Perillyl glycine
Showing entry for Perillyl glycine
Identification
- PhytoHub ID
- PHUB000998
- Name
- Perillyl glycine
- Systematic Name
- Not Available
- Synonyms
- Not Available
- CAS Number
- Not Available
- Average Mass
- 223.272
- Monoisotopic Mass
- 223.120843411
- Chemical Formula
- C12H17NO3
- IUPAC Name
- {[4-(prop-1-en-2-yl)cyclohex-1-en-1-yl]formamido}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)NCC(O)=O
- Structure
Structure for Perillyl glycine
Calculated Properties
- Solubility (ALOGPS)
- 1.22e+00 g/l
- LogS (ALOGPS)
- -2.26
- LogP (ALOGPS)
- 1.55
- Hydrogen Acceptors
- 3
- Hydrogen Donors
- 2
- Rotatable Bond Count
- 4
- Polar Surface Area
- 66.4
- Refractivity
- 61.001
- Polarizability
- 23.87482688467307
- Formal Charge
- 0
- Physiological Charge
- -1
- pKa (strongest basic)
- -0.3160409913127255
- pKa (strongest acidic)
- 3.863860868748523
- 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
No spectra information available
Food Sources
| Precursor | Food Source | Food Source Group | |||
|---|---|---|---|---|---|
| Limonene | Apple | Fruit, Pomes | Publications | Show | |
| Limonene | Dill | Herbs and Spices | 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 | Nutmeg | Herbs and Spices | Show | ||
| Limonene | Orange juice | Beverages, Non-alcoholic | Publications | Show | |
| Limonene | Pepper | Herbs and Spices | Show | ||
| Limonene | Sweet orange | Fruit, Citrus | Publications | Show |
Metabolism
| Precursor | Metabolite | Species | Biofluids | Origin | TMax | CMax | Urinary Excretion | Formula | Monoisotopic mass | ||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Limonene | Perillyl glycine | dog rabbit rat | urine | Not Available | Not Available | Not Available | C12H17NO3 | 223.120843411 | Publications |
Inter-Individual Variations Metabolism
No inter-individual variations available