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
Thumb
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
PropertyValueSource
Water Solubility1.9 mg/mLALOGPS
logP2.5ALOGPS
logP1.94ChemAxon
logS-1.9ALOGPS
pKa (Strongest Acidic)16.86ChemAxon
pKa (Strongest Basic)-2ChemAxon
Physiological Charge0ChemAxon
Hydrogen Acceptor Count1ChemAxon
Hydrogen Donor Count1ChemAxon
Polar Surface Area20.23 Å2ChemAxon
Rotatable Bond Count2ChemAxon
Refractivity48.26 m3·mol-1ChemAxon
Polarizability18.19 Å3ChemAxon
Number of Rings1ChemAxon
Bioavailability1ChemAxon
Rule of FiveYesChemAxon
Ghose FilterNoChemAxon
Veber's RuleYesChemAxon
MDDR-like RuleNoChemAxon