Record Information |
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Version | 1.0 |
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Creation Date | 2016-05-25 22:38:15 UTC |
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Update Date | 2016-11-09 01:18:10 UTC |
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Accession Number | CHEM025846 |
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Identification |
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Common Name | Germacrene |
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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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(1E,5E)-8-Isopropylidene-1,5-dimethylcyclodeca-1,5-diene | ChEBI | (e,e)-Germacra-1(10),4,7(11)-triene | ChEBI | 1,5-Dimethyl-8-(1-methylethylidene)-1,5-cyclodecadiene | ChEBI | Germacra-1(10),4,7(11)-triene | ChEBI | Germacrene b | ChEBI | (e,e)-Germacrene b | Kegg | (e,e)-1,5-Dimethyl-8-(1-methylethylidene)-1,5-cyclodecadiene | Kegg | (1E,5E)-1,5-Dimethyl-8-(1-methylethylidene)-1,5-cyclodecadiene | PhytoBank |
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Chemical Formula | C15H24 |
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Average Molecular Mass | 204.351 g/mol |
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Monoisotopic Mass | 204.188 g/mol |
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CAS Registry Number | Not Available |
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IUPAC Name | (1E,5E)-1,5-dimethyl-8-(propan-2-ylidene)cyclodeca-1,5-diene |
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Traditional Name | germacrene B |
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SMILES | CC(C)=C1CC\C(C)=C\CC\C(C)=C\C1 |
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InChI Identifier | InChI=1S/C15H24/c1-12(2)15-10-8-13(3)6-5-7-14(4)9-11-15/h6,9H,5,7-8,10-11H2,1-4H3/b13-6+,14-9+ |
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InChI Key | GXEGJTGWYVZSNR-SJRHNVSNSA-N |
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Chemical Taxonomy |
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Description | belongs to the class of organic compounds known as germacrane sesquiterpenoids. These are sesquiterpenoids having the germacrane skeleton, with a structure characterized by a cyclodecane ring substituted with an isopropyl and two methyl groups. |
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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 | Germacrane sesquiterpenoids |
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Alternative Parents | |
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Substituents | - Germacrane sesquiterpenoid
- Branched unsaturated hydrocarbon
- Cyclic olefin
- Unsaturated aliphatic hydrocarbon
- Unsaturated hydrocarbon
- Olefin
- Hydrocarbon
- Aliphatic homomonocyclic compound
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Molecular Framework | Aliphatic homomonocyclic 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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Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - 10V, Positive | splash10-0a4i-0390000000-f8f5e306a908b157ca43 | Spectrum | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - 20V, Positive | splash10-0cdi-3940000000-c9f59ec152695c4cff51 | Spectrum | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - 40V, Positive | splash10-0gc9-9800000000-f4ebc761a5a959f063da | Spectrum | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - 10V, Negative | splash10-0udi-0090000000-f52a559ff7e76c67b7d8 | Spectrum | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - 20V, Negative | splash10-0udi-0290000000-9590e4fe2d4e7c5b0851 | Spectrum | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - 40V, Negative | splash10-01p9-2900000000-0bbea13842aa92bdb11a | Spectrum | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - 10V, Positive | splash10-08fr-0960000000-af7b54be4815642504fa | Spectrum | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - 20V, Positive | splash10-0900-0940000000-6a3d7fdfafd3808d95e5 | Spectrum | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - 40V, Positive | splash10-0006-9000000000-cf8a44d4b4800e46a6f2 | Spectrum | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - 10V, Negative | splash10-0udi-0090000000-7ccf03fa1149a1e9f55f | Spectrum | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - 20V, Negative | splash10-0udi-0090000000-7ccf03fa1149a1e9f55f | Spectrum | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - 40V, Negative | splash10-0f79-0940000000-710d68dee1ed6f90617e | 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 | HMDB0302609 |
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FooDB ID | FDB005344 |
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Phenol Explorer ID | Not Available |
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KNApSAcK ID | C00003134 |
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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 | 4444852 |
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ChEBI ID | 5337 |
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PubChem Compound ID | Not Available |
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Kegg Compound ID | C09672 |
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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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