Menthane (3-hydroxy-p-, 9-carboxylic acid)
Showing entry for Menthane (3-hydroxy-p-, 9-carboxylic acid)
Identification
- PhytoHub ID
- PHUB001020
- Name
- Menthane (3-hydroxy-p-, 9-carboxylic acid)
- Systematic Name
- Not Available
- Synonyms
- 3-(2-hydroxy-4-methylcyclohexyl)butanoic acid
- CAS Number
- Not Available
- Average Mass
- 200.278
- Monoisotopic Mass
- 200.141244504
- Chemical Formula
- C11H20O3
- IUPAC Name
- 3-(2-hydroxy-4-methylcyclohexyl)butanoic acid
- InChI Key
- NDTYTMIUWGWIMO-SNVBAGLBSA-N
- InChI Identifier
InChI=1S/C11H20O3/c1-7-3-4-9(10(12)5-7)8(2)6-11(13)14/h7-10,12H,3-6H2,1-2H3,(H,13,14)
- SMILES
CC(CC(O)=O)C1CCC(C)CC1O
- Structure
Structure for Menthane (3-hydroxy-p-, 9-carboxylic acid)
Calculated Properties
- Solubility (ALOGPS)
- 2.97e+00 g/l
- LogS (ALOGPS)
- -1.83
- LogP (ALOGPS)
- 1.87
- Hydrogen Acceptors
- 3
- Hydrogen Donors
- 2
- Rotatable Bond Count
- 3
- Polar Surface Area
- 57.53
- Refractivity
- 53.71169999999999
- Polarizability
- 22.456758270410234
- Formal Charge
- 0
- Physiological Charge
- -1
- pKa (strongest basic)
- -0.7851752851873925
- pKa (strongest acidic)
- 4.8534575508423154
- 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 Food Phytochemical Precursor(s)
| Food Phytochemical | Family | Class | Sub-class | |
|---|---|---|---|---|
| (-)-Menthol | Terpenoids | Monoterpenoids | Not Available | Show Food Phytochemical |
Spectra from Phytohub
| Spectrum Type | Instrument Type | Ion Mode | Collision Energy Level | View | Peaks | |
|---|---|---|---|---|---|---|
Food Sources
No food source information available
Food Sources of its Food Phytochemical(s)
| Food Phytochemical | Food Source | Food Source Group | |||
|---|---|---|---|---|---|
| (-)-Menthol | Mint | Herbs and Spices | Publications | Show | |
| (-)-Menthol | Peppermint | Herbs and Spices | 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 |
|---|
Inter-Individual Variations in Metabolism
| Food Phytochemical | Metabolite | Effect | Value |
|---|