Metabolite Perillyl alcohol
- 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
Structure for Perillyl alcohol
- Synonyms
- Not Available
- UNII
- 319R5C7293
- CAS number
- 536-59-4
- Weight
- Average: 152.237
Monoisotopic: 152.120115135 - Chemical Formula
- C10H16O
- InChI Key
- NDTYTMIUWGWIMO-UHFFFAOYSA-N
- InChI
- InChI=1S/C10H16O/c1-8(2)10-5-3-9(7-11)4-6-10/h3,10-11H,1,4-7H2,2H3
- IUPAC Name
- [4-(prop-1-en-2-yl)cyclohex-1-en-1-yl]methanol
- SMILES
- CC(=C)C1CCC(CO)=CC1
- Reactions
- External Links
- Human Metabolome Database
- HMDB0003634
- ChemSpider
- 10362
- ChEBI
- 15420
- ChEMBL
- CHEMBL444711
- Wikipedia
- Perillyl_alcohol
- Predicted Properties
Property Value Source Water Solubility 1.9 mg/mL ALOGPS logP 2.5 ALOGPS logP 1.94 Chemaxon logS -1.9 ALOGPS pKa (Strongest Acidic) 16.86 Chemaxon pKa (Strongest Basic) -2 Chemaxon Physiological Charge 0 Chemaxon Hydrogen Acceptor Count 1 Chemaxon Hydrogen Donor Count 1 Chemaxon Polar Surface Area 20.23 Å2 Chemaxon Rotatable Bond Count 2 Chemaxon Refractivity 48.26 m3·mol-1 Chemaxon Polarizability 18.19 Å3 Chemaxon Number of Rings 1 Chemaxon Bioavailability 1 Chemaxon Rule of Five Yes Chemaxon Ghose Filter No Chemaxon Veber's Rule Yes Chemaxon MDDR-like Rule No Chemaxon