Perillyl-beta-D-glucuronide
Showing entry for Perillyl-beta-D-glucuronide
Identification
- PhytoHub ID
- PHUB002631
- Name
- Perillyl-beta-D-glucuronide
- Systematic Name
- p-mentha-1,8-dien-7-ol glucuronide
- Synonyms
- p-mentha-1,8-dienol-7-glucuronide
- CAS Number
- Not Available
- Average Mass
- 328.361
- Monoisotopic Mass
- 328.152203113
- Chemical Formula
- C16H24O7
- IUPAC Name
- (2S,3S,4S,5R,6R)-3,4,5-trihydroxy-6-{[4-(prop-1-en-2-yl)cyclohex-1-en-1-yl]methoxy}oxane-2-carboxylic acid
- InChI Key
- USSVDYQHMLZFBY-NDDASSSGNA-N
- InChI Identifier
InChI=1/C16H24O7/c1-8(2)10-5-3-9(4-6-10)7-22-16-13(19)11(17)12(18)14(23-16)15(20)21/h3,10-14,16-19H,1,4-7H2,2H3,(H,20,21)/t10?,11-,12-,13+,14-,16+/s2
- SMILES
CC(=C)C1CCC(CO[[email protected]@H]2O[[email protected]@H]([[email protected]@H](O)[[email protected]](O)[[email protected]]2O)C(O)=O)=CC1
- Structure
Structure for Perillyl-beta-D-glucuronide
Calculated Properties
- Solubility (ALOGPS)
- 1.34e+01 g/l
- LogS (ALOGPS)
- -1.39
- LogP (ALOGPS)
- 0.41
- Hydrogen Acceptors
- 7
- Hydrogen Donors
- 4
- Rotatable Bond Count
- 5
- Polar Surface Area
- 116.45000000000002
- Refractivity
- 80.53569999999999
- Polarizability
- 34.40854752066184
- Formal Charge
- 0
- Physiological Charge
- -1
- pKa (strongest basic)
- -3.6865000329172193
- pKa (strongest acidic)
- 3.5847715966694316
- 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 Precursor(s)
| Precursor | Family | Class | Sub-class | |
|---|---|---|---|---|
| Limonene | Terpenoids | Monoterpenoids | Not Available | Show Precursor |
Spectra from Online Resources
No spectra information available
Food Sources
No food source information available
Food Sources of its Precursor(s)
| Precursor | Food Source | Food Source Group | |||
|---|---|---|---|---|---|
| Limonene | Apple | Fruit, Pomes | Publications | Show | |
| Limonene | Dill | Herbs and Spices | Show | ||
| Limonene | Ginseng | Herbs and Spices | Publications | Show | |
| Limonene | Grape | Fruit, Berries | Publications | Show | |
| Limonene | Grape wine | Beverages, Alcoholic | Publications | Show | |
| Limonene | Lemon | Fruit, Citrus | Publications | Show | |
| Limonene | Mandarin orange (Clementine, Tangerine) | Fruit, Citrus | Publications | Show | |
| Limonene | Mint | Herbs and Spices | Publications | Show | |
| Limonene | Nutmeg | Herbs and Spices | Show | ||
| Limonene | Orange juice | Beverages, Non-alcoholic | Publications | Show | |
| Limonene | Pepper | Herbs and Spices | Show | ||
| Limonene | Peppermint | Herbs and Spices | Publications | Show | |
| Limonene | Star anise | Herbs and Spices | Publications | Show | |
| Limonene | Sweet orange | Fruit, Citrus | Publications | Show |
Metabolism
| Precursor | Metabolite | Species | Biofluids | Origin | TMax | CMax | Urinary Excretion | Formula | Monoisotopic mass | ||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Limonene | Perillyl-beta-D-glucuronide | Not Available | Not Available | unknown | Not Available | Not Available | Not Available | C16H24O7 | 328.152203113 | Publications |
Inter-Individual Variations Metabolism
| Precursor | Metabolite | Effect | Value | |||
|---|---|---|---|---|---|---|
| Limonene | Perillyl-beta-D-glucuronide | BMI | Not studied | |||
| Limonene | Perillyl-beta-D-glucuronide | Smoking | Not studied | |||
| Limonene | Perillyl-beta-D-glucuronide | Ethnicity | Not studied | |||
| Limonene | Perillyl-beta-D-glucuronide | Genotype | Not studied | |||
| Limonene | Perillyl-beta-D-glucuronide | Microbiota | Not studied | |||
| Limonene | Perillyl-beta-D-glucuronide | Sex | Not studied | |||
| Limonene | Perillyl-beta-D-glucuronide | Age | Not studied | |||
| Limonene | Perillyl-beta-D-glucuronide | Health-Status | Not studied |