Menthane (3,8-oxy-p-, 7-carboxylic acid)
Showing entry for Menthane (3,8-oxy-p-, 7-carboxylic acid)
Identification
- PhytoHub ID
- PHUB001017
- Name
- Menthane (3,8-oxy-p-, 7-carboxylic acid)
- Systematic Name
- Not Available
- Synonyms
- Not Available
- CAS Number
- Not Available
- Average Mass
- 184.235
- Monoisotopic Mass
- 184.109944375
- Chemical Formula
- C10H16O3
- IUPAC Name
- 8,8-dimethyl-7-oxabicyclo[4.2.0]octane-4-carboxylic acid
- InChI Key
- RIIGXCBSCSKGKB-UHFFFAOYSA-N
- InChI Identifier
InChI=1S/C10H16O3/c1-10(2)7-4-3-6(9(11)12)5-8(7)13-10/h6-8H,3-5H2,1-2H3,(H,11,12)
- SMILES
CC1(C)OC2CC(CCC12)C(O)=O
- Structure
Structure for Menthane (3,8-oxy-p-, 7-carboxylic acid)
Calculated Properties
- Solubility (ALOGPS)
- 4.64e+00 g/l
- LogS (ALOGPS)
- -1.60
- LogP (ALOGPS)
- 1.81
- Hydrogen Acceptors
- 3
- Hydrogen Donors
- 1
- Rotatable Bond Count
- 1
- Polar Surface Area
- 46.53
- Refractivity
- 47.3638
- Polarizability
- 20.31361804468659
- Formal Charge
- 0
- Physiological Charge
- -1
- pKa (strongest basic)
- -4.189646733687148
- pKa (strongest acidic)
- 4.565439804085872
- 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 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 |
|---|