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
3,4,6-trihydroxy-5-{[2-hydroxy-1-methyl-4-(prop-1-en-2-yl)cyclohexyl]oxy}oxane-2-carboxylic acid
InChI Key
LFYWFNNHNASMER-UHFFFAOYNA-N
InChI Identifier
InChI=1/C16H26O8/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/h8-13,15,17-19,22H,1,4-6H2,2-3H3,(H,20,21)
SMILES
CC(=C)C1CCC(C)(OC2C(O)OC(C(O)C2O)C(O)=O)C(O)C1
Structure

Calculated Properties

Solubility (ALOGPS)
2.59e+01 g/l
LogS (ALOGPS)
-1.13
LogP (ALOGPS)
-0.53
Hydrogen Acceptors
8
Hydrogen Donors
5
Rotatable Bond Count
4
Polar Surface Area
136.68
Refractivity
81.0316
Polarizability
35.12852860499132
Formal Charge
0
Physiological Charge
-1
pKa (strongest basic)
-3.2439246344030512
pKa (strongest acidic)
3.5300409044561634
Number of Rings
2
Rule of Five
Yes
Bioavailability
Yes
Ghose Filter
No
Veber's Rule
No
MDDR-like Rule
No

Taxonomy as Metabolite

Family
Terpenoid metabolites
Class
Monoterpenoid metabolites
Sub-class
Not Available

Taxonomy of its Precursor(s)

PrecursorFamilyClassSub-class
LimoneneTerpenoidsMonoterpenoidsNot AvailableShow Precursor

Spectra from Online Resources

No spectra information available

Food Sources

No food source information available

Food Sources of its Precursor(s)

Metabolism

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

Inter-Individual Variations Metabolism

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