Norcamphor
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Explore a selection of our essential drug information below, or:
Identification
- Generic Name
- Norcamphor
- DrugBank Accession Number
- DB03540
- Background
Not Available
- Type
- Small Molecule
- Groups
- Experimental
- Structure
- Weight
- Average: 110.1537
Monoisotopic: 110.073164942 - Chemical Formula
- C7H10O
- Synonyms
- Not Available
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
- 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
- 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
- Ketones / Organic oxides / Hydrocarbon derivatives
- Substituents
- Aliphatic homopolycyclic compound / Bicyclic monoterpenoid / Carbonyl group / Hydrocarbon derivative / Ketone / Organic oxide / Organic oxygen compound / Organooxygen compound
- Molecular Framework
- Aliphatic homopolycyclic compounds
- External Descriptors
- Not Available
- Affected organisms
- Not Available
Chemical Identifiers
- UNII
- Not Available
- CAS number
- Not Available
- InChI Key
- KPMKEVXVVHNIEY-NTSWFWBYSA-N
- InChI
- InChI=1S/C7H10O/c8-7-4-5-1-2-6(7)3-5/h5-6H,1-4H2/t5-,6+/m0/s1
- IUPAC Name
- (1R,4S)-bicyclo[2.2.1]heptan-2-one
- SMILES
- [H][C@]12CC[C@]([H])(C1)C(=O)C2
References
- General References
- Not Available
- External Links
- PubChem Compound
- 449588
- PubChem Substance
- 46505439
- ChemSpider
- 16743760
- ZINC
- ZINC000001693941
- PDBe Ligand
- NCM
- Wikipedia
- Norcamphor
- PDB Entries
- 7cpp
Clinical Trials
- Clinical Trials
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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
- Not Available
- Predicted Properties
Property Value Source Water Solubility 8.51 mg/mL ALOGPS logP 1.4 ALOGPS logP 1.41 Chemaxon logS -1.1 ALOGPS pKa (Strongest Basic) -7.4 Chemaxon Physiological Charge 0 Chemaxon Hydrogen Acceptor Count 1 Chemaxon Hydrogen Donor Count 0 Chemaxon Polar Surface Area 17.07 Å2 Chemaxon Rotatable Bond Count 0 Chemaxon Refractivity 30.97 m3·mol-1 Chemaxon Polarizability 12.19 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 + 0.9942 Blood Brain Barrier + 0.9702 Caco-2 permeable + 0.7819 P-glycoprotein substrate Non-substrate 0.8018 P-glycoprotein inhibitor I Non-inhibitor 0.8971 P-glycoprotein inhibitor II Non-inhibitor 0.9832 Renal organic cation transporter Non-inhibitor 0.7506 CYP450 2C9 substrate Non-substrate 0.8506 CYP450 2D6 substrate Non-substrate 0.8727 CYP450 3A4 substrate Non-substrate 0.6618 CYP450 1A2 substrate Non-inhibitor 0.8526 CYP450 2C9 inhibitor Non-inhibitor 0.8871 CYP450 2D6 inhibitor Non-inhibitor 0.9644 CYP450 2C19 inhibitor Non-inhibitor 0.9255 CYP450 3A4 inhibitor Non-inhibitor 0.9701 CYP450 inhibitory promiscuity Low CYP Inhibitory Promiscuity 0.9545 Ames test Non AMES toxic 0.9046 Carcinogenicity Non-carcinogens 0.899 Biodegradation Ready biodegradable 0.8487 Rat acute toxicity 2.1325 LD50, mol/kg Not applicable hERG inhibition (predictor I) Weak inhibitor 0.736 hERG inhibition (predictor II) Non-inhibitor 0.9367
Spectra
- Mass Spec (NIST)
- Not Available
- Spectra
Spectrum Spectrum Type Splash Key Predicted GC-MS Spectrum - GC-MS Predicted GC-MS splash10-014i-9000000000-a4a3aeef6932d0ada48f Predicted MS/MS Spectrum - 10V, Positive (Annotated) Predicted LC-MS/MS splash10-0006-9100000000-7d5d6b14a15e4a7f52b1 Predicted MS/MS Spectrum - 10V, Negative (Annotated) Predicted LC-MS/MS splash10-0a4i-0900000000-c1e3e7443d254cdf6950 Predicted MS/MS Spectrum - 20V, Positive (Annotated) Predicted LC-MS/MS splash10-03ym-9300000000-8bd5fd2b13577effc114 Predicted MS/MS Spectrum - 20V, Negative (Annotated) Predicted LC-MS/MS splash10-052f-9600000000-61b269c89351a5f40acc Predicted MS/MS Spectrum - 40V, Negative (Annotated) Predicted LC-MS/MS splash10-0006-9100000000-34dbd5865e841a59cf2d Predicted MS/MS Spectrum - 40V, Positive (Annotated) Predicted LC-MS/MS splash10-004i-9000000000-e237b4d9dbab1d8b5c5b 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]- 127.78201 predictedDeepCCS 1.0 (2019) [M+H]+ 129.82262 predictedDeepCCS 1.0 (2019) [M+Na]+ 136.19226 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