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-UHFFFAOYNA-N
InChI Identifier
InChI=1/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 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-menth-8-en-7-oic acid glucuronide IratNot AvailableNot AvailableNot AvailableNot AvailableNot AvailableC16H24O9360.142032353 Publications
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