8,9-dihydroxy-p-menthan-7-oic acid glucuronide II
precursor
Showing entry for 8,9-dihydroxy-p-menthan-7-oic acid glucuronide II
Identification
- PhytoHub ID
- PHUB002625
- Name
- 8,9-dihydroxy-p-menthan-7-oic acid glucuronide II
- Systematic Name
- 8,9-dihydroxy-p-menthan-7-oic acid glucuronide
- Synonyms
- 9-hydroxy-p-menthan-7-oic acid-8-glucuronide
- CAS Number
- Not Available
- Average Mass
- 378.374
- Monoisotopic Mass
- 378.152597037
- Chemical Formula
- C16H26O10
- IUPAC Name
- 5-{[2-(4-carboxycyclohexyl)-1-hydroxypropan-2-yl]oxy}-3,4,6-trihydroxyoxane-2-carboxylic acid
- InChI Key
- CWPLPZRPMLMEKV-UHFFFAOYNA-N
- InChI Identifier
InChI=1/C16H26O10/c1-16(6-17,8-4-2-7(3-5-8)13(20)21)26-12-10(19)9(18)11(14(22)23)25-15(12)24/h7-12,15,17-19,24H,2-6H2,1H3,(H,20,21)(H,22,23)
- SMILES
CC(CO)(OC1C(O)OC(C(O)C1O)C(O)=O)C1CCC(CC1)C(O)=O
- Structure
Structure for 8,9-dihydroxy-p-menthan-7-oic acid glucuronide II
Calculated Properties
- Solubility (ALOGPS)
- 2.05e+01 g/l
- LogS (ALOGPS)
- -1.27
- LogP (ALOGPS)
- -0.91
- Hydrogen Acceptors
- 10
- Hydrogen Donors
- 6
- Rotatable Bond Count
- 6
- Polar Surface Area
- 173.98
- Refractivity
- 83.12759999999999
- Polarizability
- 36.38065197700652
- Formal Charge
- 0
- Physiological Charge
- -2
- pKa (strongest basic)
- -3.076138975739452
- pKa (strongest acidic)
- 3.385761562304704
- 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 Precursor
- Family
- Terpenoid metabolites
- Class
- Monoterpenoid metabolites
- Sub-class
- Not Available
Spectra from Online Resources
No spectra information available
Food Sources
No food source information available
Metabolism
| Precursor | Metabolite | Species | Biofluids | Origin | TMax | CMax | Urinary Excretion | Formula | Monoisotopic mass | ||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Limonene | 8,9-dihydroxy-p-menthan-7-oic acid glucuronide II | 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 II | BMI | Not studied | |||
| Limonene | 8,9-dihydroxy-p-menthan-7-oic acid glucuronide II | Smoking | Not studied | |||
| Limonene | 8,9-dihydroxy-p-menthan-7-oic acid glucuronide II | Ethnicity | Not studied | |||
| Limonene | 8,9-dihydroxy-p-menthan-7-oic acid glucuronide II | Genotype | Not studied | |||
| Limonene | 8,9-dihydroxy-p-menthan-7-oic acid glucuronide II | Microbiota | Not studied | |||
| Limonene | 8,9-dihydroxy-p-menthan-7-oic acid glucuronide II | Sex | Not studied | |||
| Limonene | 8,9-dihydroxy-p-menthan-7-oic acid glucuronide II | Age | Not studied | |||
| Limonene | 8,9-dihydroxy-p-menthan-7-oic acid glucuronide II | Health-Status | Not studied |