Limonene-10-ol-glucuronide
Showing entry for Limonene-10-ol-glucuronide
Identification
- PhytoHub ID
- PHUB000994
- Name
- Limonene-10-ol-glucuronide
- Systematic Name
- p-mentha-1,8-dien-10-ol glucuronide
- Synonyms
- p-mentha-1-en-10-ol glucuronide
- p-mentha-1,8-dien-10-glucuronide
- p-mentha-8-en-10-ol glucuronide
- CAS Number
- Not Available
- Average Mass
- 328.361
- Monoisotopic Mass
- 328.152203113
- Chemical Formula
- C16H24O7
- IUPAC Name
- 3,4,5-trihydroxy-6-{[2-(4-methylcyclohex-3-en-1-yl)prop-2-en-1-yl]oxy}oxane-2-carboxylic acid
- InChI Key
- CDSMSBUVCWHORP-UHFFFAOYSA-N
- InChI Identifier
InChI=1S/C16H24O7/c1-8-3-5-10(6-4-8)9(2)7-22-16-13(19)11(17)12(18)14(23-16)15(20)21/h3,10-14,16-19H,2,4-7H2,1H3,(H,20,21)
- SMILES
CC1=CCC(CC1)C(=C)COC1OC(C(O)C(O)C1O)C(O)=O
- Structure
Structure for Limonene-10-ol-glucuronide
Calculated Properties
- Solubility (ALOGPS)
- 1.35e+01 g/l
- LogS (ALOGPS)
- -1.39
- LogP (ALOGPS)
- 0.43
- Hydrogen Acceptors
- 7
- Hydrogen Donors
- 4
- Rotatable Bond Count
- 5
- Polar Surface Area
- 116.45
- Refractivity
- 80.53569999999999
- Polarizability
- 34.07671320731947
- Formal Charge
- 0
- Physiological Charge
- -1
- pKa (strongest basic)
- -3.686500032994943
- pKa (strongest acidic)
- 3.581747461443608
- 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 Food Phytochemical Precursor(s)
| Food Phytochemical | Family | Class | Sub-class | |
|---|---|---|---|---|
| Limonene | Terpenoids | Monoterpenoids | Not Available | Show Food Phytochemical |
Spectra from Online Resources
No spectra information available
Food Sources
No food source information available
Food Sources of its Food Phytochemical(s)
| Food Phytochemical | 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 |
Role as Biomarker of intake
No roles as Biomarker of intake found
Metabolism
| Food Phytochemical | Metabolite | Species | Biofluids | Origin | TMax | CMax | Urinary Excretion | Formula | Monoisotopic mass | ||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Limonene | Limonene-10-ol-glucuronide | dog human mouse rabbit rat | urine | Not Available | Not Available | Not Available | Not Available | C16H24O7 | 328.152203113 | Publications |
Inter-Individual Variations in Metabolism
| Food Phytochemical | Metabolite | Effect | Value |
|---|