2-hydroxy-p-menthan-7-oic acid
Showing entry for 2-hydroxy-p-menthan-7-oic acid
Identification
- PhytoHub ID
- PHUB002612
- Name
- 2-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-UHFFFAOYSA-N
- InChI Identifier
InChI=1S/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 2-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 Food Phytochemical Precursor(s)
| Food Phytochemical | Family | Class | Sub-class | |
|---|---|---|---|---|
| Limonene | Terpenoids | Monoterpenoids | Not Available | Show Food Phytochemical |
Spectra from Phytohub
Food Sources
No food source information available
Food Sources of its Food Phytochemical(s)
Role as Biomarker of intake
No roles as Biomarker of intake found