Perillyl glycine
Showing entry for Perillyl glycine
Identification
- PhytoHub ID
- PHUB000998
- Name
- Perillyl glycine
- Systematic Name
- p-mentha-1,8-dien-7-oic acid glycine
- Synonyms
- Not Available
- CAS Number
- Not Available
- Average Mass
- 223.272
- Monoisotopic Mass
- 223.120843411
- Chemical Formula
- C12H17NO3
- IUPAC Name
- 2-[(Z)-{hydroxy[4-(prop-1-en-2-yl)cyclohex-1-en-1-yl]methylidene}amino]acetic acid
- InChI Key
- BDECPMREPJQCEB-UHFFFAOYNA-N
- InChI Identifier
InChI=1/C12H17NO3/c1-8(2)9-3-5-10(6-4-9)12(16)13-7-11(14)15/h5,9H,1,3-4,6-7H2,2H3,(H,13,16)(H,14,15)
- SMILES
CC(=C)C1CCC(=CC1)C(\O)=N\CC(O)=O
- Structure
Structure for Perillyl glycine
Calculated Properties
- Solubility (ALOGPS)
- 4.06e-01 g/l
- LogS (ALOGPS)
- -2.74
- LogP (ALOGPS)
- 1.85
- Hydrogen Acceptors
- 4
- Hydrogen Donors
- 2
- Rotatable Bond Count
- 4
- Polar Surface Area
- 69.89
- Refractivity
- 61.52270000000001
- Polarizability
- 24.450320884589193
- Formal Charge
- 0
- Physiological Charge
- -1
- pKa (strongest basic)
- 2.3892687130588786
- pKa (strongest acidic)
- 3.9472808030942566
- 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 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
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 | Perillyl glycine | dog mouse rabbit rat | urine | Not Available | Not Available | Not Available | Not Available | C12H17NO3 | 223.120843411 | Publications |
Inter-Individual Variations Metabolism
| Food Phytochemical | Metabolite | Effect | Value | |||
|---|---|---|---|---|---|---|
| Limonene | Perillyl glycine | BMI | Not studied | |||
| Limonene | Perillyl glycine | Smoking | Not studied | |||
| Limonene | Perillyl glycine | Ethnicity | Not studied | |||
| Limonene | Perillyl glycine | Genotype | Not studied | |||
| Limonene | Perillyl glycine | Microbiota | Not studied | |||
| Limonene | Perillyl glycine | Sex | Not studied | |||
| Limonene | Perillyl glycine | Age | Not studied | |||
| Limonene | Perillyl glycine | Health-Status | Not studied |