8,9-dihydroxy-p-menthan-7-oic acid glucuronide III
Showing entry for 8,9-dihydroxy-p-menthan-7-oic acid glucuronide III
Identification
- PhytoHub ID
- PHUB002626
- Name
- 8,9-dihydroxy-p-menthan-7-oic acid glucuronide III
- Systematic Name
- 8,9-dihydroxy-p-menthan-7-oic acid glucuronide
- Synonyms
- 8,9-dihydroxy-p-menthanoic-7-glucuronide
- CAS Number
- Not Available
- Average Mass
- 378.374
- Monoisotopic Mass
- 378.152597037
- Chemical Formula
- C16H26O10
- IUPAC Name
- 5-[4-(1,2-dihydroxypropan-2-yl)cyclohexanecarbonyloxy]-3,4,6-trihydroxyoxane-2-carboxylic acid
- InChI Key
- SPBGAERACWXZRX-UHFFFAOYNA-N
- InChI Identifier
InChI=1/C16H26O10/c1-16(24,6-17)8-4-2-7(3-5-8)14(22)26-12-10(19)9(18)11(13(20)21)25-15(12)23/h7-12,15,17-19,23-24H,2-6H2,1H3,(H,20,21)
- SMILES
CC(O)(CO)C1CCC(CC1)C(=O)OC1C(O)OC(C(O)C1O)C(O)=O
- Structure
Calculated Properties
- Solubility (ALOGPS)
- 2.13e+01 g/l
- LogS (ALOGPS)
- -1.25
- LogP (ALOGPS)
- -1.12
- Hydrogen Acceptors
- 9
- Hydrogen Donors
- 6
- Rotatable Bond Count
- 6
- Polar Surface Area
- 173.98
- Refractivity
- 83.14549999999998
- Polarizability
- 37.24721438604897
- Formal Charge
- 0
- Physiological Charge
- -1
- pKa (strongest basic)
- -3.0715280078956315
- pKa (strongest acidic)
- 3.2465147767693527
- 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 | 8,9-dihydroxy-p-menthan-7-oic acid glucuronide III | mouse rat | Not Available | unknown | Not Available | Not Available | Not Available | C16H26O10 | 378.152597037 | Publications |
Inter-Individual Variations Metabolism
Precursor | Metabolite | Effect | Value | |||
---|---|---|---|---|---|---|
Limonene | 8,9-dihydroxy-p-menthan-7-oic acid glucuronide III | BMI | Not studied | |||
Limonene | 8,9-dihydroxy-p-menthan-7-oic acid glucuronide III | Smoking | Not studied | |||
Limonene | 8,9-dihydroxy-p-menthan-7-oic acid glucuronide III | Ethnicity | Not studied | |||
Limonene | 8,9-dihydroxy-p-menthan-7-oic acid glucuronide III | Genotype | Not studied | |||
Limonene | 8,9-dihydroxy-p-menthan-7-oic acid glucuronide III | Microbiota | Not studied | |||
Limonene | 8,9-dihydroxy-p-menthan-7-oic acid glucuronide III | Sex | Not studied | |||
Limonene | 8,9-dihydroxy-p-menthan-7-oic acid glucuronide III | Age | Not studied | |||
Limonene | 8,9-dihydroxy-p-menthan-7-oic acid glucuronide III | Health-Status | Not studied |