Record Information |
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Version | 5.0 |
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Status | Expected but not Quantified |
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Creation Date | 2012-09-11 22:38:15 UTC |
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Update Date | 2022-03-07 02:55:18 UTC |
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HMDB ID | HMDB0037392 |
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Secondary Accession Numbers | |
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Metabolite Identification |
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Common Name | 4(15)-Copaen-11-ol |
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Description | 4(15)-Copaen-11-ol belongs to the class of organic compounds known as sesquiterpenoids. These are terpenes with three consecutive isoprene units. 4(15)-Copaen-11-ol is an extremely weak basic (essentially neutral) compound (based on its pKa). |
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Structure | CC(C)(O)C1CCC2(C)C3CCC(=C)C2C13 InChI=1S/C15H24O/c1-9-5-6-11-12-10(14(2,3)16)7-8-15(11,4)13(9)12/h10-13,16H,1,5-8H2,2-4H3 |
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Synonyms | Value | Source |
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3(15)-Copen-11-ol | HMDB |
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Chemical Formula | C15H24O |
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Average Molecular Weight | 220.3505 |
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Monoisotopic Molecular Weight | 220.18271539 |
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IUPAC Name | 2-{6-methyl-8-methylidenetricyclo[4.4.0.0²,⁷]decan-3-yl}propan-2-ol |
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Traditional Name | 2-{6-methyl-8-methylidenetricyclo[4.4.0.0²,⁷]decan-3-yl}propan-2-ol |
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CAS Registry Number | 133587-94-7 |
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SMILES | CC(C)(O)C1CCC2(C)C3CCC(=C)C2C13 |
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InChI Identifier | InChI=1S/C15H24O/c1-9-5-6-11-12-10(14(2,3)16)7-8-15(11,4)13(9)12/h10-13,16H,1,5-8H2,2-4H3 |
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InChI Key | FVPQQGXKOCOMAU-UHFFFAOYSA-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 | - Copaane sesquiterpenoid
- Sesquiterpenoid
- Tertiary 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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Ontology |
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Physiological effect | Not Available |
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Disposition | |
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Process | |
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Role | |
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Physical Properties |
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State | Not Available |
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Experimental Molecular Properties | Property | Value | Reference |
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Melting Point | Not Available | Not Available | Boiling Point | Not Available | Not Available | Water Solubility | Not Available | Not Available | LogP | Not Available | Not Available |
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Experimental Chromatographic Properties | Not Available |
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Predicted Molecular Properties | |
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Predicted Chromatographic Properties | Predicted Collision Cross SectionsPredicted Kovats Retention IndicesUnderivatizedDerivatized |
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| GC-MS SpectraSpectrum Type | Description | Splash Key | Deposition Date | Source | View |
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Predicted GC-MS | Predicted GC-MS Spectrum - 4(15)-Copaen-11-ol GC-MS (Non-derivatized) - 70eV, Positive | splash10-0a4i-9630000000-8fb239f7eb3a0195db61 | 2017-09-01 | Wishart Lab | View Spectrum | Predicted GC-MS | Predicted GC-MS Spectrum - 4(15)-Copaen-11-ol GC-MS (1 TMS) - 70eV, Positive | splash10-00c9-9550000000-bd61be3e6fd5397f7cdc | 2017-10-06 | Wishart Lab | View Spectrum | Predicted GC-MS | Predicted GC-MS Spectrum - 4(15)-Copaen-11-ol GC-MS (Non-derivatized) - 70eV, Positive | Not Available | 2021-10-12 | Wishart Lab | View Spectrum | Predicted GC-MS | Predicted GC-MS Spectrum - 4(15)-Copaen-11-ol GC-MS (Non-derivatized) - 70eV, Positive | Not Available | 2021-10-12 | Wishart Lab | View Spectrum |
MS/MS SpectraSpectrum Type | Description | Splash Key | Deposition Date | Source | View |
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Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - 4(15)-Copaen-11-ol 10V, Positive-QTOF | splash10-0uk9-0190000000-b8fabf1119fd78c980d1 | 2016-08-03 | Wishart Lab | View Spectrum | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - 4(15)-Copaen-11-ol 20V, Positive-QTOF | splash10-0ir0-0790000000-fe7e9e4d5ceb77189bd3 | 2016-08-03 | Wishart Lab | View Spectrum | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - 4(15)-Copaen-11-ol 40V, Positive-QTOF | splash10-0f79-0940000000-d39dfc9d323b08711874 | 2016-08-03 | Wishart Lab | View Spectrum | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - 4(15)-Copaen-11-ol 10V, Negative-QTOF | splash10-014i-0090000000-4076a0edff5008f983a7 | 2016-08-03 | Wishart Lab | View Spectrum | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - 4(15)-Copaen-11-ol 20V, Negative-QTOF | splash10-02t9-0390000000-b63e03695b43235fc049 | 2016-08-03 | Wishart Lab | View Spectrum | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - 4(15)-Copaen-11-ol 40V, Negative-QTOF | splash10-0ik9-0950000000-75863b3073e9a4d0f266 | 2016-08-03 | Wishart Lab | View Spectrum | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - 4(15)-Copaen-11-ol 10V, Negative-QTOF | splash10-014i-0090000000-4af4c4ee1c4acef7e18b | 2021-09-22 | Wishart Lab | View Spectrum | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - 4(15)-Copaen-11-ol 20V, Negative-QTOF | splash10-014i-0090000000-4af4c4ee1c4acef7e18b | 2021-09-22 | Wishart Lab | View Spectrum | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - 4(15)-Copaen-11-ol 40V, Negative-QTOF | splash10-014i-0090000000-5fe85b43bd7c7c9c9a33 | 2021-09-22 | Wishart Lab | View Spectrum | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - 4(15)-Copaen-11-ol 10V, Positive-QTOF | splash10-0udi-0190000000-7e83b7ef3287c42cc5e4 | 2021-09-22 | Wishart Lab | View Spectrum | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - 4(15)-Copaen-11-ol 20V, Positive-QTOF | splash10-0fk9-0090000000-87aefd42f351ce0791e2 | 2021-09-22 | Wishart Lab | View Spectrum | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - 4(15)-Copaen-11-ol 40V, Positive-QTOF | splash10-06r6-8920000000-4130e9dab5c93fc24768 | 2021-09-22 | Wishart Lab | View Spectrum |
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General References | - Simons K, Toomre D: Lipid rafts and signal transduction. Nat Rev Mol Cell Biol. 2000 Oct;1(1):31-9. [PubMed:11413487 ]
- Watson AD: Thematic review series: systems biology approaches to metabolic and cardiovascular disorders. Lipidomics: a global approach to lipid analysis in biological systems. J Lipid Res. 2006 Oct;47(10):2101-11. Epub 2006 Aug 10. [PubMed:16902246 ]
- Sethi JK, Vidal-Puig AJ: Thematic review series: adipocyte biology. Adipose tissue function and plasticity orchestrate nutritional adaptation. J Lipid Res. 2007 Jun;48(6):1253-62. Epub 2007 Mar 20. [PubMed:17374880 ]
- Lingwood D, Simons K: Lipid rafts as a membrane-organizing principle. Science. 2010 Jan 1;327(5961):46-50. doi: 10.1126/science.1174621. [PubMed:20044567 ]
- (). Yannai, Shmuel. (2004) Dictionary of food compounds with CD-ROM: Additives, flavors, and ingredients. Boca Raton: Chapman & Hall/CRC.. .
- Gunstone, Frank D., John L. Harwood, and Albert J. Dijkstra (2007). The lipid handbook with CD-ROM. CRC Press.
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