hydroxy-p-menthan-7-oic acid glucuronide
precursor
Showing entry for hydroxy-p-menthan-7-oic acid glucuronide
Identification
- PhytoHub ID
- PHUB002613
- Name
- hydroxy-p-menthan-7-oic acid glucuronide
- Systematic Name
- 2-hydroxy-p-menthan-7-oic acid glucuronide
- Synonyms
- p-menthan-7-oic acid-2-glucuronide
- CAS Number
- Not Available
- Average Mass
- 362.375
- Monoisotopic Mass
- 362.157682417
- Chemical Formula
- C16H26O9
- IUPAC Name
- 6-{[2-carboxy-5-(propan-2-yl)cyclohexyl]oxy}-3,4,5-trihydroxyoxane-2-carboxylic acid
- InChI Key
- OBWBBCOOUVLURX-UHFFFAOYNA-N
- InChI Identifier
InChI=1/C16H26O9/c1-6(2)7-3-4-8(14(20)21)9(5-7)24-16-12(19)10(17)11(18)13(25-16)15(22)23/h6-13,16-19H,3-5H2,1-2H3,(H,20,21)(H,22,23)
- SMILES
CC(C)C1CCC(C(C1)OC1OC(C(O)C(O)C1O)C(O)=O)C(O)=O
- Structure
Structure for hydroxy-p-menthan-7-oic acid glucuronide
Calculated Properties
- Solubility (ALOGPS)
- Not Available
- LogS (ALOGPS)
- Not Available
- LogP (ALOGPS)
- Not Available
- Hydrogen Acceptors
- 9
- Hydrogen Donors
- 5
- Rotatable Bond Count
- 5
- Polar Surface Area
- 153.75
- Refractivity
- 81.3403
- Polarizability
- 36.00746694383338
- Formal Charge
- 0
- Physiological Charge
- -2
- pKa (strongest basic)
- -3.686499526302678
- pKa (strongest acidic)
- 3.297600972343084
- 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 Food Phytochemical
- Family
- Terpenoid metabolites
- Class
- Monoterpenoid metabolites
- Sub-class
- Not Available
Taxonomy as Metabolite
- Metabolite Family
- Not Available
- Metabolite Class
- Not Available
- Metabolite 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 | hydroxy-p-menthan-7-oic acid glucuronide | rat | Not Available | unknown | Not Available | Not Available | Not Available | C16H26O9 | 362.157682417 | Publications |
Inter-Individual Variations in Metabolism
| Food Phytochemical | Metabolite | Effect | Value |
|---|