Menthol glucuronide
Showing entry for Menthol glucuronide
Identification
- PhytoHub ID
- PHUB001016
- Name
- Menthol glucuronide
- Systematic Name
- Not Available
- Synonyms
- Not Available
- CAS Number
- Not Available
- Average Mass
- 332.393
- Monoisotopic Mass
- 332.183503242
- Chemical Formula
- C16H28O7
- IUPAC Name
- 3,4,5-trihydroxy-6-{[(2R)-5-methyl-2-(propan-2-yl)cyclohexyl]oxy}oxane-2-carboxylic acid
- InChI Key
- CLJGMBYGTHRUNF-PJOPELHJSA-N
- InChI Identifier
InChI=1S/C16H28O7/c1-7(2)9-5-4-8(3)6-10(9)22-16-13(19)11(17)12(18)14(23-16)15(20)21/h7-14,16-19H,4-6H2,1-3H3,(H,20,21)/t8?,9-,10?,11?,12?,13?,14?,16?/m1/s1
- SMILES
CC(C)[C@H]1CCC(C)CC1OC1OC(C(O)C(O)C1O)C(O)=O
- Structure
Structure for Menthol glucuronide
Calculated Properties
- Solubility (ALOGPS)
- 1.12e+01 g/l
- LogS (ALOGPS)
- -1.47
- LogP (ALOGPS)
- 1.00
- Hydrogen Acceptors
- 7
- Hydrogen Donors
- 4
- Rotatable Bond Count
- 4
- Polar Surface Area
- 116.45
- Refractivity
- 79.726
- Polarizability
- 35.013705478486735
- Formal Charge
- 0
- Physiological Charge
- -1
- pKa (strongest basic)
- -3.6864993624289633
- pKa (strongest acidic)
- 3.91105942596735
- Number of Rings
- 2
- Rule of Five
- Yes
- Bioavailability
- Yes
- Ghose Filter
- Yes
- Veber's Rule
- No
- MDDR-like Rule
- No
External Links
No external links
Taxonomy as Metabolite
- Family
- Terpenoid metabolites
- Class
- Monoterpenoid metabolites
- Sub-class
- Not Available
Taxonomy of its Food Phytochemical Precursor(s)
| Food Phytochemical | Family | Class | Sub-class | |
|---|---|---|---|---|
| (-)-Menthol | Terpenoids | Monoterpenoids | Not Available | Show Food Phytochemical |
Classyfire Taxonomy
- Kingdom Name
- Organic compounds
- Class
- Prenol lipids
- Super-class
- Lipids and lipid-like molecules
- Sub-class
- Terpene glycosides
- Direct Parent Name
- Terpene glycosides
- Alternative Parent Names
- ["Acetals", "Beta hydroxy acids and derivatives", "Carbonyl compounds", "Carboxylic acids", "Hydrocarbon derivatives", "Menthane monoterpenoids", "Monocarboxylic acids and derivatives", "Monocyclic monoterpenoids", "Monosaccharides", "O-glucuronides", "O-glycosyl compounds", "Organic oxides", "Oxacyclic compounds", "Oxanes", "Polyols", "Pyrans", "Secondary alcohols"]
- External Descriptor Annotations
- Not Available
- Substituent Names
- ["1-o-glucuronide", "Acetal", "Alcohol", "Aliphatic heteromonocyclic compound", "Beta-hydroxy acid", "Carbonyl group", "Carboxylic acid", "Carboxylic acid derivative", "Glucuronic acid or derivatives", "Glycosyl compound", "Hydrocarbon derivative", "Hydroxy acid", "Monocarboxylic acid or derivatives", "Monocyclic monoterpenoid", "Monosaccharide", "Monoterpenoid", "O-glucuronide", "O-glycosyl compound", "Organic oxide", "Organic oxygen compound", "Organoheterocyclic compound", "Organooxygen compound", "Oxacycle", "Oxane", "P-menthane monoterpenoid", "Polyol", "Pyran", "Secondary alcohol", "Terpene glycoside"]
Spectra from Online Resources
No spectra information available
Food Sources
No food source information available
Food Sources of its Food Phytochemical(s)
| Food Phytochemical | Food Source | Food Source Group | |||
|---|---|---|---|---|---|
| (-)-Menthol | Mint | Herbs and Spices | Publications | Show | |
| (-)-Menthol | Peppermint | Herbs and Spices | Publications | Show |
Role as Biomarker of intake
No roles as Biomarker of intake found
Metabolism
| Food Phytochemical | Metabolite | Species | Biofluids | Origin | TMax | CMax | Urinary Excretion | Formula | Monoisotopic mass | ||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| (-)-Menthol | Menthol glucuronide | human rat | plasma (major), urine (major) | Not Available | Not Available | Not Available | Not Available | C16H28O7 | 332.183503242 | Publications |
Inter-Individual Variations in Metabolism
| Food Phytochemical | Metabolite | Effect | Value |
|---|