Cannabigerol

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

Identification

Generic Name
Cannabigerol
DrugBank Accession Number
DB14734
Background

A natural product found in Cannabis sativa and Helichrysum species.

Type
Small Molecule
Groups
Experimental
Structure
Weight
Average: 316.485
Monoisotopic: 316.24023027
Chemical Formula
C21H32O2
Synonyms
Not Available

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

Categories

Drug Categories
Classification
Not classified
Affected organisms
Not Available

Chemical Identifiers

UNII
J1K406072N
CAS number
25654-31-3
InChI Key
QXACEHWTBCFNSA-SFQUDFHCSA-N
InChI
InChI=1S/C21H32O2/c1-5-6-7-11-18-14-20(22)19(21(23)15-18)13-12-17(4)10-8-9-16(2)3/h9,12,14-15,22-23H,5-8,10-11,13H2,1-4H3/b17-12+
IUPAC Name
2-[(2E)-3,7-dimethylocta-2,6-dien-1-yl]-5-pentylbenzene-1,3-diol
SMILES
CCCCCC1=CC(O)=C(C\C=C(/C)CCC=C(C)C)C(O)=C1

References

General References
Not Available
ChemSpider
4474921
BindingDB
50318487
RxNav
2464938
ChEBI
69477
ChEMBL
CHEMBL497318
ZINC
ZINC000004217650
Wikipedia
Cannabigerol

Clinical Trials

Clinical Trials
PhaseStatusPurposeConditionsCount
4RecruitingTreatmentChronic Migraine / Medication Overuse Headache1
1RecruitingBasic ScienceFocus: To Examine Acute Effects of CBG on Anxiety, Stress, and Cognition1

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 Solubility0.00512 mg/mLALOGPS
logP6.99ALOGPS
logP7.05Chemaxon
logS-4.8ALOGPS
pKa (Strongest Acidic)9.16Chemaxon
pKa (Strongest Basic)-5.7Chemaxon
Physiological Charge0Chemaxon
Hydrogen Acceptor Count2Chemaxon
Hydrogen Donor Count2Chemaxon
Polar Surface Area40.46 Å2Chemaxon
Rotatable Bond Count9Chemaxon
Refractivity101.51 m3·mol-1Chemaxon
Polarizability39.41 Å3Chemaxon
Number of Rings1Chemaxon
Bioavailability1Chemaxon
Rule of FiveNoChemaxon
Ghose FilterNoChemaxon
Veber's RuleNoChemaxon
MDDR-like RuleNoChemaxon
Predicted ADMET Features
Not Available

Spectra

Mass Spec (NIST)
Not Available
Spectra
SpectrumSpectrum TypeSplash Key
Predicted MS/MS Spectrum - 10V, Positive (Annotated)Predicted LC-MS/MSsplash10-00lr-4193000000-48322a66b9d9b53515b7
Predicted MS/MS Spectrum - 10V, Negative (Annotated)Predicted LC-MS/MSsplash10-014i-0109000000-b6b2e545468a29f59c6d
Predicted MS/MS Spectrum - 20V, Negative (Annotated)Predicted LC-MS/MSsplash10-00kr-1794000000-ea63cacda5467a1f4255
Predicted MS/MS Spectrum - 20V, Positive (Annotated)Predicted LC-MS/MSsplash10-00kg-9250000000-5d86f74546827478a0fe
Predicted MS/MS Spectrum - 40V, Negative (Annotated)Predicted LC-MS/MSsplash10-0kk9-1390000000-41de0ab1cd18a5ebd65d
Predicted MS/MS Spectrum - 40V, Positive (Annotated)Predicted LC-MS/MSsplash10-0006-9420000000-bb9852d03944a2b183a2
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]-205.6136644
predicted
DarkChem Lite v0.1.0
[M+H]+207.8086644
predicted
DarkChem Lite v0.1.0
[M+Na]+205.4046644
predicted
DarkChem Lite v0.1.0

Drug created at February 01, 2019 22:13 / Updated at June 12, 2020 16:53