alpha-Pinene

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

Identification

Summary

alpha-Pinene is a mono-terpene indicated in combination with other plant-derived compounds for the treatment of bladder, kidney, and urinary stones.

Generic Name
alpha-Pinene
DrugBank Accession Number
DB15573
Background

Not Available

Type
Small Molecule
Groups
Experimental
Structure
Weight
Average: 136.238
Monoisotopic: 136.125200515
Chemical Formula
C10H16
Synonyms
  • (±)-2-pinene
  • (±)-α-pinene
  • 2-pinene
  • Acintene A
  • alpha-Pinene
  • pin-2(3)-ene
  • α-pinene
External IDs
  • FEMA No. 2902

Pharmacology

Indication

Not Available

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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
Not Available

Interactions

Drug Interactions
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.
Not Available
Food Interactions
Not Available

Products

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Mixture Products
NameIngredientsDosageRouteLabellerMarketing StartMarketing EndRegionImage
ROWACHOL CAPSULESalpha-Pinene (17 mg) + Borneol (5 mg) + Camphene (5 mg) + Eucalyptol (2 mg) + Levomenthol (32 mg) + Menthone (6 mg) + Olive oil (33 mg)CapsuleOralDCH AURIGA (MALAYSIA) SDN. BHD.2020-09-08Not applicableMalaysia flag
URINEX (Enteric-Coated) Soft Gelatin Capsulesalpha-Pinene (24.8 mg) + Anethole (4 mg) + Borneol (10 mg) + Camphene (15 mg) + Eucalyptol (3 mg) + Fenchone (4 mg) + beta-Pinene (6.2 mg)Capsule, gelatin coatedOralPharco Health Sdn. Bhd2020-09-08Not applicableMalaysia flag
โรวาคอลalpha-Pinene (13.6 mg) + Borneol (5 mg) + Camphene (5 mg) + Eucalyptol (2 mg) + Levomenthol (32 mg) + Menthone (6 mg) + beta-Pinene (3.4 mg)Capsuleบริษัท ดีซีเอช ออริกา (ประเทศไทย) จำกัด1986-09-25Not applicableThailand flag
โรวาทีเน็กalpha-Pinene (24.8 mg) + Anethole (4 mg) + Borneol (10 mg) + Camphene (15 mg) + Eucalyptol (3 mg) + Fenchone (4 mg) + beta-Pinene (6.2 mg)Capsuleบริษัท ดีซีเอช ออริกา (ประเทศไทย) จำกัด1987-05-22Not applicableThailand flag

Categories

Drug Categories
Classification
Not classified
Affected organisms
Not Available

Chemical Identifiers

UNII
JPF3YI7O34
CAS number
80-56-8
InChI Key
GRWFGVWFFZKLTI-UHFFFAOYSA-N
InChI
InChI=1S/C10H16/c1-7-4-5-8-6-9(7)10(8,2)3/h4,8-9H,5-6H2,1-3H3
IUPAC Name
2,6,6-trimethylbicyclo[3.1.1]hept-2-ene
SMILES
CC1=CCC2CC1C2(C)C

References

General References
  1. FDA Thailand: Rowatinex (Anethole, Borneol, Camphene, Eucalyptol, Fenchone, Alpha-Pinene, Beta-Pinene) Capsule [Link]
Human Metabolome Database
HMDB0035658
KEGG Compound
C09880
ChemSpider
6402
RxNav
2362183
ChEBI
36740
ChEMBL
CHEMBL442565
Wikipedia
Alpha-Pinene

Clinical Trials

Clinical Trials
PhaseStatusPurposeConditionsCount
1RecruitingBasic ScienceAlpha-pinene / THC1

Pharmacoeconomics

Manufacturers
Not Available
Packagers
Not Available
Dosage Forms
FormRouteStrength
CapsuleOral
Capsule, gelatin coatedOral
Capsule
Prices
Not Available
Patents
Not Available

Properties

State
Not Available
Experimental Properties
Not Available
Predicted Properties
PropertyValueSource
Water Solubility0.158 mg/mLALOGPS
logP3.66ALOGPS
logP2.8Chemaxon
logS-2.9ALOGPS
Physiological Charge0Chemaxon
Hydrogen Acceptor Count0Chemaxon
Hydrogen Donor Count0Chemaxon
Polar Surface Area0 Å2Chemaxon
Rotatable Bond Count0Chemaxon
Refractivity44.72 m3·mol-1Chemaxon
Polarizability17.22 Å3Chemaxon
Number of Rings2Chemaxon
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-MSsplash10-0079-3900000000-f1a2e0db65f2722f2ef7
GC-MS Spectrum - EI-BGC-MSsplash10-002f-9100000000-a60ab99ee5e5c7f8221e
GC-MS Spectrum - EI-BGC-MSsplash10-0006-9100000000-1005b74eeee7aefc15d2
Mass Spectrum (Electron Ionization)MSsplash10-0006-9000000000-9b0f9df98b1755fa0b1f
Predicted MS/MS Spectrum - 10V, Positive (Annotated)Predicted LC-MS/MSsplash10-000i-0900000000-63ff278d2583c107d02b
Predicted MS/MS Spectrum - 10V, Negative (Annotated)Predicted LC-MS/MSsplash10-000i-0900000000-add3ae6c1eaa614db1cf
Predicted MS/MS Spectrum - 20V, Negative (Annotated)Predicted LC-MS/MSsplash10-000i-0900000000-ce7b1ce60d7fcf92b1a9
Predicted MS/MS Spectrum - 20V, Positive (Annotated)Predicted LC-MS/MSsplash10-000i-0900000000-1f072be8189f31bfe624
Predicted MS/MS Spectrum - 40V, Negative (Annotated)Predicted LC-MS/MSsplash10-000i-0900000000-1ba71f6b91f03893e4fa
Predicted MS/MS Spectrum - 40V, Positive (Annotated)Predicted LC-MS/MSsplash10-05fr-0900000000-613f423024fc0e65552d
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]-129.5894023
predicted
DarkChem Lite v0.1.0
[M-H]-129.65993
predicted
DeepCCS 1.0 (2019)
[M+H]+132.64665
predicted
DeepCCS 1.0 (2019)
[M+Na]+141.75682
predicted
DeepCCS 1.0 (2019)

Drug created at November 28, 2019 20:21 / Updated at May 14, 2021 01:07