Record Information |
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Version | 1.0 |
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Created at | 2022-09-07 02:34:51 UTC |
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Updated at | 2022-09-07 02:34:51 UTC |
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NP-MRD ID | NP0242289 |
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Secondary Accession Numbers | None |
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Natural Product Identification |
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Common Name | (1r,2s,9r,10r)-7,14-diazatetracyclo[7.6.1.0²,⁷.0¹⁰,¹⁴]hexadecan-6-one |
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Description | 58845-84-4 Belongs to the class of organic compounds known as leontidine-type alkaloids. These are lupin alkaloids with a structure based on the leontidine skeleton, a tetracyclic compound containing fused piperidine, pyridine, and pyrrolidine rings. (1r,2s,9r,10r)-7,14-diazatetracyclo[7.6.1.0²,⁷.0¹⁰,¹⁴]hexadecan-6-one is found in Camoensia scandens. Based on a literature review very few articles have been published on 58845-84-4. |
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Structure | O=C1CCC[C@H]2[C@@H]3C[C@H](CN12)[C@H]1CCCN1C3 InChI=1S/C14H22N2O/c17-14-5-1-3-13-10-7-11(9-16(13)14)12-4-2-6-15(12)8-10/h10-13H,1-9H2/t10-,11-,12-,13+/m1/s1 |
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Synonyms | Not Available |
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Chemical Formula | C14H22N2O |
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Average Mass | 234.3430 Da |
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Monoisotopic Mass | 234.17321 Da |
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IUPAC Name | (1R,2S,9R,10R)-7,14-diazatetracyclo[7.6.1.0^{2,7}.0^{10,14}]hexadecan-6-one |
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Traditional Name | (1R,2S,9R,10R)-7,14-diazatetracyclo[7.6.1.0^{2,7}.0^{10,14}]hexadecan-6-one |
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CAS Registry Number | Not Available |
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SMILES | O=C1CCC[C@H]2[C@@H]3C[C@H](CN12)[C@H]1CCCN1C3 |
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InChI Identifier | InChI=1S/C14H22N2O/c17-14-5-1-3-13-10-7-11(9-16(13)14)12-4-2-6-15(12)8-10/h10-13H,1-9H2/t10-,11-,12-,13+/m1/s1 |
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InChI Key | ZALYGVJIPDSPLI-LPWJVIDDSA-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 leontidine-type alkaloids. These are lupin alkaloids with a structure based on the leontidine skeleton, a tetracyclic compound containing fused piperidine, pyridine, and pyrrolidine rings. |
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Kingdom | Organic compounds |
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Super Class | Alkaloids and derivatives |
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Class | Lupin alkaloids |
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Sub Class | Leontidine-type alkaloids |
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Direct Parent | Leontidine-type alkaloids |
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Alternative Parents | |
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Substituents | - Leontidine alkaloid skeleton
- Quinolizidinone
- Quinolizidine
- Indolizidine
- Delta-lactam
- Piperidinone
- Piperidine
- N-alkylpyrrolidine
- Pyrrolidine
- Tertiary carboxylic acid amide
- Tertiary amine
- Tertiary aliphatic amine
- Amino acid or derivatives
- Carboxamide group
- Lactam
- Organoheterocyclic compound
- Azacycle
- Carboxylic acid derivative
- Amine
- Organopnictogen compound
- Organonitrogen compound
- Organic oxygen compound
- Organic nitrogen compound
- Organooxygen compound
- Organic oxide
- Carbonyl group
- Hydrocarbon derivative
- Aliphatic heteropolycyclic compound
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Molecular Framework | Aliphatic heteropolycyclic 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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