Limonene-8,9-diol glucuronide I
Showing entry for Limonene-8,9-diol glucuronide I
Identification
- PhytoHub ID
- PHUB002621
- Name
- Limonene-8,9-diol glucuronide I
- Systematic Name
- p-menth-1-en-8,9-diol glucuronide
- Synonyms
- p-menth-1-en-9-ol-8-glucuronide
- CAS Number
- Not Available
- Average Mass
- 346.376
- Monoisotopic Mass
- 346.162767797
- Chemical Formula
- C16H26O8
- IUPAC Name
- 3,4,6-trihydroxy-5-{[1-hydroxy-2-(4-methylcyclohex-3-en-1-yl)propan-2-yl]oxy}oxane-2-carboxylic acid
- InChI Key
- DLBMQMVLMWCROS-UHFFFAOYNA-N
- InChI Identifier
InChI=1/C16H26O8/c1-8-3-5-9(6-4-8)16(2,7-17)24-13-11(19)10(18)12(14(20)21)23-15(13)22/h3,9-13,15,17-19,22H,4-7H2,1-2H3,(H,20,21)
- SMILES
CC1=CCC(CC1)C(C)(CO)OC1C(O)OC(C(O)C1O)C(O)=O
- Structure
Structure for Limonene-8,9-diol glucuronide I
Calculated Properties
- Solubility (ALOGPS)
- 1.51e+01 g/l
- LogS (ALOGPS)
- -1.36
- LogP (ALOGPS)
- -0.38
- Hydrogen Acceptors
- 8
- Hydrogen Donors
- 5
- Rotatable Bond Count
- 5
- Polar Surface Area
- 136.68
- Refractivity
- 82.28629999999998
- Polarizability
- 34.80266443796811
- Formal Charge
- 0
- Physiological Charge
- -1
- pKa (strongest basic)
- -3.0763804490567006
- pKa (strongest acidic)
- 3.529196434521557
- 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 | Limonene-8,9-diol glucuronide I | human mouse rat | Not Available | unknown | Not Available | Not Available | Not Available | C16H26O8 | 346.162767797 | Publications |
Inter-Individual Variations Metabolism
| Precursor | Metabolite | Effect | Value | |||
|---|---|---|---|---|---|---|
| Limonene | Limonene-8,9-diol glucuronide I | BMI | Not studied | |||
| Limonene | Limonene-8,9-diol glucuronide I | Smoking | Not studied | |||
| Limonene | Limonene-8,9-diol glucuronide I | Ethnicity | Not studied | |||
| Limonene | Limonene-8,9-diol glucuronide I | Genotype | Not studied | |||
| Limonene | Limonene-8,9-diol glucuronide I | Microbiota | Not studied | |||
| Limonene | Limonene-8,9-diol glucuronide I | Sex | Not studied | |||
| Limonene | Limonene-8,9-diol glucuronide I | Age | Not studied | |||
| Limonene | Limonene-8,9-diol glucuronide I | Health-Status | Not studied |