NAV

Cannabichromene

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

Identification

Generic Name
Cannabichromene
DrugBank Accession Number
DB14735
Background

A natural product found in Cannabis sativa and Helichrysum species.

Type
Small Molecule
Groups
Experimental
Structure
3D
Similar Structures
Weight
Average: 314.469
Monoisotopic: 314.224580206
Chemical Formula
C21H30O2
Synonyms
  • 2-Methyl-2-(4-methyl-3-pentenyl)-7-pentyl-2H-1-benzopyran-5-ol
  • Cannabichrome
  • Cannabinochromene
  • Cannanbichromene
  • Pentylcannabichromene
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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
K4497H250W
CAS number
20675-51-8
InChI Key
UVOLYTDXHDXWJU-UHFFFAOYSA-N
InChI
InChI=1S/C21H30O2/c1-5-6-7-10-17-14-19(22)18-11-13-21(4,23-20(18)15-17)12-8-9-16(2)3/h9,11,13-15,22H,5-8,10,12H2,1-4H3
IUPAC Name
2-methyl-2-(4-methylpent-3-en-1-yl)-7-pentyl-2H-chromen-5-ol
SMILES
CCCCCC1=CC2=C(C=CC(C)(CCC=C(C)C)O2)C(O)=C1

References

General References
Not Available
KEGG Compound
C08998
ChemSpider
28064
BindingDB
50318486
RxNav
2585216
ChEBI
3357
ChEMBL
CHEMBL422704
Wikipedia
Cannabichromene

Clinical Trials

Clinical Trials
PhaseStatusPurposeConditionsCount

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 Solubility0.00152 mg/mLALOGPS
logP7.04ALOGPS
logP6.6Chemaxon
logS-5.3ALOGPS
pKa (Strongest Acidic)9.47Chemaxon
pKa (Strongest Basic)-4.9Chemaxon
Physiological Charge0Chemaxon
Hydrogen Acceptor Count2Chemaxon
Hydrogen Donor Count1Chemaxon
Polar Surface Area29.46 Å2Chemaxon
Rotatable Bond Count7Chemaxon
Refractivity99.6 m3·mol-1Chemaxon
Polarizability39.01 Å3Chemaxon
Number of Rings2Chemaxon
Bioavailability1Chemaxon
Rule of FiveNoChemaxon
Ghose FilterNoChemaxon
Veber's RuleYesChemaxon
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/MSsplash10-014i-0096000000-698a5278d99394cb776b
Predicted MS/MS Spectrum - 10V, Negative (Annotated)Predicted LC-MS/MSsplash10-03di-0009000000-e947c52964a2fca1ce5a
Predicted MS/MS Spectrum - 20V, Positive (Annotated)Predicted LC-MS/MSsplash10-01bc-2091000000-0d63188110e24a59cd19
Predicted MS/MS Spectrum - 20V, Negative (Annotated)Predicted LC-MS/MSsplash10-03di-0339000000-e2d75dc9fc7cd2dabc83
Predicted MS/MS Spectrum - 40V, Negative (Annotated)Predicted LC-MS/MSsplash10-0n3a-0390000000-ea1f3289b05e3cbfb040
Predicted MS/MS Spectrum - 40V, Positive (Annotated)Predicted LC-MS/MSsplash10-0006-7590000000-29980313f69620887a8e
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]-191.37859
predicted
DeepCCS 1.0 (2019)
[M+H]+193.73659
predicted
DeepCCS 1.0 (2019)
[M+Na]+199.95749
predicted
DeepCCS 1.0 (2019)

Drug created at February 01, 2019 22:15 / Updated at June 12, 2020 16:53