Showing entry for Menthol glucuronide
Identification
- PhytoHub ID
- PHUB001016
- Name
- Menthol glucuronide
- 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)-2-isopropyl-5-methylcyclohexyl]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
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
- 35.06491939228449
- Formal Charge
- 0
- Physiological Charge
- -1
- pKa (strongest basic)
- -3.686499362428963
- pKa (strongest acidic)
- 3.91105942596735
External Links
No external links
Precursor Taxonomy
Precursor | Family | Class | Sub-class | |
---|---|---|---|---|
Menthol | Terpenoids | Monoterpenoids | Not Available | Show Precursor |
Spectra
No spectra information available
Food Sources
Precursor | Food Source | Food Source Group | |||
---|---|---|---|---|---|
Menthol | Peppermint | Herbs and Spices | Publications | Show |
Metabolism
Precursor | Metabolite | Species | Biofluids | Formula | Monoisotopic mass | |||
---|---|---|---|---|---|---|---|---|
Menthol | Menthol glucuronide | human rat | plasma (major), urine (major) | C16H28O7 | 332.183503242 | Publications |