Record Information |
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Version | 1.0 |
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Creation Date | 2016-05-26 01:20:55 UTC |
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Update Date | 2016-11-09 01:18:56 UTC |
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Accession Number | CHEM029698 |
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Identification |
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Common Name | (+)-Borneol |
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Class | Small Molecule |
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Description | |
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Contaminant Sources | |
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Contaminant Type | Not Available |
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Chemical Structure | |
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Synonyms | Value | Source |
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(1R,2S,4R)-(+)-Borneol | ChEBI | (1R,2S,4R)-Borneol | ChEBI | (1R-endo)-1,7,7-Trimethylbicyclo[2.2.1]heptan-2-ol | ChEBI | Borneocamphor | ChEBI | D-Borneol | ChEBI | endo-2-Bornanol | ChEBI | Sumatra camphor | ChEBI | Borneol | MeSH | Isoborneol | MeSH | Isoborneol, (1R-endo)-isomer | MeSH | Isoborneol, (1R-exo)-isomer | MeSH | Isoborneol, (1S-endo)-isomer | MeSH | Isoborneol, (1S-exo)-isomer | MeSH | Isoborneol, (endo)-isomer | MeSH | Isoborneol, (endo-(+-))-isomer | MeSH | Isoborneol, (exo)-isomer | MeSH | (+)-(2S)-Borneol | PhytoBank | (+)-2-Borneol | PhytoBank | (+)-Borneol | PhytoBank | (+)-endo-Borneol | PhytoBank | (1R)-(+)-Borneol | PhytoBank | (1R)-endo-Borneol | PhytoBank | (1R,2S,4R)-1,7,7-Trimethylbicyclo[2.2.1]heptan-2-ol | PhytoBank | d-(+)-Borneol | PhytoBank | (±)-Borneol | PhytoBank | 2-Borneol | PhytoBank | 2-endo-Bornyl alcohol | PhytoBank | dl-Borneol | PhytoBank | endo-(±)-Bornan-2-ol | PhytoBank | endo-2-Hydroxy-1,7,7-trimethylnorbornane | PhytoBank | endo-Borneol | PhytoBank | Camphol | PhytoBank |
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Chemical Formula | C10H18O |
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Average Molecular Mass | 154.253 g/mol |
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Monoisotopic Mass | 154.136 g/mol |
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CAS Registry Number | 464-43-7 |
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IUPAC Name | (1R,2S,4R)-1,7,7-trimethylbicyclo[2.2.1]heptan-2-ol |
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Traditional Name | (+)-borneol |
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SMILES | [H][C@]1(O)C[C@@]2([H])CC[C@]1(C)C2(C)C |
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InChI Identifier | InChI=1S/C10H18O/c1-9(2)7-4-5-10(9,3)8(11)6-7/h7-8,11H,4-6H2,1-3H3/t7-,8+,10+/m1/s1 |
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InChI Key | DTGKSKDOIYIVQL-WEDXCCLWSA-N |
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Chemical Taxonomy |
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Description | belongs to the class of organic compounds known as bicyclic monoterpenoids. These are monoterpenoids containing exactly 2 rings, which are fused to each other. |
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Kingdom | Organic compounds |
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Super Class | Lipids and lipid-like molecules |
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Class | Prenol lipids |
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Sub Class | Monoterpenoids |
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Direct Parent | Bicyclic monoterpenoids |
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Alternative Parents | |
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Substituents | - Bicyclic monoterpenoid
- Bornane monoterpenoid
- Cyclic alcohol
- Secondary alcohol
- Organic oxygen compound
- Hydrocarbon derivative
- Organooxygen compound
- Alcohol
- Aliphatic homopolycyclic compound
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Molecular Framework | Aliphatic homopolycyclic compounds |
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External Descriptors | |
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Biological Properties |
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Status | Detected and Not Quantified |
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Origin | Not Available |
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Cellular Locations | Not Available |
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Biofluid Locations | Not Available |
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Tissue Locations | Not Available |
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Pathways | Not Available |
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Applications | Not Available |
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Biological Roles | Not Available |
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Chemical Roles | Not Available |
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Physical Properties |
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State | Not Available |
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Appearance | Not Available |
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Experimental Properties | Property | Value |
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Melting Point | Not Available | Boiling Point | Not Available | Solubility | Not Available |
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Predicted Properties | |
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Spectra |
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Spectra | Spectrum Type | Description | Splash Key | View |
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GC-MS | GC-MS Spectrum - GC-EI-Q (Non-derivatized) | splash10-0002-9100000000-9d4f533b5d9cf6146f3e | Spectrum | Predicted GC-MS | Predicted GC-MS Spectrum - GC-MS (1 TMS) - 70eV, Positive | Not Available | Spectrum | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - 10V, Positive | splash10-052r-0900000000-7eaa92cdc2cb1dd17c33 | Spectrum | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - 20V, Positive | splash10-052r-0900000000-fb1222abb6cef74eb083 | Spectrum | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - 40V, Positive | splash10-00dr-2900000000-622438b8bd224a755c47 | Spectrum | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - 10V, Negative | splash10-0udi-0900000000-b64fc5b28acf2b8ce6ee | Spectrum | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - 20V, Negative | splash10-0udi-0900000000-404830ee9ef93bfec2b8 | Spectrum | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - 40V, Negative | splash10-0fki-2900000000-5d8542e9c4643c74fa54 | Spectrum |
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Toxicity Profile |
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Route of Exposure | Not Available |
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Mechanism of Toxicity | Not Available |
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Metabolism | Not Available |
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Toxicity Values | Not Available |
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Lethal Dose | Not Available |
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Carcinogenicity (IARC Classification) | Not Available |
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Uses/Sources | Not Available |
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Minimum Risk Level | Not Available |
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Health Effects | Not Available |
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Symptoms | Not Available |
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Treatment | Not Available |
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Concentrations |
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External Links |
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DrugBank ID | Not Available |
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HMDB ID | Not Available |
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FooDB ID | Not Available |
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Phenol Explorer ID | Not Available |
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KNApSAcK ID | C00011023 |
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BiGG ID | Not Available |
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BioCyc ID | Not Available |
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METLIN ID | Not Available |
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PDB ID | Not Available |
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Wikipedia Link | Not Available |
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Chemspider ID | Not Available |
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ChEBI ID | 15393 |
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PubChem Compound ID | 6552009 |
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Kegg Compound ID | Not Available |
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YMDB ID | Not Available |
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ECMDB ID | Not Available |
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References |
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Synthesis Reference | Not Available |
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MSDS | Not Available |
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General References | Not Available |
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