Cannabichromene
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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
- 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
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
- Improve decision support & research outcomesWith structured adverse effects data, including: blackbox warnings, adverse reactions, warning & precautions, & incidence rates. View sample adverse effects data in our new Data Library!Improve decision support & research outcomes with our structured adverse effects data.
- 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
- External Links
- KEGG Compound
- C08998
- ChemSpider
- 28064
- BindingDB
- 50318486
- 2585216
- ChEBI
- 3357
- ChEMBL
- CHEMBL422704
- Wikipedia
- Cannabichromene
Clinical Trials
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
Property Value Source Water Solubility 0.00152 mg/mL ALOGPS logP 7.04 ALOGPS logP 6.6 Chemaxon logS -5.3 ALOGPS pKa (Strongest Acidic) 9.47 Chemaxon pKa (Strongest Basic) -4.9 Chemaxon Physiological Charge 0 Chemaxon Hydrogen Acceptor Count 2 Chemaxon Hydrogen Donor Count 1 Chemaxon Polar Surface Area 29.46 Å2 Chemaxon Rotatable Bond Count 7 Chemaxon Refractivity 99.6 m3·mol-1 Chemaxon Polarizability 39.01 Å3 Chemaxon Number of Rings 2 Chemaxon Bioavailability 1 Chemaxon Rule of Five No Chemaxon Ghose Filter No Chemaxon Veber's Rule Yes Chemaxon MDDR-like Rule No Chemaxon - Predicted ADMET Features
- Not Available
Spectra
- Mass Spec (NIST)
- Not Available
- Spectra
Spectrum Spectrum Type Splash Key Predicted MS/MS Spectrum - 10V, Positive (Annotated) Predicted LC-MS/MS splash10-014i-0096000000-698a5278d99394cb776b Predicted MS/MS Spectrum - 10V, Negative (Annotated) Predicted LC-MS/MS splash10-03di-0009000000-e947c52964a2fca1ce5a Predicted MS/MS Spectrum - 20V, Positive (Annotated) Predicted LC-MS/MS splash10-01bc-2091000000-0d63188110e24a59cd19 Predicted MS/MS Spectrum - 20V, Negative (Annotated) Predicted LC-MS/MS splash10-03di-0339000000-e2d75dc9fc7cd2dabc83 Predicted MS/MS Spectrum - 40V, Negative (Annotated) Predicted LC-MS/MS splash10-0n3a-0390000000-ea1f3289b05e3cbfb040 Predicted MS/MS Spectrum - 40V, Positive (Annotated) Predicted LC-MS/MS splash10-0006-7590000000-29980313f69620887a8e Predicted 1H NMR Spectrum 1D NMR Not Applicable Predicted 13C NMR Spectrum 1D NMR Not Applicable - Chromatographic Properties
Collision Cross Sections (CCS)
Adduct CCS Value (Å2) Source type Source [M-H]- 191.37859 predictedDeepCCS 1.0 (2019) [M+H]+ 193.73659 predictedDeepCCS 1.0 (2019) [M+Na]+ 199.95749 predictedDeepCCS 1.0 (2019)
Drug created at February 01, 2019 22:15 / Updated at June 12, 2020 16:53