hydroxy-p-menth-8-en-7-oic acid glycine II
Showing entry for hydroxy-p-menth-8-en-7-oic acid glycine II
Identification
- PhytoHub ID
- PHUB002617
- Name
- hydroxy-p-menth-8-en-7-oic acid glycine II
- Systematic Name
- 2-hydroxy-p-menth-8-en-7-oic acid glycine
- Synonyms
- p-menth-8-en-7-oic acid-2-glycine
- CAS Number
- Not Available
- Average Mass
- 241.287
- Monoisotopic Mass
- 241.131408096
- Chemical Formula
- C12H19NO4
- IUPAC Name
- 2-[(carboxymethyl)amino]-4-(prop-1-en-2-yl)cyclohexane-1-carboxylic acid
- InChI Key
- FYTKPOBWNNNMOU-UHFFFAOYSA-N
- InChI Identifier
InChI=1S/C12H19NO4/c1-7(2)8-3-4-9(12(16)17)10(5-8)13-6-11(14)15/h8-10,13H,1,3-6H2,2H3,(H,14,15)(H,16,17)
- SMILES
CC(=C)C1CCC(C(C1)NCC(O)=O)C(O)=O
- Structure
Structure for hydroxy-p-menth-8-en-7-oic acid glycine II
Calculated Properties
- Solubility (ALOGPS)
- 5.46e+00 g/l
- LogS (ALOGPS)
- -1.65
- LogP (ALOGPS)
- -0.65
- Hydrogen Acceptors
- 5
- Hydrogen Donors
- 3
- Rotatable Bond Count
- 5
- Polar Surface Area
- 86.63
- Refractivity
- 61.3538
- Polarizability
- 25.569850468719242
- Formal Charge
- 0
- Physiological Charge
- -1
- pKa (strongest basic)
- 11.384729643910491
- pKa (strongest acidic)
- 1.931824466069225
- Number of Rings
- 1
- Rule of Five
- Yes
- Bioavailability
- Yes
- Ghose Filter
- No
- 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 Online Resources
No spectra information available
Spectra from Phytohub
|
Food Sources
No food source information available
Food Sources of its Food Phytochemical(s)
| Food Phytochemical | 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 |
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 | ||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Limonene | hydroxy-p-menth-8-en-7-oic acid glycine II | rat | Not Available | unknown | Not Available | Not Available | Not Available | C12H19NO4 | 241.131408096 | Publications |
Inter-Individual Variations in Metabolism
| Food Phytochemical | Metabolite | Effect | Value |
|---|