Perillyl alcohol
Showing entry for Perillyl alcohol
Identification
- PhytoHub ID
- PHUB000075
- Name
- Perillyl alcohol
- Synonyms
- Not Available
- CAS Number
- Not Available
- Average Mass
- 152.237
- Monoisotopic Mass
- 152.120115135
- Chemical Formula
- C10H16O
- IUPAC Name
- (-)-perillylalcohol
- InChI Key
- NDTYTMIUWGWIMO-UHFFFAOYSA-N
- InChI Identifier
InChI=1S/C10H16O/c1-8(2)10-5-3-9(7-11)4-6-10/h3,10-11H,1,4-7H2,2H3
- SMILES
CC(=C)C1CCC(CO)=CC1
- Structure
Calculated Properties
- Solubility (ALOGPS)
- 1.90e+00 g/l
- LogS (ALOGPS)
- -1.90
- LogP (ALOGPS)
- 2.50
- Hydrogen Acceptors
- 1
- Hydrogen Donors
- 1
- Rotatable Bond Count
- 2
- Polar Surface Area
- 20.23
- Refractivity
- 48.254999999999995
- Polarizability
- 18.186695411456675
- Formal Charge
- 0
- Physiological Charge
- 0
- pKa (strongest basic)
- -1.986736242852114
- pKa (strongest acidic)
- 16.85657008950134
External Links
- ChEBI
- 15420
- PubChem
- 10819
- Chemistry Dashboard
- DTXSID4052180
- MetaboLights
- MTBLC15420
- FooDB (Compounds)
- FDB014923
Precursor Taxonomy
| Precursor | Family | Class | Sub-class | |
|---|---|---|---|---|
| Limonene | Terpenoids | Monoterpenoids | Not Available | Show Precursor |
Spectra
| Record ID | Source | Description | View |
|---|---|---|---|
| JP000133 | MassBank | EI-B Spectrum - -, [M]+* | View Spectra |
| JP005732 | MassBank | EI-B Spectrum - -, [M]+* | View Spectra |
| JP006591 | MassBank | EI-B Spectrum - -, [M]+* | View Spectra |
| JP006607 | MassBank | EI-B Spectrum - -, [M]+* | View Spectra |
| JP006682 | MassBank | EI-B Spectrum - -, [M]+* | View Spectra |
| JP009069 | MassBank | EI-B Spectrum - -, [M]+* | View Spectra |
| JP010926 | MassBank | EI-B Spectrum - -, [M]+* | View Spectra |
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 | |||
|---|---|---|---|---|---|---|
| Limonene | Perillyl alcohol | human rat | urine | Publications |
Perillyl alcohol