Identification

PhytoHub ID
PHUB002613
Name
hydroxy-p-menthan-7-oic acid glucuronide
Systematic Name
2-hydroxy-p-menthan-7-oic acid glucuronide
Synonyms
  • p-menthan-7-oic acid-2-glucuronide
CAS Number
Not Available
Average Mass
362.375
Monoisotopic Mass
362.157682417
Chemical Formula
C16H26O9
IUPAC Name
5-{[2-carboxy-5-(propan-2-yl)cyclohexyl]oxy}-3,4,6-trihydroxyoxane-2-carboxylic acid
InChI Key
YMMUAFLTYVRZOI-UHFFFAOYNA-N
InChI Identifier
InChI=1/C16H26O9/c1-6(2)7-3-4-8(14(19)20)9(5-7)24-13-11(18)10(17)12(15(21)22)25-16(13)23/h6-13,16-18,23H,3-5H2,1-2H3,(H,19,20)(H,21,22)
SMILES
CC(C)C1CCC(C(C1)OC1C(O)OC(C(O)C1O)C(O)=O)C(O)=O
Structure

Calculated Properties

Solubility (ALOGPS)
1.90e+01 g/l
LogS (ALOGPS)
-1.28
LogP (ALOGPS)
0.06
Hydrogen Acceptors
9
Hydrogen Donors
5
Rotatable Bond Count
5
Polar Surface Area
153.75
Refractivity
81.3403
Polarizability
36.31977025254466
Formal Charge
0
Physiological Charge
-2
pKa (strongest basic)
-3.690899023358481
pKa (strongest acidic)
3.170169223886827
Number of Rings
2
Rule of Five
Yes
Bioavailability
Yes
Ghose Filter
No
Veber's Rule
No
MDDR-like Rule
No

Taxonomy as Precursor

Family
Terpenoid metabolites
Class
Monoterpenoid metabolites
Sub-class
Not Available

Taxonomy as Metabolite

Metabolite Family
Not Available
Metabolite Class
Not Available
Metabolite 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 hydroxy-p-menthan-7-oic acid glucuronideratNot AvailableunknownNot AvailableNot AvailableNot AvailableC16H26O9362.157682417 Publications
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