Identification

PhytoHub ID
PHUB002615
Name
hydroxy-p-menth-8-en-7-oic acid glucuronide II
Systematic Name
2-hydroxy-p-menth-8-en-7-oic acid glucuronide
Synonyms
  • p-menth-8-en-7-oic acid-2-glucuronide
CAS Number
Not Available
Average Mass
360.359
Monoisotopic Mass
360.142032353
Chemical Formula
C16H24O9
IUPAC Name
6-{[2-carboxy-5-(prop-1-en-2-yl)cyclohexyl]oxy}-3,4,5-trihydroxyoxane-2-carboxylic acid
InChI Key
XLWVJNQLXWPKOP-UHFFFAOYSA-N
InChI Identifier
InChI=1S/C16H24O9/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/h7-13,16-18,23H,1,3-5H2,2H3,(H,19,20)(H,21,22)
SMILES
CC(=C)C1CCC(C(C1)OC1OC(C(O)C(O)C1O)C(O)=O)C(O)=O
Structure

Calculated Properties

Solubility (ALOGPS)
Not Available
LogS (ALOGPS)
Not Available
LogP (ALOGPS)
Not Available
Hydrogen Acceptors
9
Hydrogen Donors
5
Rotatable Bond Count
5
Polar Surface Area
153.75
Refractivity
81.11779999999999
Polarizability
35.22359722117256
Formal Charge
0
Physiological Charge
-2
pKa (strongest basic)
-3.686499527311929
pKa (strongest acidic)
3.3019691431979563
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 hydroxy-p-menth-8-en-7-oic acid glucuronide IIratNot AvailableunknownNot AvailableNot AvailableNot AvailableC16H24O9360.142032353 Publications

Inter-Individual Variations in Metabolism

Food PhytochemicalMetaboliteEffectValue
Back