Record Information |
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Version | 1.0 |
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Creation Date | 2016-05-25 22:26:22 UTC |
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Update Date | 2016-11-09 01:18:06 UTC |
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Accession Number | CHEM025507 |
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Identification |
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Common Name | Muurolol |
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Class | Small Molecule |
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Description | Not Available |
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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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Δ-cadinol | Generator | 1beta-Cadin-4-en-10-ol | PhytoBank | 1β-Cadin-4-en-10-ol | PhytoBank | Torreyol | PhytoBank | (-)-1beta-Cadin-4-en-10-ol | PhytoBank | (-)-1β-Cadin-4-en-10-ol | PhytoBank | (-)-Cedreanol | PhytoBank | (-)-Torreyol | PhytoBank | (-)-delta-Cadinol | PhytoBank | (-)-δ-Cadinol | PhytoBank | 1-epi-alpha-Cadinol | PhytoBank | 1-epi-α-Cadinol | PhytoBank | Amorphan-3-en-9-ol | PhytoBank | delta-Cadinol | PhytoBank |
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Chemical Formula | C15H26O |
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Average Molecular Mass | 222.372 g/mol |
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Monoisotopic Mass | 222.198 g/mol |
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CAS Registry Number | Not Available |
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IUPAC Name | (1R,4S,4aR,8aS)-1,6-dimethyl-4-(propan-2-yl)-1,2,3,4,4a,7,8,8a-octahydronaphthalen-1-ol |
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Traditional Name | delta-cadinol |
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SMILES | [H][C@]1(CC[C@@](C)(O)[C@@]2([H])CCC(C)=C[C@@]12[H])C(C)C |
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InChI Identifier | InChI=1S/C15H26O/c1-10(2)12-7-8-15(4,16)14-6-5-11(3)9-13(12)14/h9-10,12-14,16H,5-8H2,1-4H3/t12-,13-,14-,15+/m0/s1 |
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InChI Key | LHYHMMRYTDARSZ-ZQDZILKHSA-N |
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Chemical Taxonomy |
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Description | belongs to the class of organic compounds known as sesquiterpenoids. These are terpenes with three consecutive isoprene units. |
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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 | Sesquiterpenoids |
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Direct Parent | Sesquiterpenoids |
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Alternative Parents | |
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Substituents | - Sesquiterpenoid
- Cadinane sesquiterpenoid
- Tertiary alcohol
- Cyclic 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 | Not Available |
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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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Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - 10V, Positive | splash10-0ab9-0290000000-3a51aea96731a5cc8f97 | Spectrum | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - 20V, Positive | splash10-0c00-5960000000-eaf0d906d2502a8a38c5 | Spectrum | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - 40V, Positive | splash10-0gbm-9700000000-cb13ceb1a7ecb03c3913 | Spectrum | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - 10V, Negative | splash10-00di-0090000000-af28dc9112303b3e81b8 | Spectrum | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - 20V, Negative | splash10-00di-0090000000-c80407f6233208a122f6 | Spectrum | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - 40V, Negative | splash10-0bvi-2940000000-59e13730281456be76a4 | Spectrum | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - 10V, Positive | splash10-00di-0490000000-72676274303cdcc9c066 | Spectrum | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - 20V, Positive | splash10-006t-5920000000-29f3c53283c49d674b00 | Spectrum | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - 40V, Positive | splash10-014v-9300000000-f806aad89e6066edfd27 | Spectrum | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - 10V, Negative | splash10-00di-0090000000-ab61d8a2af41e6ed2e49 | Spectrum | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - 20V, Negative | splash10-00di-0090000000-9427e9ff4d97889ac059 | Spectrum | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - 40V, Negative | splash10-0udi-0190000000-45352a4df7314a06ea47 | 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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| Not Available |
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External Links |
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DrugBank ID | Not Available |
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HMDB ID | HMDB0302334 |
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FooDB ID | FDB004164 |
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Phenol Explorer ID | Not Available |
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KNApSAcK ID | C00020150 |
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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 | 2341398 |
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ChEBI ID | Not Available |
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PubChem Compound ID | 3084311 |
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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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