metabolite

Showing entry for 9-hydroxymenthol-3-glucuronide

Identification

PhytoHub ID
PHUB003075
Name
9-hydroxymenthol-3-glucuronide
Systematic Name
p-menthane-9-ol-3-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-(1-hydroxypropan-2-yl)-5-methylcyclohexyl]oxy}oxane-2-carboxylic acid
InChI Key
YEMQWGMTPZNNPL-UHFFFAOYNA-N
InChI Identifier
InChI=1/C16H28O8/c1-7-3-4-9(8(2)6-17)10(5-7)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(CO)C1CCC(C)CC1OC1OC(C(O)C(O)C1O)C(O)=O
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
81.5777
Polarizability
36.083348450959164
Formal Charge
0
Physiological Charge
-1
pKa (strongest basic)
-2.5944853856513728
pKa (strongest acidic)
3.76640375703886
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

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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