Camphane
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Explore a selection of our essential drug information below, or:
Overview
- DrugBank ID
- DB04501
- Type
- Small Molecule
- Clinical Trials
- Phase 0
- 0
- Phase 1
- 0
- Phase 2
- 0
- Phase 3
- 0
- Phase 4
- 0
Identification
- Generic Name
- Camphane
- DrugBank Accession Number
- DB04501
- Background
Not Available
- Type
- Small Molecule
- Groups
- Experimental
- Structure
- Weight
- Average: 138.2499
Monoisotopic: 138.140850576 - Chemical Formula
- C10H18
- Synonyms
- (1s,4s)-1,7,7-trimethylbicyclo[2.2.1]heptane
- 1β,4β-bornane
- Bornane
- Bornylane
- External IDs
- OR7980
Pharmacology
- Indication
Not Available
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- Pharmacodynamics
Not Available
- Mechanism of action
Target Actions Organism UCamphor 5-monooxygenase Not Available Pseudomonas putida - 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
- Chemical TaxonomyProvided by Classyfire
- Description
- This compound 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
- Polycyclic hydrocarbons / Saturated hydrocarbons
- Substituents
- Aliphatic homopolycyclic compound / Bicyclic monoterpenoid / Bornane monoterpenoid / Hydrocarbon / Polycyclic hydrocarbon / Saturated hydrocarbon
- Molecular Framework
- Aliphatic homopolycyclic compounds
- External Descriptors
- bornane (CHEBI:41341)
- Affected organisms
- Not Available
Chemical Identifiers
- UNII
- Not Available
- CAS number
- 464-15-3
- InChI Key
- BEWYHVAWEKZDPP-WAAGHKOSSA-N
- InChI
- InChI=1S/C10H18/c1-9(2)8-4-6-10(9,3)7-5-8/h8H,4-7H2,1-3H3/t8-,10+
- IUPAC Name
- (1s,4s)-1,7,7-trimethylbicyclo[2.2.1]heptane
- SMILES
- [H][C@]12CC[C@](C)(CC1)C2(C)C
References
Clinical Trials
- Clinical Trials
Clinical Trial & Rare Diseases Add-on Data Package
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Pharmacoeconomics
- Manufacturers
- Not Available
- Packagers
- Not Available
- Dosage Forms
- Not Available
- Prices
- Not Available
- Patents
- Not Available
Properties
- State
- Solid
- Experimental Properties
Property Value Source melting point (°C) 158.5 °C PhysProp boiling point (°C) 161 °C PhysProp - Predicted Properties
Property Value Source Water Solubility 0.00437 mg/mL ALOGPS logP 4.55 ALOGPS logP 3.22 Chemaxon logS -4.5 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 43.8 m3·mol-1 Chemaxon Polarizability 17.59 Å3 Chemaxon Number of Rings 2 Chemaxon Bioavailability 1 Chemaxon Rule of Five Yes Chemaxon Ghose Filter No Chemaxon Veber's Rule Yes Chemaxon MDDR-like Rule No Chemaxon - Predicted ADMET Features
Property Value Probability Human Intestinal Absorption + 0.995 Blood Brain Barrier + 0.9875 Caco-2 permeable + 0.7162 P-glycoprotein substrate Non-substrate 0.6414 P-glycoprotein inhibitor I Non-inhibitor 0.7884 P-glycoprotein inhibitor II Non-inhibitor 0.7895 Renal organic cation transporter Non-inhibitor 0.8216 CYP450 2C9 substrate Non-substrate 0.832 CYP450 2D6 substrate Non-substrate 0.8093 CYP450 3A4 substrate Substrate 0.5383 CYP450 1A2 substrate Non-inhibitor 0.9067 CYP450 2C9 inhibitor Non-inhibitor 0.9193 CYP450 2D6 inhibitor Non-inhibitor 0.9699 CYP450 2C19 inhibitor Non-inhibitor 0.9343 CYP450 3A4 inhibitor Non-inhibitor 0.9435 CYP450 inhibitory promiscuity Low CYP Inhibitory Promiscuity 0.9079 Ames test Non AMES toxic 0.9235 Carcinogenicity Non-carcinogens 0.7269 Biodegradation Not ready biodegradable 0.6908 Rat acute toxicity 1.0326 LD50, mol/kg Not applicable hERG inhibition (predictor I) Weak inhibitor 0.9444 hERG inhibition (predictor II) Non-inhibitor 0.8143
Spectra
- Mass Spec (NIST)
- Download (8.88 KB)
- Spectra
Spectrum Spectrum Type Splash Key Predicted GC-MS Spectrum - GC-MS Predicted GC-MS splash10-00di-4900000000-b1689c3baf4c9a89cc26 Predicted MS/MS Spectrum - 10V, Positive (Annotated) Predicted LC-MS/MS splash10-03di-0900000000-3373767626905ce5cd55 Predicted MS/MS Spectrum - 10V, Negative (Annotated) Predicted LC-MS/MS splash10-000i-0900000000-d4e45fcf9a1f93d71788 Predicted MS/MS Spectrum - 20V, Positive (Annotated) Predicted LC-MS/MS splash10-08fr-0900000000-ffde420f4b3e0855d248 Predicted MS/MS Spectrum - 20V, Negative (Annotated) Predicted LC-MS/MS splash10-000i-0900000000-d4e45fcf9a1f93d71788 Predicted MS/MS Spectrum - 40V, Positive (Annotated) Predicted LC-MS/MS splash10-08fr-0900000000-92a9c6c13bf354ae4237 Predicted MS/MS Spectrum - 40V, Negative (Annotated) Predicted LC-MS/MS splash10-000i-0900000000-d81082956ded9df19673 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]- 130.84557 predictedDeepCCS 1.0 (2019) [M+H]+ 133.61363 predictedDeepCCS 1.0 (2019) [M+Na]+ 142.0128 predictedDeepCCS 1.0 (2019)
Targets
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1. DetailsCamphor 5-monooxygenase
- Kind
- Protein
- Organism
- Pseudomonas putida
- Pharmacological action
- Unknown
- General Function
- Involved in a camphor oxidation system.
- Specific Function
- camphor 5-monooxygenase activity
- Gene Name
- camC
- Uniprot ID
- P00183
- Uniprot Name
- Camphor 5-monooxygenase
- Molecular Weight
- 46668.8 Da
References
Drug created at June 13, 2005 13:24 / Updated at June 12, 2020 16:52