Record Information |
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Version | 2.0 |
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Created at | 2022-09-10 16:58:38 UTC |
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Updated at | 2022-09-10 16:58:39 UTC |
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NP-MRD ID | NP0303009 |
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Secondary Accession Numbers | None |
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Natural Product Identification |
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Common Name | (2e,4e)-13-hydroxy-n-(1-hydroxypropan-2-yl)-2,10,12,14,16-pentamethyloctadeca-2,4,6,8,10,14-hexaenimidic acid |
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Description | (2E,4E)-13-hydroxy-N-(1-hydroxypropan-2-yl)-2,10,12,14,16-pentamethyloctadeca-2,4,6,8,10,14-hexaenimidic acid belongs to the class of organic compounds known as acyclic monoterpenoids. (2e,4e)-13-hydroxy-n-(1-hydroxypropan-2-yl)-2,10,12,14,16-pentamethyloctadeca-2,4,6,8,10,14-hexaenimidic acid is found in Myxococcus xanthus. These are monoterpenes that do not contain a cycle (2E,4E)-13-hydroxy-N-(1-hydroxypropan-2-yl)-2,10,12,14,16-pentamethyloctadeca-2,4,6,8,10,14-hexaenimidic acid is an extremely weak basic (essentially neutral) compound (based on its pKa). |
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Structure | CCC(C)C=C(C)C(O)C(C)C=C(C)C=CC=C\C=C\C=C(/C)C(=O)NC(C)CO InChI=1S/C26H41NO3/c1-8-19(2)16-22(5)25(29)23(6)17-20(3)14-12-10-9-11-13-15-21(4)26(30)27-24(7)18-28/h9-17,19,23-25,28-29H,8,18H2,1-7H3,(H,27,30)/b10-9?,13-11+,14-12?,20-17?,21-15+,22-16? |
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Synonyms | Value | Source |
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(2E,4E)-13-Hydroxy-N-(1-hydroxypropan-2-yl)-2,10,12,14,16-pentamethyloctadeca-2,4,6,8,10,14-hexaenimidate | Generator |
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Chemical Formula | C26H41NO3 |
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Average Mass | 415.6180 Da |
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Monoisotopic Mass | 415.30864 Da |
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IUPAC Name | (2E,4E)-13-hydroxy-N-(1-hydroxypropan-2-yl)-2,10,12,14,16-pentamethyloctadeca-2,4,6,8,10,14-hexaenamide |
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Traditional Name | (2E,4E)-13-hydroxy-N-(1-hydroxypropan-2-yl)-2,10,12,14,16-pentamethyloctadeca-2,4,6,8,10,14-hexaenamide |
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CAS Registry Number | Not Available |
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SMILES | CCC(C)C=C(C)C(O)C(C)C=C(C)C=CC=C\C=C\C=C(/C)C(=O)NC(C)CO |
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InChI Identifier | InChI=1S/C26H41NO3/c1-8-19(2)16-22(5)25(29)23(6)17-20(3)14-12-10-9-11-13-15-21(4)26(30)27-24(7)18-28/h9-17,19,23-25,28-29H,8,18H2,1-7H3,(H,27,30)/b10-9?,13-11+,14-12?,20-17?,21-15+,22-16? |
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InChI Key | GDEZZTBHSFKRJN-ALIGYPJUSA-N |
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Experimental Spectra |
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| Not Available | Predicted Spectra |
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| Spectrum Type | Description | Depositor ID | Depositor Organization | Depositor | Deposition Date | View |
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1D NMR | 13C NMR Spectrum (1D, 25 MHz, H2O, predicted) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | 1D NMR | 1H NMR Spectrum (1D, 100 MHz, H2O, predicted) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | 1D NMR | 13C NMR Spectrum (1D, 252 MHz, H2O, predicted) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | 1D NMR | 1H NMR Spectrum (1D, 1000 MHz, H2O, predicted) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | 1D NMR | 13C NMR Spectrum (1D, 50 MHz, H2O, predicted) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | 1D NMR | 1H NMR Spectrum (1D, 200 MHz, H2O, predicted) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | 1D NMR | 13C NMR Spectrum (1D, 75 MHz, H2O, predicted) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | 1D NMR | 1H NMR Spectrum (1D, 300 MHz, H2O, predicted) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | 1D NMR | 13C NMR Spectrum (1D, 101 MHz, H2O, predicted) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | 1D NMR | 1H NMR Spectrum (1D, 400 MHz, H2O, predicted) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | 1D NMR | 13C NMR Spectrum (1D, 126 MHz, H2O, predicted) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | 1D NMR | 1H NMR Spectrum (1D, 500 MHz, H2O, predicted) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | 1D NMR | 13C NMR Spectrum (1D, 151 MHz, H2O, predicted) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | 1D NMR | 1H NMR Spectrum (1D, 600 MHz, H2O, predicted) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | 1D NMR | 13C NMR Spectrum (1D, 176 MHz, H2O, predicted) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | 1D NMR | 1H NMR Spectrum (1D, 700 MHz, H2O, predicted) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | 1D NMR | 13C NMR Spectrum (1D, 201 MHz, H2O, predicted) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | 1D NMR | 1H NMR Spectrum (1D, 800 MHz, H2O, predicted) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | 1D NMR | 13C NMR Spectrum (1D, 226 MHz, H2O, predicted) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | 1D NMR | 1H NMR Spectrum (1D, 900 MHz, H2O, predicted) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum |
| Chemical Shift Submissions |
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| Not Available | Species |
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Species of Origin | |
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Chemical Taxonomy |
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Description | Belongs to the class of organic compounds known as acyclic monoterpenoids. These are monoterpenes that do not contain a cycle. |
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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 | Acyclic monoterpenoids |
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Alternative Parents | |
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Substituents | - Acyclic monoterpenoid
- Secondary alcohol
- Organic 1,3-dipolar compound
- Propargyl-type 1,3-dipolar organic compound
- Carboximidic acid derivative
- Carboximidic acid
- Organic nitrogen compound
- Organic oxygen compound
- Organopnictogen compound
- Hydrocarbon derivative
- Primary alcohol
- Organooxygen compound
- Organonitrogen compound
- Alcohol
- Aliphatic acyclic compound
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Molecular Framework | Aliphatic acyclic compounds |
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External Descriptors | Not Available |
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Physical Properties |
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State | Not Available |
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Experimental 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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Predicted Properties | |
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