Identification

PhytoHub ID
PHUB002614
Name
hydroxy-p-menth-8-en-7-oic acid glucuronide I
Systematic Name
2-hydroxy-p-menth-8-en-7-oic acid glucuronide
Synonyms
  • 2-hydroxy-p-menth-8-enoic-7-glucuronide
CAS Number
Not Available
Average Mass
360.359
Monoisotopic Mass
360.142032353
Chemical Formula
C16H24O9
IUPAC Name
3,4,6-trihydroxy-5-[2-hydroxy-4-(prop-1-en-2-yl)cyclohexanecarbonyloxy]oxane-2-carboxylic acid
InChI Key
NCSVWGXSKBNEHZ-UHFFFAOYSA-N
InChI Identifier
InChI=1S/C16H24O9/c1-6(2)7-3-4-8(9(17)5-7)15(22)25-13-11(19)10(18)12(14(20)21)24-16(13)23/h7-13,16-19,23H,1,3-5H2,2H3,(H,20,21)
SMILES
CC(=C)C1CCC(C(O)C1)C(=O)OC1C(O)OC(C(O)C1O)C(O)=O
Structure

Calculated Properties

Solubility (ALOGPS)
2.67e+01 g/l
LogS (ALOGPS)
-1.13
LogP (ALOGPS)
-0.94
Hydrogen Acceptors
8
Hydrogen Donors
5
Rotatable Bond Count
5
Polar Surface Area
153.75
Refractivity
81.13569999999999
Polarizability
35.757736397842265
Formal Charge
0
Physiological Charge
-1
pKa (strongest basic)
-2.940566161583182
pKa (strongest acidic)
3.1206356520914507
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 Food Phytochemical Precursor(s)

Food PhytochemicalFamilyClassSub-class
LimoneneTerpenoidsMonoterpenoidsNot AvailableShow Food Phytochemical

Spectra from Phytohub

Spectrum TypeInstrument TypeIon ModeCollision Energy LevelViewPeaks

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 IratNot AvailableNot AvailableNot AvailableNot AvailableNot AvailableC16H24O9360.142032353 Publications

Inter-Individual Variations in Metabolism

Food PhytochemicalMetaboliteEffectValue
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