Record Information
Version1.0
Created at2020-04-17 19:26:34 UTC
Updated at2020-12-07 19:11:52 UTC
CannabisDB IDCDB005272
Secondary Accession NumbersNot Available
Cannabis Compound Identification
Common Name(-)-α-Pinene
Description(-)-alpha-Pinene, also known as (1S,5S)-α-pinene or (±)-2-pinene, belongs to the class of organic compounds known as bicyclic monoterpenoids. These are monoterpenoids containing exactly 2 rings, which are fused to each other (-)-alpha-Pinene is possibly neutral (-)-alpha-Pinene is a potentially toxic compound. (-)-α-Pinene is expected to be in Cannabis as all living plants are known to produce and metabolize it.
Structure
Thumb
Synonyms
ValueSource
(1S)-2,6,6-Trimethylbicyclo[3.1.1]hept-2-eneChEBI
(1S,5S)-2,6,6-Trimethylbicyclo[3.1.1]hept-2-eneChEBI
(1S,5S)-alpha-PineneChEBI
(1S,5S)-a-PineneGenerator
(1S,5S)-Α-pineneGenerator
(-)-a-PineneGenerator
(-)-Α-pineneGenerator
(-)-(1S)-alpha-PineneHMDB
(-)-(1S)-Α-pineneHMDB
(-)-2-PineneHMDB
(1S)-(-)-alpha-PineneHMDB
(1S)-(-)-Α-pineneHMDB
(1S,5S)-(-)-alpha-PineneHMDB
(1S,5S)-(-)-Α-pineneHMDB
(S)-(-)-PineneHMDB
(S)-(-)-alpha-PineneHMDB
(S)-(-)-Α-pineneHMDB
(±)-2-pineneHMDB
(±)-alpha-pineneHMDB
(±)-α-pineneHMDB
1S-alpha-PineneHMDB
1S-Α-pineneHMDB
2,6,6-Trimethylbicyclo[3.1.1]hept-2-eneHMDB
2-PineneHMDB
alpha-PineneHMDB
Α-pineneHMDB
(-)-alpha-PineneHMDB
Chemical FormulaC10H16
Average Molecular Weight136.23
Monoisotopic Molecular Weight136.1252
IUPAC Name(1S,5S)-2,6,6-trimethylbicyclo[3.1.1]hept-2-ene
Traditional Name(-)-α-pinene
CAS Registry Number7785-26-4
SMILES
CC1=CC[C@H]2C[C@@H]1C2(C)C
InChI Identifier
InChI=1S/C10H16/c1-7-4-5-8-6-9(7)10(8,2)3/h4,8-9H,5-6H2,1-3H3/t8-,9-/m0/s1
InChI KeyGRWFGVWFFZKLTI-IUCAKERBSA-N
Chemical Taxonomy
Description Belongs to the class of organic compounds known as bicyclic monoterpenoids. These are monoterpenoids containing exactly 2 rings, which are fused to each other.
KingdomOrganic compounds
Super ClassLipids and lipid-like molecules
ClassPrenol lipids
Sub ClassMonoterpenoids
Direct ParentBicyclic monoterpenoids
Alternative Parents
Substituents
  • Pinane monoterpenoid
  • Bicyclic monoterpenoid
  • Branched unsaturated hydrocarbon
  • Polycyclic hydrocarbon
  • Cyclic olefin
  • Unsaturated aliphatic hydrocarbon
  • Unsaturated hydrocarbon
  • Olefin
  • Hydrocarbon
  • Aliphatic homopolycyclic compound
Molecular FrameworkAliphatic homopolycyclic compounds
External Descriptors
Ontology
Disposition

Route of exposure:

Source:

Biological location:

Role

Industrial application:

Biological role:

Physical Properties
StateLiquid
Experimental Properties
PropertyValueReference
Melting Point-62 °CNot Available
Boiling PointNot AvailableNot Available
Water SolubilityNot AvailableNot Available
logP4.48Not Available
Predicted Properties
PropertyValueSource
logP3.66ALOGPS
logP2.8ChemAxon
logS-2.9ALOGPS
Physiological Charge0ChemAxon
Hydrogen Acceptor Count0ChemAxon
Hydrogen Donor Count0ChemAxon
Polar Surface Area0 ŲChemAxon
Rotatable Bond Count0ChemAxon
Refractivity44.72 m³·mol⁻¹ChemAxon
Polarizability17.21 ųChemAxon
Number of Rings2ChemAxon
BioavailabilityYesChemAxon
Rule of FiveYesChemAxon
Ghose FilterNoChemAxon
Veber's RuleYesChemAxon
MDDR-like RuleNoChemAxon
Spectra
EI-MS/GC-MS
TypeDescriptionSplash KeyView
EI-MSMass Spectrum (Electron Ionization)splash10-0006-9100000000-329b1bf0a3a5098248cbSpectrum
MS/MS
TypeDescriptionSplash KeyView
Predicted MS/MSPredicted LC-MS/MS Spectrum - 10V, Positivesplash10-000i-0900000000-89e84f859d8f1f97d5c2Spectrum
Predicted MS/MSPredicted LC-MS/MS Spectrum - 20V, Positivesplash10-000i-0900000000-fb8d56b761aae12a505cSpectrum
Predicted MS/MSPredicted LC-MS/MS Spectrum - 40V, Positivesplash10-00dr-0900000000-bfe7e4ba927cd83956b4Spectrum
Predicted MS/MSPredicted LC-MS/MS Spectrum - 10V, Negativesplash10-000i-0900000000-5e150dd4370565464dadSpectrum
Predicted MS/MSPredicted LC-MS/MS Spectrum - 20V, Negativesplash10-000i-0900000000-5e150dd4370565464dadSpectrum
Predicted MS/MSPredicted LC-MS/MS Spectrum - 40V, Negativesplash10-00kr-0900000000-b5dcbaea24fd03f1cbf9Spectrum
NMR
TypeDescriptionView
1D NMR1H NMR SpectrumSpectrum
1D NMR13C NMR SpectrumSpectrum
Pathways
Pathways
Protein Targets
EnzymesNot Available
TransportersNot Available
Metal BindingsNot Available
ReceptorsNot Available
Transcriptional FactorsNot Available
Concentrations Data
Cannabis CultivarStatusValueReferenceDetails
8-Ball KushDetected and Quantified0.621 mg/g dry wt details
9 Lb HammerDetected and Quantified3.323 mg/g dry wt details
97 SageDetected and Quantified3.686 mg/g dry wt details
AdonisDetected and Quantified0.387 mg/g dry wt details
Alien DawgDetected and Quantified0.13 mg/g dry wt
    • Jiamin Zheng, Yil...
details
Alien Sour AppleDetected and Quantified1.471 mg/g dry wt details
Black BossDetected and Quantified0.973 mg/g dry wt details
Blue DreamDetected and Quantified0.639 mg/g dry wt details
Blue DreamDetected and Quantified0.679 mg/g dry wt details
Blue DreamDetected and Quantified4.343 mg/g dry wt details
Blue DreamDetected and Quantified5.196 mg/g dry wt details
Blue DreamDetected and Quantified4.2 +/- 1.3 mg/g dry wt details
Bob MarleyDetected and Quantified1.149 mg/g dry wt details
ChemdawgDetected and Quantified0.266 mg/g dry wt details
Chemdawg #4Detected and Quantified0.286 mg/g dry wt details
Chemdawg #4Detected and Quantified0.422 mg/g dry wt details
Cookies and CreamDetected and Quantified0.37 mg/g dry wt details
Cosmic LotusDetected and Quantified2.686 mg/g dry wt details
Crown OgDetected and Quantified0.3 +/- 0.3 mg/g dry wt details
Dairy QueenDetected and Quantified0.432 mg/g dry wt details
Dark Shadow HazeDetected and Quantified0.56 mg/g dry wt details
FLODetected and Quantified0.201 mg/g dry wt details
GabriolaDetected and Quantified0.58 mg/g dry wt
    • Jiamin Zheng, Yil...
details
GasDetected and Quantified0.5 +/- 0.3 mg/g dry wt details
GelatoDetected and Quantified1 +/- 0.1 mg/g dry wt details
GodfatherDetected and Quantified2.9 +/- 1 mg/g dry wt details
Goji OGDetected and Quantified0.45 mg/g dry wt details
Golden CobraDetected and Quantified1.314 mg/g dry wt details
Golden SageDetected and Quantified0.632 mg/g dry wt details
Gorilla GlueDetected and Quantified0.282 mg/g dry wt details
Gorilla Glue #4Detected and Quantified0.276 mg/g dry wt details
Grape ApeDetected and Quantified2 +/- 1 mg/g dry wt details
Grape StomperDetected and Quantified1.033 mg/g dry wt details
Grape StomperDetected and Quantified1.178 mg/g dry wt details
Grizzly KushDetected and Quantified0.468 mg/g dry wt details
Hash PlantDetected and Quantified0.133 mg/g dry wt details
Hash PlantDetected and Quantified0.411 mg/g dry wt details
HemlockDetected and Quantified0.68 mg/g dry wt details
Island HoneyDetected and Quantified0.02 mg/g dry wt
    • Jiamin Zheng, Yil...
details
JabberwockyDetected and Quantified0.403 mg/g dry wt details
JabberwockyDetected and Quantified0.493 mg/g dry wt details
Jack HererDetected and Quantified0.213 mg/g dry wt details
Kandy KushDetected and Quantified0.124 mg/g dry wt details
Kush PuppyDetected and Quantified2.228 mg/g dry wt details
La ChocoDetected and Quantified0.356 mg/g dry wt details
Lemon BalmDetected and Quantified0.28 mg/g dry wt details
Lemon GojiDetected and Quantified0.149 mg/g dry wt details
Lemon OGDetected and Quantified2.668 mg/g dry wt details
Lemon SherbetDetected and Quantified0.323 mg/g dry wt details
Lemon SkunkDetected and Quantified0.493 mg/g dry wt details
Lemon SkunkDetected and Quantified0.659 mg/g dry wt details
Liberty HazeDetected and Quantified4.06 mg/g dry wt details
LohanDetected and Quantified0.421 mg/g dry wt details
Lucky CharmsDetected and Quantified0.55 mg/g dry wt details
Maui HazeDetected and Quantified0.343 mg/g dry wt details
Miami White KushDetected and Quantified0.8 +/- 0.4 mg/g dry wt details
Moby DickDetected and Quantified0.305 mg/g dry wt details
Moonshine Ghost Trane HazeDetected and Quantified0.272 mg/g dry wt details
Nightmare CookieDetected and Quantified0.23 mg/g dry wt details
Og KushDetected and Quantified0.4 +/- 0.4 mg/g dry wt details
Orange SkunkDetected and Quantified0.111 mg/g dry wt details
Pineapple SkunkDetected and Quantified2.425 mg/g dry wt details
Pipe DreamDetected and Quantified5.241 mg/g dry wt details
Platinum DelightDetected and Quantified0.303 mg/g dry wt details
Purple CreamDetected and Quantified2.1 +/- 0.4 mg/g dry wt details
Purple EclipseDetected and Quantified0.31 mg/g dry wt details
Purple PrincessDetected and Quantified2.7 +/- 0.6 mg/g dry wt details
Purple UrkleDetected and Quantified3.2 +/- 0.6 mg/g dry wt details
QuadraDetected and Quantified0.25 mg/g dry wt
    • Jiamin Zheng, Yil...
details
Rocket FuelDetected and Quantified0.386 mg/g dry wt details
Rollex OGDetected and Quantified0.693 mg/g dry wt details
Rosetta StoneDetected and Quantified0.344 mg/g dry wt details
SatoriDetected and Quantified2.034 mg/g dry wt details
Sensi StarDetected and Quantified0.25 mg/g dry wt
    • Jiamin Zheng, Yil...
details
SherbertDetected and Quantified0.6 +/- 0.3 mg/g dry wt details
Skunk HazeDetected and Quantified3.578 mg/g dry wt details
Skywalker OGDetected and Quantified1.1 mg/g dry wt details
Skywalker Og KushDetected and Quantified0.4 +/- 0.3 mg/g dry wt details
SpectrumDetected and Quantified0.081 mg/g dry wt details
Star BudDetected and Quantified0.244 mg/g dry wt details
Star KillerDetected and Quantified0.169 mg/g dry wt details
Strawberry FieldsDetected and Quantified0.32 mg/g dry wt details
Strawberry FieldsDetected and Quantified0.363 mg/g dry wt details
Strawberry HazeDetected and Quantified1.1 +/- 0.1 mg/g dry wt details
Sunset SherbetDetected and Quantified0.238 mg/g dry wt details
Sunset SherbetDetected and Quantified0.241 mg/g dry wt details
Superman Og KushDetected and Quantified0.5 +/- 0.3 mg/g dry wt details
Tahoe Og KushDetected and Quantified0.5 +/- 0.3 mg/g dry wt details
Tangerine DreamDetected and Quantified0.75 mg/g dry wt details
The SauceDetected and Quantified0.304 mg/g dry wt details
TrainwreckDetected and Quantified0.9 +/- 0.2 mg/g dry wt details
Triple ODetected and Quantified0.5 +/- 0.2 mg/g dry wt details
Venom OGDetected and Quantified0.597 mg/g dry wt details
White WidowDetected and Quantified0.325 mg/g dry wt details
Wonder WomanDetected and Quantified0.222 mg/g dry wt details
HMDB IDHMDB0035658
DrugBank IDNot Available
Phenol Explorer Compound IDNot Available
FoodDB IDFDB014374
KNApSAcK IDC00035786
Chemspider ID389795
KEGG Compound IDC06308
BioCyc IDCPD-4892
BiGG IDNot Available
Wikipedia LinkAlpha-Pinene
METLIN IDNot Available
PubChem Compound440968
PDB IDNot Available
ChEBI ID28660
References
General ReferencesNot Available