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
5-{[2-carboxy-5-(prop-1-en-2-yl)cyclohexyl]oxy}-3,4,6-trihydroxyoxane-2-carboxylic acid
InChI Key
XLWVJNQLXWPKOP-UHFFFAOYNA-N
InChI Identifier
InChI=1/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)OC1C(O)OC(C(O)C1O)C(O)=O)C(O)=O
Structure

Calculated Properties

Solubility (ALOGPS)
2.57e+01 g/l
LogS (ALOGPS)
-1.15
LogP (ALOGPS)
-0.33
Hydrogen Acceptors
9
Hydrogen Donors
5
Rotatable Bond Count
5
Polar Surface Area
153.75
Refractivity
81.11779999999999
Polarizability
35.34548194633868
Formal Charge
0
Physiological Charge
-2
pKa (strongest basic)
-3.6908991555219166
pKa (strongest acidic)
3.1912431033032775
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 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 IIratNot AvailableunknownNot AvailableNot AvailableNot AvailableC16H24O9360.142032353 Publications
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