metabolite

Showing entry for 7,8-Dihydroxymenthol-3-glucuronide

Identification

PhytoHub ID
PHUB003083
Name
7,8-Dihydroxymenthol-3-glucuronide
Systematic Name
p-menthane-7,8-diol-3-glucuronide
Synonyms
Not Available
CAS Number
Not Available
Average Mass
348.392
Monoisotopic Mass
348.178417862
Chemical Formula
C16H28O8
IUPAC Name
3,4-dihydroxy-5-{[5-(hydroxymethyl)-2-(2-hydroxypropan-2-yl)cyclohexyl]oxy}oxane-2-carboxylic acid
InChI Key
BCPFCWACFQVHTQ-UHFFFAOYNA-N
InChI Identifier
InChI=1/C16H28O8/c1-16(2,22)9-4-3-8(6-17)5-10(9)24-11-7-23-14(15(20)21)13(19)12(11)18/h8-14,17-19,22H,3-7H2,1-2H3,(H,20,21)
SMILES
CC(C)(O)C1CCC(CO)CC1OC1COC(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
82.2851
Polarizability
36.22401999570227
Formal Charge
0
Physiological Charge
-1
pKa (strongest basic)
-2.594485447901155
pKa (strongest acidic)
3.3222424538821365
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

Spectra from Phytohub

Spectrum TypeInstrument TypeIon ModeCollision Energy LevelViewPeaks

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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