hydroxy-p-menth-8-en-7-oic acid glycine I
Showing entry for hydroxy-p-menth-8-en-7-oic acid glycine I
Identification
- PhytoHub ID
- PHUB002616
- Name
- hydroxy-p-menth-8-en-7-oic acid glycine I
- Systematic Name
- 2-hydroxy-p-menth-8-en-7-oic acid glycine
- Synonyms
- 2-hydroxy-p-menth-8-enoic-7-glycine
- CAS Number
- Not Available
- Average Mass
- 227.26
- Monoisotopic Mass
- 227.115758031
- Chemical Formula
- C11H17NO4
- IUPAC Name
- [2-hydroxy-4-(prop-1-en-2-yl)cyclohexanecarbonyl]carbamic acid
- InChI Key
- CVDBZFRQEKWTLE-UHFFFAOYNA-N
- InChI Identifier
InChI=1/C11H17NO4/c1-6(2)7-3-4-8(9(13)5-7)10(14)12-11(15)16/h7-9,13H,1,3-5H2,2H3,(H,12,14)(H,15,16)
- SMILES
CC(=C)C1CCC(C(O)C1)C(=O)NC(O)=O
- Structure
Structure for hydroxy-p-menth-8-en-7-oic acid glycine I
Calculated Properties
- Solubility (ALOGPS)
- 1.39e+01 g/l
- LogS (ALOGPS)
- -1.21
- LogP (ALOGPS)
- 0.56
- Hydrogen Acceptors
- 4
- Hydrogen Donors
- 3
- Rotatable Bond Count
- 2
- Polar Surface Area
- 86.63000000000001
- Refractivity
- 57.079699999999995
- Polarizability
- 23.603408383872292
- Formal Charge
- 0
- Physiological Charge
- -1
- pKa (strongest basic)
- -2.924878648719875
- pKa (strongest acidic)
- 3.885283154226569
- 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
- Terpenoids
- Class
- Monoterpenoids
- 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-menth-8-en-7-oic acid glycine I | rat | Not Available | unknown | Not Available | Not Available | Not Available | C11H17NO4 | 227.115758031 | Publications |
Inter-Individual Variations Metabolism
| Precursor | Metabolite | Effect | Value | |||
|---|---|---|---|---|---|---|
| Limonene | hydroxy-p-menth-8-en-7-oic acid glycine I | BMI | Not studied | |||
| Limonene | hydroxy-p-menth-8-en-7-oic acid glycine I | Smoking | Not studied | |||
| Limonene | hydroxy-p-menth-8-en-7-oic acid glycine I | Ethnicity | Not studied | |||
| Limonene | hydroxy-p-menth-8-en-7-oic acid glycine I | Genotype | Not studied | |||
| Limonene | hydroxy-p-menth-8-en-7-oic acid glycine I | Microbiota | Not studied | |||
| Limonene | hydroxy-p-menth-8-en-7-oic acid glycine I | Sex | Not studied | |||
| Limonene | hydroxy-p-menth-8-en-7-oic acid glycine I | Age | Not studied | |||
| Limonene | hydroxy-p-menth-8-en-7-oic acid glycine I | Health-Status | Not studied |