(-)-beta-Elemene
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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
- (-)-beta-Elemene
- DrugBank Accession Number
- DB18097
- Background
Not Available
- Type
- Small Molecule
- Groups
- Investigational
- Structure
- Weight
- Average: 204.357
Monoisotopic: 204.187800773 - Chemical Formula
- C15H24
- Synonyms
- .beta.-elemene
- (-)-.beta.-elemene
- (-)-B-elemene
- (-)-beta-Elemene
- Cyclohexane, 1-ethenyl-1-methyl-2,4-bis(1-methylethenyl)-, (1s,2s,4r)-
- Elemene, (-)-.beta.-
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
- Not Available
- Classification
- Not classified
- Affected organisms
- Not Available
Chemical Identifiers
- UNII
- 2QG8CX6LXD
- CAS number
- 515-13-9
- InChI Key
- OPFTUNCRGUEPRZ-QLFBSQMISA-N
- InChI
- InChI=1S/C15H24/c1-7-15(6)9-8-13(11(2)3)10-14(15)12(4)5/h7,13-14H,1-2,4,8-10H2,3,5-6H3/t13-,14+,15+/m1/s1
- IUPAC Name
- (1S,2S,4R)-1-ethenyl-1-methyl-2,4-bis(prop-1-en-2-yl)cyclohexane
- SMILES
- CC(=C)[C@@H]1CC[C@@](C)(C=C)[C@@H](C1)C(C)=C
References
- General References
- Not Available
- External Links
- Human Metabolome Database
- HMDB0061848
- KEGG Compound
- C17094
- ChemSpider
- 5293588
- ChEBI
- 62855
- ChEMBL
- CHEMBL448502
- ZINC
- ZINC000014096289
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 logP 4.74 Chemaxon Physiological Charge 0 Chemaxon Hydrogen Acceptor Count 0 Chemaxon Hydrogen Donor Count 0 Chemaxon Polar Surface Area 0 Å2 Chemaxon Rotatable Bond Count 3 Chemaxon Refractivity 68.23 m3·mol-1 Chemaxon Polarizability 25.96 Å3 Chemaxon Number of Rings 1 Chemaxon Bioavailability 1 Chemaxon Rule of Five Yes Chemaxon Ghose Filter Yes Chemaxon Veber's Rule Yes Chemaxon MDDR-like Rule No Chemaxon - Predicted ADMET Features
- Not Available
Spectra
- Mass Spec (NIST)
- Not Available
- Spectra
- Not Available
- Chromatographic Properties
Collision Cross Sections (CCS)
Not Available
Drug created at September 12, 2023 04:30 / Updated at September 12, 2023 18:34