hydroxy-p-menthan-7-oic acid
Showing entry for hydroxy-p-menthan-7-oic acid
Identification
- PhytoHub ID
- PHUB002612
- Name
- hydroxy-p-menthan-7-oic acid
- Systematic Name
- 2-hydroxy-p-menthan-7-oic acid
- Synonyms
- Not Available
- CAS Number
- Not Available
- Average Mass
- 186.251
- Monoisotopic Mass
- 186.12559444
- Chemical Formula
- C10H18O3
- IUPAC Name
- 2-hydroxy-4-(propan-2-yl)cyclohexane-1-carboxylic acid
- InChI Key
- CEYDJYILNZYIBH-UHFFFAOYNA-N
- InChI Identifier
InChI=1/C10H18O3/c1-6(2)7-3-4-8(10(12)13)9(11)5-7/h6-9,11H,3-5H2,1-2H3,(H,12,13)
- SMILES
CC(C)C1CCC(C(O)C1)C(O)=O
- Structure
Structure for hydroxy-p-menthan-7-oic acid
Calculated Properties
- Solubility (ALOGPS)
- 8.42e+00 g/l
- LogS (ALOGPS)
- -1.34
- LogP (ALOGPS)
- 1.28
- Hydrogen Acceptors
- 3
- Hydrogen Donors
- 2
- Rotatable Bond Count
- 2
- Polar Surface Area
- 57.53
- Refractivity
- 49.059599999999996
- Polarizability
- 20.828546600414683
- Formal Charge
- 0
- Physiological Charge
- -1
- pKa (strongest basic)
- -2.9358285998406854
- pKa (strongest acidic)
- 4.71567309276215
- Number of Rings
- 1
- 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 | hydroxy-p-menthan-7-oic acid | rat | Not Available | unknown | Not Available | Not Available | Not Available | C10H18O3 | 186.12559444 | Publications |
Inter-Individual Variations Metabolism
| Precursor | Metabolite | Effect | Value | |||
|---|---|---|---|---|---|---|
| Limonene | hydroxy-p-menthan-7-oic acid | BMI | Not studied | |||
| Limonene | hydroxy-p-menthan-7-oic acid | Smoking | Not studied | |||
| Limonene | hydroxy-p-menthan-7-oic acid | Ethnicity | Not studied | |||
| Limonene | hydroxy-p-menthan-7-oic acid | Genotype | Not studied | |||
| Limonene | hydroxy-p-menthan-7-oic acid | Microbiota | Not studied | |||
| Limonene | hydroxy-p-menthan-7-oic acid | Sex | Not studied | |||
| Limonene | hydroxy-p-menthan-7-oic acid | Age | Not studied | |||
| Limonene | hydroxy-p-menthan-7-oic acid | Health-Status | Not studied |