metabolite

Showing entry for menthol-9-glucuronide

Identification

PhytoHub ID
PHUB003074
Name
menthol-9-glucuronide
Systematic Name
p-menthane-3-ol-9-glucuronide
Synonyms
Not Available
CAS Number
Not Available
Average Mass
348.392
Monoisotopic Mass
348.178417862
Chemical Formula
C16H28O8
IUPAC Name
3,4,5-trihydroxy-6-[2-(2-hydroxy-4-methylcyclohexyl)propoxy]oxane-2-carboxylic acid
InChI Key
GXELWJUYDJWXCJ-UHFFFAOYNA-N
InChI Identifier
InChI=1/C16H28O8/c1-7-3-4-9(10(17)5-7)8(2)6-23-16-13(20)11(18)12(19)14(24-16)15(21)22/h7-14,16-20H,3-6H2,1-2H3,(H,21,22)
SMILES
CC(COC1OC(C(O)C(O)C1O)C(O)=O)C1CCC(C)CC1O
Structure
Similar Structures

Calculated Properties

Solubility (ALOGPS)
Not Available
LogS (ALOGPS)
Not Available
LogP (ALOGPS)
Not Available
Hydrogen Acceptors
8
Hydrogen Donors
5
Rotatable Bond Count
5
Polar Surface Area
136.68
Refractivity
81.57770000000001
Polarizability
36.24454865490925
Formal Charge
0
Physiological Charge
Not Available
pKa (strongest basic)
-2.829263079030661
pKa (strongest acidic)
3.445401242487252
Number of Rings
2
Rule of Five
No
Bioavailability
No
Ghose Filter
No
Veber's Rule
No
MDDR-like Rule
No

Taxonomy as Metabolite

Family
Terpenoid metabolites
Class
Monoterpenoid metabolites
Sub-class
Not Available

Spectra from Phytohub

Food Sources

No food source information available

Food Sources of its Food Phytochemical(s)

No food source information available of its precursor(s)

Role as Biomarker of intake

No roles as Biomarker of intake found

Metabolism

No metabolism information available

Inter-Individual Variations in Metabolism

No data on inter-individual variations available

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