Dihydrocarveol glucuronide
Showing entry for Dihydrocarveol glucuronide
Identification
- PhytoHub ID
- PHUB002628
- Name
- Dihydrocarveol glucuronide
- Systematic Name
- p-menth-8-en-6-ol glucuronide
- Synonyms
- p-mentha-1-en-6-ol glucuronide
- p-mentha-8-en-6-ol glucuronide
- CAS Number
- Not Available
- Average Mass
- 330.377
- Monoisotopic Mass
- 330.167853177
- Chemical Formula
- C16H26O7
- IUPAC Name
- 3,4,6-trihydroxy-5-{[2-methyl-5-(prop-1-en-2-yl)cyclohexyl]oxy}oxane-2-carboxylic acid
- InChI Key
- FPYOBONSMBLNDR-UHFFFAOYNA-N
- InChI Identifier
InChI=1/C16H26O7/c1-7(2)9-5-4-8(3)10(6-9)22-14-12(18)11(17)13(15(19)20)23-16(14)21/h8-14,16-18,21H,1,4-6H2,2-3H3,(H,19,20)
- SMILES
CC1CCC(CC1OC1C(O)OC(C(O)C1O)C(O)=O)C(C)=C
- Structure
Calculated Properties
- Solubility (ALOGPS)
- 1.54e+01 g/l
- LogS (ALOGPS)
- -1.33
- LogP (ALOGPS)
- 0.32
- Hydrogen Acceptors
- 7
- Hydrogen Donors
- 4
- Rotatable Bond Count
- 4
- Polar Surface Area
- 116.45
- Refractivity
- 79.50349999999999
- Polarizability
- 34.62272622998649
- Formal Charge
- 0
- Physiological Charge
- -1
- pKa (strongest basic)
- -3.6908870230062543
- pKa (strongest acidic)
- 3.5660619192097633
- 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
Spectra from Online Resources
No spectra information available
Food Sources
No food source information available
Metabolism
Precursor | Metabolite | Species | Biofluids | Origin | TMax | CMax | Urinary Excretion | Formula | Monoisotopic mass | ||||
---|---|---|---|---|---|---|---|---|---|---|---|---|---|
Limonene | Dihydrocarveol glucuronide | rat | Not Available | unknown | Not Available | Not Available | Not Available | C16H26O7 | 330.167853177 | Publications |
Inter-Individual Variations Metabolism
Precursor | Metabolite | Effect | Value | |||
---|---|---|---|---|---|---|
Limonene | Dihydrocarveol glucuronide | BMI | Not studied | |||
Limonene | Dihydrocarveol glucuronide | Smoking | Not studied | |||
Limonene | Dihydrocarveol glucuronide | Ethnicity | Not studied | |||
Limonene | Dihydrocarveol glucuronide | Genotype | Not studied | |||
Limonene | Dihydrocarveol glucuronide | Microbiota | Not studied | |||
Limonene | Dihydrocarveol glucuronide | Sex | Not studied | |||
Limonene | Dihydrocarveol glucuronide | Age | Not studied | |||
Limonene | Dihydrocarveol glucuronide | Health-Status | Not studied |