Perillic acid-8,9-diol glucuronide
Showing entry for Perillic acid-8,9-diol glucuronide
Identification
- PhytoHub ID
- PHUB002705
- Name
- Perillic acid-8,9-diol glucuronide
- Systematic Name
- 8,9-dihydroxy-p-menth-1-en-7-oic acid glucuronide
- Synonyms
- 8,9-dihydroxy-p-menth-1-enoic-7-glucuronide
- CAS Number
- Not Available
- Average Mass
- 376.358
- Monoisotopic Mass
- 376.136946973
- Chemical Formula
- C16H24O10
- IUPAC Name
- 6-[4-(1,2-dihydroxypropan-2-yl)cyclohex-1-ene-1-carbonyloxy]-3,4,5-trihydroxyoxane-2-carboxylic acid
- InChI Key
- KEOMKUABFYZJJX-UHFFFAOYNA-N
- InChI Identifier
InChI=1/C16H24O10/c1-16(24,6-17)8-4-2-7(3-5-8)14(23)26-15-11(20)9(18)10(19)12(25-15)13(21)22/h2,8-12,15,17-20,24H,3-6H2,1H3,(H,21,22)
- SMILES
CC(O)(CO)C1CCC(=CC1)C(=O)OC1OC(C(O)C(O)C1O)C(O)=O
- Structure
Structure for Perillic acid-8,9-diol glucuronide
Calculated Properties
- Solubility (ALOGPS)
- 1.65e+01 g/l
- LogS (ALOGPS)
- -1.36
- LogP (ALOGPS)
- -1.12
- Hydrogen Acceptors
- 9
- Hydrogen Donors
- 6
- Rotatable Bond Count
- 6
- Polar Surface Area
- 173.98
- Refractivity
- 84.0214
- Polarizability
- 36.97604261186914
- Formal Charge
- 0
- Physiological Charge
- -1
- pKa (strongest basic)
- -3.0717695803393994
- pKa (strongest acidic)
- 3.399599857282488
- Number of Rings
- 2
- Rule of Five
- No
- Bioavailability
- Yes
- Ghose Filter
- No
- 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 | Perillic acid-8,9-diol glucuronide | mouse rat | Not Available | Not Available | Not Available | Not Available | Not Available | C16H24O10 | 376.136946973 | Publications |
Inter-Individual Variations Metabolism
| Precursor | Metabolite | Effect | Value | |||
|---|---|---|---|---|---|---|
| Limonene | Perillic acid-8,9-diol glucuronide | BMI | Not studied | |||
| Limonene | Perillic acid-8,9-diol glucuronide | Smoking | Not studied | |||
| Limonene | Perillic acid-8,9-diol glucuronide | Ethnicity | Not studied | |||
| Limonene | Perillic acid-8,9-diol glucuronide | Genotype | Not studied | |||
| Limonene | Perillic acid-8,9-diol glucuronide | Microbiota | Not studied | |||
| Limonene | Perillic acid-8,9-diol glucuronide | Sex | Not studied | |||
| Limonene | Perillic acid-8,9-diol glucuronide | Age | Not studied | |||
| Limonene | Perillic acid-8,9-diol glucuronide | Health-Status | Not studied |