Veber's Rule
No
MDDR-like Rule
No

Taxonomy as Metabolite

Family
Terpenoid metabolites
Class
Monoterpenoid metabolites
Sub-class
Not Available

Taxonomy of its Food Phytochemical Precursor(s)

Food PhytochemicalFamilyClassSub-class
LimoneneTerpenoidsMonoterpenoidsNot AvailableShow Food Phytochemical

Spectra from Online Resources

No spectra information available

Food Sources

No food source information available

Food Sources of its Food Phytochemical(s)

Role as Biomarker of intake

No roles as Biomarker of intake found

Metabolism

Food PhytochemicalMetaboliteSpeciesBiofluidsOriginTMaxCMaxUrinary ExcretionFormulaMonoisotopic mass
Limonene Limonene-1,2-diol glucuronide IImouse ratNot AvailableunknownNot AvailableNot AvailableNot AvailableC16H26O8346.162767797 Publications

Inter-Individual Variations in Metabolism

Food PhytochemicalMetaboliteEffectValue
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