Showing Metabocard for perillyl alcohol (BASm0000355)
| Common Name | Perillyl alcohol |
|---|---|
| Description | Perillyl alcohol is a monoterpene isolated from the essential oils of lavendin, peppermint, spearmint, cherries, celery seeds, and several other plants. In animal studies it has been shown to regress pancreatic, mammary, and liver tumors, to exhibit possible application as a chemopreventative agent for colon, skin, and lung cancer, and as a chemotherapeutic agent for neuroblastoma, and prostate and colon cancer.(PMID:9855569 ). |
| Structure | |
| Molecular Formula | C10H16O |
| Average Mass | 152.23700 |
| Monoisotopic Mass | 152.12012 |
| IUPAC Name | [4-(prop-1-en-2-yl)cyclohex-1-en-1-yl]methanol |
| Traditional Name | Perillyl alcohol |
| CAS Registry Number | 536-59-4 |
| SMILES | C=C(C)C1CC=C(CO)CC1 |
| InChI Identifier | InChI=1S/C10H16O/c1-8(2)10-5-3-9(7-11)4-6-10/h3,10-11H,1,4-7H2,2H3 |
| InChI Key | NDTYTMIUWGWIMO-UHFFFAOYSA-N |
| CHEBI ID | CHEBI:15420 |
| HMDB ID | HMDB0003634 |
| State | Not Available |
| Water Solubility | 1.90e+00 g/l |
| logP | 2.50 |
| logS | -1.90 |
| pKa (Strongest Acidic) | 16.86 |
| pKa (Strongest Basic) | -1.99 |
| Hydrogen Acceptor Count | 1 |
| Hydrogen Donor Count | 1 |
| Polar Surface Area | 20.23 Ų |
| Rotatable Bond Count | 2 |
| Physiological Charge | 0 |
| Formal Charge | 0 |
| Refractivity | 48.26 m³·mol⁻¹ |
| Polarizability | 18.19 |