Cannabis Compound Database: Showing Compound Card for (-)-β-Pinene (CDB005273)

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Record Information

Version

1.0

Created at

2020-04-17 19:26:40 UTC

Updated at

2020-12-07 19:11:52 UTC

CannabisDB ID

CDB005273

Secondary Accession Numbers

Not Available

Cannabis Compound Identification

Common Name

(-)-β-Pinene

Description

(-)-beta-Pinene, also known as (1S,5S)-b-pinene or L-b-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. Thus, (-)-beta-pinene is considered to be an isoprenoid lipid molecule (-)-beta-Pinene is a very hydrophobic molecule, practically insoluble (in water), and relatively neutral. (-)-β-Pinene is expected to be in Cannabis as all living plants are known to produce and metabolize it.

Structure

MOL SDF 3D-SDF PDB SMILES InChI View 3D Structure

Synonyms

Value	Source
(-)-Nopinene	ChEBI
(-)-Pin-2(10)-ene	ChEBI
(1S,5S)-6,6-Dimethyl-2-methylenebicyclo[3.1.1]heptane	ChEBI
(1S,5S)-beta-Pinene	ChEBI
(1S,5S)-b-Pinene	Generator
(1S,5S)-Β-pinene	Generator
(-)-b-Pinene	Generator
(-)-Β-pinene	Generator
beta-Pinene	MeSH
Terbenthene	MeSH
Terebenthene	MeSH
(-)-(1S,5S)-beta-Pinene	HMDB
(-)-2(10)-Pinene	HMDB
(1S)-(-)-beta-Pinene	HMDB
(1S,5S)-2(10)-Pinene	HMDB
(1S,5S)-6,6-Dimethyl-2-methylidenebicyclo[3.1.1]heptane	HMDB
(1S,5S)-Pin-2(10)-ene	HMDB
1S,5S-(-)-beta-Pinene	HMDB
L-b-Pinene	HMDB
laevo-b-Pinene	HMDB
2(10)-Pinene	PhytoBank
6,6-Dimethyl-2-methylenebicyclo[3.1.1]heptane	PhytoBank
(±)-2(10)-Pinene	PhytoBank
(±)-6,6-Dimethyl-2-methylenebicyclo[3.1.1]heptane	PhytoBank
(±)-beta-Pinene	PhytoBank
(±)-β-Pinene	PhytoBank
Nopinen	PhytoBank
Nopinene	PhytoBank
(1S,5S)-(-)-2(10)-Pinene	PhytoBank
(1S)-6,6-Dimethyl-2-methylenebicyclo[3.1.1]heptane	PhytoBank
(-)-(1S)-beta-Pinene	PhytoBank
(-)-(1S)-β-Pinene	PhytoBank
(-)-(1S,5S)-β-Pinene	PhytoBank
(-)-beta-Pinene	PhytoBank
(1S)-(-)-β-Pinene	PhytoBank
(1S)-beta-Pinene	PhytoBank
(1S)-β-Pinene	PhytoBank
(S)-(-)-beta-Pinene	PhytoBank
(S)-(-)-β-Pinene	PhytoBank
(S)-beta-Pinene	PhytoBank
(S)-β-Pinene	PhytoBank
l-beta-Pinene	PhytoBank
l-β-Pinene	PhytoBank

Chemical Formula

C₁₀H₁₆

Average Molecular Weight

136.23

Monoisotopic Molecular Weight

136.1252

IUPAC Name

(1S,5S)-6,6-dimethyl-2-methylidenebicyclo[3.1.1]heptane

Traditional Name

(-)-β-pinene

CAS Registry Number

18172-67-3

SMILES

CC1(C)[C@@H]2C[C@H]1C(=C)CC2

InChI Identifier

InChI=1S/C10H16/c1-7-4-5-8-6-9(7)10(8,2)3/h8-9H,1,4-6H2,2-3H3/t8-,9-/m0/s1

InChI Key

WTARULDDTDQWMU-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.

Kingdom

Organic compounds

Super Class

Lipids and lipid-like molecules

Class

Prenol lipids

Sub Class

Monoterpenoids

Direct Parent

Bicyclic 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 Framework

Aliphatic homopolycyclic compounds

External Descriptors

beta-pinene (CHEBI:28359 )
Bicyclic monoterpenoids (C06307 )
Cyclic monoterpenes (C06307 )
Bicyclic monoterpenoids (LMPR0102120013 )

Ontology

Disposition

Route of exposure:

Enteral:

Ingestion

Extracellular

Subcellular:

Biofluid and excreta:

Feces

Role

Industrial application:

Food and nutrition:

Flavoring agent

Biological role:

Physical Properties

State

Liquid

Experimental Properties

Property	Value	Reference
Melting Point	-61 °C	Not Available
Boiling Point	Not Available	Not Available
Water Solubility	Not Available	Not Available
logP	Not Available	Not Available

Predicted Properties

Property	Value	Source
logP	3.94	ALOGPS
logP	2.86	ChemAxon
logS	-3.3	ALOGPS
Physiological Charge	0	ChemAxon
Hydrogen Acceptor Count	0	ChemAxon
Hydrogen Donor Count	0	ChemAxon
Polar Surface Area	0 Å²	ChemAxon
Rotatable Bond Count	0	ChemAxon
Refractivity	43.65 m³·mol⁻¹	ChemAxon
Polarizability	17.14 Å³	ChemAxon
Number of Rings	2	ChemAxon
Bioavailability	Yes	ChemAxon
Rule of Five	Yes	ChemAxon
Ghose Filter	No	ChemAxon
Veber's Rule	Yes	ChemAxon
MDDR-like Rule	No	ChemAxon

Spectra

EI-MS/GC-MS

Type	Description	Splash Key	View
GC-MS	(-)-β-Pinene, non-derivatized, GC-MS Spectrum	splash10-002f-9000000000-30fa40ae82c24567182c	Spectrum
GC-MS	(-)-β-Pinene, non-derivatized, GC-MS Spectrum	splash10-002f-9000000000-30fa40ae82c24567182c	Spectrum
Predicted GC-MS	(-)-β-Pinene, non-derivatized, Predicted GC-MS Spectrum - 70eV, Positive	splash10-0079-1900000000-7a8b637e362b2868237d	Spectrum
Predicted GC-MS	(-)-β-Pinene, non-derivatized, Predicted GC-MS Spectrum - 70eV, Positive	Not Available	Spectrum
Predicted GC-MS	(-)-β-Pinene, non-derivatized, Predicted GC-MS Spectrum - 70eV, Positive	Not Available	Spectrum

MS/MS

Type	Description	Splash Key	View
Predicted MS/MS	Predicted LC-MS/MS Spectrum - 10V, Positive	splash10-000i-0900000000-e26a5aa072ee3c657bb1	2016-08-03	View Spectrum
Predicted MS/MS	Predicted LC-MS/MS Spectrum - 20V, Positive	splash10-000i-0900000000-9ce03af98198cbec9a56	2016-08-03	View Spectrum
Predicted MS/MS	Predicted LC-MS/MS Spectrum - 40V, Positive	splash10-00dr-0900000000-83547c837f75972195a6	2016-08-03	View Spectrum
Predicted MS/MS	Predicted LC-MS/MS Spectrum - 10V, Negative	splash10-000i-0900000000-ae6e9f2df0d7b06fe3be	2016-08-03	View Spectrum
Predicted MS/MS	Predicted LC-MS/MS Spectrum - 20V, Negative	splash10-000i-0900000000-5e150dd4370565464dad	2016-08-03	View Spectrum
Predicted MS/MS	Predicted LC-MS/MS Spectrum - 40V, Negative	splash10-014r-0900000000-45b2edf143e15a1e5867	2016-08-03	View Spectrum
Predicted MS/MS	Predicted LC-MS/MS Spectrum - 10V, Negative	splash10-000i-0900000000-a013b4ae27f975ab5621	2021-09-22	View Spectrum
Predicted MS/MS	Predicted LC-MS/MS Spectrum - 20V, Negative	splash10-000i-0900000000-a013b4ae27f975ab5621	2021-09-22	View Spectrum
Predicted MS/MS	Predicted LC-MS/MS Spectrum - 40V, Negative	splash10-000i-0900000000-7260f27ae84d64a57ad4	2021-09-22	View Spectrum
Predicted MS/MS	Predicted LC-MS/MS Spectrum - 10V, Positive	splash10-000i-0900000000-32bfa268614bcd6c4f81	2021-09-23	View Spectrum
Predicted MS/MS	Predicted LC-MS/MS Spectrum - 20V, Positive	splash10-000i-0900000000-32bfa268614bcd6c4f81	2021-09-23	View Spectrum
Predicted MS/MS	Predicted LC-MS/MS Spectrum - 40V, Positive	splash10-059i-0900000000-b224f82915803ce924fc	2021-09-23	View Spectrum

NMR

Not Available

Pathways

Not Available

Protein Targets

Enzymes

Not Available

Transporters

Not Available

Metal Bindings

Not Available

Receptors

Not Available

Transcriptional Factors

Not Available

Concentrations Data

Cannabis Cultivar	Status	Value	Reference	Details
8-Ball Kush	Detected and Quantified	1.138 mg/g dry wt	PMID: 30036388	details
9 Lb Hammer	Detected and Quantified	1.537 mg/g dry wt	PMID: 30036388	details
97 Sage	Detected and Quantified	1.522 mg/g dry wt	PMID: 30036388	details
Adonis	Detected and Quantified	0.721 mg/g dry wt	PMID: 30036388	details
Alien Sour Apple	Detected and Quantified	0.913 mg/g dry wt	PMID: 30036388	details
Black Boss	Detected and Quantified	0.972 mg/g dry wt	PMID: 30036388	details
Blue Dream	Detected and Quantified	1.015 mg/g dry wt	PMID: 30036388	details
Blue Dream	Detected and Quantified	1.023 mg/g dry wt	PMID: 30036388	details
Blue Dream	Detected and Quantified	2.095 mg/g dry wt	PMID: 30036388	details
Blue Dream	Detected and Quantified	2.556 mg/g dry wt	PMID: 30036388	details
Bob Marley	Detected and Quantified	0.489 mg/g dry wt	PMID: 30036388	details
Chemdawg	Detected and Quantified	0.551 mg/g dry wt	PMID: 30036388	details
Chemdawg #4	Detected and Quantified	0.568 mg/g dry wt	PMID: 30036388	details
Chemdawg #4	Detected and Quantified	0.847 mg/g dry wt	PMID: 30036388	details
Cookies and Cream	Detected and Quantified	0.59 mg/g dry wt	PMID: 30036388	details
Cosmic Lotus	Detected and Quantified	0.928 mg/g dry wt	PMID: 30036388	details
Dairy Queen	Detected and Quantified	0.671 mg/g dry wt	PMID: 30036388	details
Dark Shadow Haze	Detected and Quantified	0.751 mg/g dry wt	PMID: 30036388	details
FLO	Detected and Quantified	0.408 mg/g dry wt	PMID: 30036388	details
Goji OG	Detected and Quantified	0.932 mg/g dry wt	PMID: 30036388	details
Golden Cobra	Detected and Quantified	0.67 mg/g dry wt	PMID: 30036388	details
Golden Sage	Detected and Quantified	1.005 mg/g dry wt	PMID: 30036388	details
Gorilla Glue	Detected and Quantified	0.527 mg/g dry wt	PMID: 30036388	details
Gorilla Glue #4	Detected and Quantified	0.553 mg/g dry wt	PMID: 30036388	details
Grape Stomper	Detected and Quantified	0.642 mg/g dry wt	PMID: 30036388	details
Grape Stomper	Detected and Quantified	0.753 mg/g dry wt	PMID: 30036388	details
Grizzly Kush	Detected and Quantified	0.719 mg/g dry wt	PMID: 30036388	details
Hash Plant	Detected and Quantified	0.293 mg/g dry wt	PMID: 30036388	details
Hash Plant	Detected and Quantified	0.58 mg/g dry wt	PMID: 30036388	details
Hemlock	Detected and Quantified	1.126 mg/g dry wt	PMID: 30036388	details
Jabberwocky	Detected and Quantified	0.816 mg/g dry wt	PMID: 30036388	details
Jabberwocky	Detected and Quantified	0.917 mg/g dry wt	PMID: 30036388	details
Jack Herer	Detected and Quantified	0.397 mg/g dry wt	PMID: 30036388	details
Kandy Kush	Detected and Quantified	0.181 mg/g dry wt	PMID: 30036388	details
Kush Puppy	Detected and Quantified	1.066 mg/g dry wt	PMID: 30036388	details
La Choco	Detected and Quantified	0.57 mg/g dry wt	PMID: 30036388	details
Lemon Balm	Detected and Quantified	0.398 mg/g dry wt	PMID: 30036388	details
Lemon Goji	Detected and Quantified	0.277 mg/g dry wt	PMID: 30036388	details
Lemon OG	Detected and Quantified	0.86 mg/g dry wt	PMID: 30036388	details
Lemon Sherbet	Detected and Quantified	0.254 mg/g dry wt	PMID: 30036388	details
Lemon Skunk	Detected and Quantified	0.942 mg/g dry wt	PMID: 30036388	details
Lemon Skunk	Detected and Quantified	1.074 mg/g dry wt	PMID: 30036388	details
Liberty Haze	Detected and Quantified	1.679 mg/g dry wt	PMID: 30036388	details
Lohan	Detected and Quantified	0.699 mg/g dry wt	PMID: 30036388	details
Lucky Charms	Detected and Quantified	0.942 mg/g dry wt	PMID: 30036388	details
Maui Haze	Detected and Quantified	0.646 mg/g dry wt	PMID: 30036388	details
Moby Dick	Detected and Quantified	0.557 mg/g dry wt	PMID: 30036388	details
Moonshine Ghost Trane Haze	Detected and Quantified	0.464 mg/g dry wt	PMID: 30036388	details
Nightmare Cookie	Detected and Quantified	0.397 mg/g dry wt	PMID: 30036388	details
Orange Skunk	Detected and Quantified	0.093 mg/g dry wt	PMID: 30036388	details
Pineapple Skunk	Detected and Quantified	0.905 mg/g dry wt	PMID: 30036388	details
Pipe Dream	Detected and Quantified	2.294 mg/g dry wt	PMID: 30036388	details
Platinum Delight	Detected and Quantified	0.489 mg/g dry wt	PMID: 30036388	details
Purple Eclipse	Detected and Quantified	0.584 mg/g dry wt	PMID: 30036388	details
Rocket Fuel	Detected and Quantified	0.73 mg/g dry wt	PMID: 30036388	details
Rollex OG	Detected and Quantified	1.034 mg/g dry wt	PMID: 30036388	details
Rosetta Stone	Detected and Quantified	0.623 mg/g dry wt	PMID: 30036388	details
Satori	Detected and Quantified	1.034 mg/g dry wt	PMID: 30036388	details
Skunk Haze	Detected and Quantified	1.442 mg/g dry wt	PMID: 30036388	details
Skywalker OG	Detected and Quantified	0.4 mg/g dry wt	PMID: 30036388	details
Spectrum	Detected and Quantified	0.122 mg/g dry wt	PMID: 30036388	details
Star Bud	Detected and Quantified	0.397 mg/g dry wt	PMID: 30036388	details
Star Killer	Detected and Quantified	0.285 mg/g dry wt	PMID: 30036388	details
Strawberry Fields	Detected and Quantified	0.712 mg/g dry wt	PMID: 30036388	details
Strawberry Fields	Detected and Quantified	0.554 mg/g dry wt	PMID: 30036388	details
Sunset Sherbet	Detected and Quantified	0.42 mg/g dry wt	PMID: 30036388	details
Sunset Sherbet	Detected and Quantified	0.427 mg/g dry wt	PMID: 30036388	details
Tangerine Dream	Detected and Quantified	1.385 mg/g dry wt	PMID: 30036388	details
The Sauce	Detected and Quantified	0.339 mg/g dry wt	PMID: 30036388	details
Venom OG	Detected and Quantified	0.554 mg/g dry wt	PMID: 30036388	details
White Widow	Detected and Quantified	0.578 mg/g dry wt	PMID: 30036388	details
Wonder Woman	Detected and Quantified	0.162 mg/g dry wt	PMID: 30036388	details