NAV

Perillyl alcohol

This drug entry is a stub and has not been fully annotated. It is scheduled to be annotated soon.

Identification

Generic Name
Perillyl alcohol
DrugBank Accession Number
DB15289
Background

Perillyl alcohol is under investigation in clinical trial NCT02704858 (Safety and Efficacy Study in Recurrent Grade IV Glioma).

Type
Small Molecule
Groups
Investigational
Structure
3D
Similar Structures
Weight
Average: 152.237
Monoisotopic: 152.120115135
Chemical Formula
C10H16O
Synonyms
  • (±)-1-CYCLOHEXENE-1-METHANOL, 4-(1-METHYLETHENYL)-
  • (±)-PERILLYL ALCOHOL
  • 1-CYCLOHEXENE-1-METHANOL, 4-(1-METHYLETHENYL)-
  • DIHYDROCUMINIC ALCOHOL
  • DIHYDROCUMINYL ALCOHOL
  • DL-PERILLYL ALCOHOL
  • HYDROCUMIN ALCOHOL
  • P-MENTHA-1,8-DIEN-7-OL
  • Perilla alcohol
External IDs
  • NEO100
  • NSC-641066
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Pharmacology

Indication

Not Available

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Contraindications & Blackbox Warnings
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Pharmacodynamics

Not Available

Mechanism of action
Not Available
Absorption

Not Available

Volume of distribution

Not Available

Protein binding

Not Available

Metabolism
Not Available
Route of elimination

Not Available

Half-life

Not Available

Clearance

Not Available

Adverse Effects
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Toxicity

Not Available

Pathways
Not Available
Pharmacogenomic Effects/ADRs Browse all" title="About SNP Mediated Effects/ADRs" id="snp-actions-info" class="drug-info-popup" href="javascript:void(0);">
Not Available

Interactions

Drug Interactions Learn More" title="About Drug Interactions" id="structured-interactions-info" class="drug-info-popup" href="javascript:void(0);">
This information should not be interpreted without the help of a healthcare provider. If you believe you are experiencing an interaction, contact a healthcare provider immediately. The absence of an interaction does not necessarily mean no interactions exist.
DrugInteraction
Integrate drug-drug
interactions in your software
AmbroxolThe risk or severity of methemoglobinemia can be increased when Perillyl alcohol is combined with Ambroxol.
ArticaineThe risk or severity of methemoglobinemia can be increased when Perillyl alcohol is combined with Articaine.
BenzocaineThe risk or severity of methemoglobinemia can be increased when Perillyl alcohol is combined with Benzocaine.
Benzyl alcoholThe risk or severity of methemoglobinemia can be increased when Perillyl alcohol is combined with Benzyl alcohol.
BupivacaineThe risk or severity of methemoglobinemia can be increased when Perillyl alcohol is combined with Bupivacaine.
Food Interactions
Not Available

Categories

Drug Categories
Classification
Not classified
Affected organisms
Not Available

Chemical Identifiers

UNII
3UL4QIY642
CAS number
18457-55-1
InChI Key
NDTYTMIUWGWIMO-SNVBAGLBSA-N
InChI
InChI=1S/C10H16O/c1-8(2)10-5-3-9(7-11)4-6-10/h3,10-11H,1,4-7H2,2H3/t10-/m1/s1
IUPAC Name
[(4S)-4-(prop-1-en-2-yl)cyclohex-1-en-1-yl]methanol
SMILES
CC(=C)[C@H]1CCC(CO)=CC1

References

General References
Not Available
KEGG Compound
C02452
ChemSpider
327861
ChEBI
10782
ChEMBL
CHEMBL236687
ZINC
ZINC000003861538
Wikipedia
Perillyl_alcohol

Clinical Trials

Clinical Trials Learn More" title="About Clinical Trials" id="clinical-trials-info" class="drug-info-popup" href="javascript:void(0);">
PhaseStatusPurposeConditionsCount
2CompletedTreatmentBreast Cancer1
2CompletedTreatmentPancreatic Cancer1
2CompletedTreatmentPrecancerous Conditions1
2CompletedTreatmentProstate Cancer1
2RecruitingTreatmentResidual, Progressive or Recurrent Grade II or III Meningioma1

Pharmacoeconomics

Manufacturers
Not Available
Packagers
Not Available
Dosage Forms
Not Available
Prices
Not Available
Patents
Not Available

Properties

State
Not Available
Experimental Properties
Not Available
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
Polarizability18.25 Å3Chemaxon
Number of Rings1Chemaxon
Bioavailability1Chemaxon
Rule of FiveYesChemaxon
Ghose FilterNoChemaxon
Veber's RuleYesChemaxon
MDDR-like RuleNoChemaxon
Predicted ADMET Features
Not Available

Spectra

Mass Spec (NIST)
Not Available
Spectra
SpectrumSpectrum TypeSplash Key
Predicted GC-MS Spectrum - GC-MSPredicted GC-MSsplash10-007x-9400000000-0642824f11b9c7fd315d
Predicted MS/MS Spectrum - 10V, Positive (Annotated)Predicted LC-MS/MSsplash10-0006-9300000000-eb889423e86321568222
Predicted MS/MS Spectrum - 10V, Negative (Annotated)Predicted LC-MS/MSsplash10-0udi-0900000000-15011199bd68c8f3930d
Predicted MS/MS Spectrum - 20V, Positive (Annotated)Predicted LC-MS/MSsplash10-0006-9100000000-6303bb26afc061d39bc7
Predicted MS/MS Spectrum - 20V, Negative (Annotated)Predicted LC-MS/MSsplash10-001i-0900000000-e3073b982f99567a840a
Predicted MS/MS Spectrum - 40V, Positive (Annotated)Predicted LC-MS/MSsplash10-0036-9000000000-ce79a1145ad031b9e6ad
Predicted MS/MS Spectrum - 40V, Negative (Annotated)Predicted LC-MS/MSsplash10-0uxr-9200000000-0f5d4402b5cbf58f7697
Predicted 1H NMR Spectrum1D NMRNot Applicable
Predicted 13C NMR Spectrum1D NMRNot Applicable
Chromatographic Properties
Collision Cross Sections (CCS)
AdductCCS Value (Å2)Source typeSource
[M-H]-137.8625868
predicted
DarkChem Lite v0.1.0
[M-H]-138.99876
predicted
DeepCCS 1.0 (2019)
[M+H]+138.5937868
predicted
DarkChem Lite v0.1.0
[M+H]+141.79912
predicted
DeepCCS 1.0 (2019)
[M+Na]+138.1403868
predicted
DarkChem Lite v0.1.0
[M+Na]+150.59323
predicted
DeepCCS 1.0 (2019)

Drug created at May 20, 2019 15:08 / Updated at July 18, 2023 22:57