Record Information |
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Version | 1.0 |
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Created at | 2021-06-22 17:29:09 UTC |
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Updated at | 2021-06-22 17:29:09 UTC |
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NP-MRD ID | NP0043919 |
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Secondary Accession Numbers | None |
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Natural Product Identification |
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Common Name | Leuconodine B |
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Description | (8R,15R,19R)-15-ethyl-8-hydroxy-1,11-diazapentacyclo[9.7.1.0²,⁷.0⁸,¹⁹.0¹⁵,¹⁹]Nonadeca-2,4,6-triene-10,18-dione belongs to the class of organic compounds known as rhazinilam alkaloids. These are alkaloids with a structure based on the rhazinilam skeleton, a tetracyclic compound with a complex tetracyclic carbon skeleton containing pyrrole ring embedded in its indolizine core. Leuconodine B is found in Leuconotis griffithii. It was first documented in 2013 (PMID: 23647487). Based on a literature review very few articles have been published on (8R,15R,19R)-15-ethyl-8-hydroxy-1,11-diazapentacyclo[9.7.1.0²,⁷.0⁸,¹⁹.0¹⁵,¹⁹]Nonadeca-2,4,6-triene-10,18-dione. |
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Structure | CC[C@@]12CCCN3C(=O)C[C@@]4(O)C5=CC=CC=C5N(C(=O)CC1)[C@@]234 InChI=1S/C19H22N2O3/c1-2-17-9-5-11-20-16(23)12-18(24)13-6-3-4-7-14(13)21(19(17,18)20)15(22)8-10-17/h3-4,6-7,24H,2,5,8-12H2,1H3/t17-,18-,19-/m1/s1 |
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Synonyms | Not Available |
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Chemical Formula | C19H22N2O3 |
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Average Mass | 326.3960 Da |
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Monoisotopic Mass | 326.16304 Da |
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IUPAC Name | (8R,15R,19R)-15-ethyl-8-hydroxy-1,11-diazapentacyclo[9.7.1.0^{2,7}.0^{8,19}.0^{15,19}]nonadeca-2,4,6-triene-10,18-dione |
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Traditional Name | (8R,15R,19R)-15-ethyl-8-hydroxy-1,11-diazapentacyclo[9.7.1.0^{2,7}.0^{8,19}.0^{15,19}]nonadeca-2,4,6-triene-10,18-dione |
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CAS Registry Number | Not Available |
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SMILES | CC[C@@]12CCCN3C(=O)C[C@@]4(O)C5=CC=CC=C5N(C(=O)CC1)[C@@]234 |
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InChI Identifier | InChI=1S/C19H22N2O3/c1-2-17-9-5-11-20-16(23)12-18(24)13-6-3-4-7-14(13)21(19(17,18)20)15(22)8-10-17/h3-4,6-7,24H,2,5,8-12H2,1H3/t17-,18-,19-/m1/s1 |
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InChI Key | LZUIMMLDZPLMRH-GUDVDZBRSA-N |
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Experimental Spectra |
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| Spectrum Type | Description | Depositor Email | Depositor Organization | Depositor | Deposition Date | View |
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1D NMR | 13C NMR Spectrum (1D, 100 MHz, Chloroform-d, simulated) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | 1D NMR | 1H NMR Spectrum (1D, 400 MHz, Chloroform-d, simulated) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | 1D NMR | 13C NMR Spectrum (1D, 50 MHz, Chloroform-d, simulated) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | 1D NMR | 13C NMR Spectrum (1D, 150 MHz, Chloroform-d, simulated) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | 1D NMR | 13C NMR Spectrum (1D, 250 MHz, Chloroform-d, simulated) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | 1D NMR | 13C NMR Spectrum (1D, 175 MHz, Chloroform-d, simulated) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | 1D NMR | 13C NMR Spectrum (1D, 75 MHz, Chloroform-d, simulated) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | 1D NMR | 13C NMR Spectrum (1D, 225 MHz, Chloroform-d, simulated) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | 1D NMR | 13C NMR Spectrum (1D, 200 MHz, Chloroform-d, simulated) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | 1D NMR | 13C NMR Spectrum (1D, 125 MHz, Chloroform-d, simulated) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | 1D NMR | 13C NMR Spectrum (1D, 25 MHz, Chloroform-d, simulated) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | 1D NMR | 1H NMR Spectrum (1D, 300 MHz, Chloroform-d, simulated) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | 1D NMR | 1H NMR Spectrum (1D, 900 MHz, Chloroform-d, simulated) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | 1D NMR | 1H NMR Spectrum (1D, 700 MHz, Chloroform-d, simulated) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | 1D NMR | 1H NMR Spectrum (1D, 100 MHz, Chloroform-d, simulated) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | 1D NMR | 1H NMR Spectrum (1D, 500 MHz, Chloroform-d, simulated) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | 1D NMR | 1H NMR Spectrum (1D, 1000 MHz, Chloroform-d, simulated) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | 1D NMR | 1H NMR Spectrum (1D, 800 MHz, Chloroform-d, simulated) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | 1D NMR | 1H NMR Spectrum (1D, 200 MHz, Chloroform-d, simulated) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | 1D NMR | 1H NMR Spectrum (1D, 600 MHz, Chloroform-d, simulated) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum |
| Predicted Spectra |
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| Not Available | 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 rhazinilam alkaloids. These are alkaloids with a structure based on the rhazinilam skeleton, a tetracyclic compound with a complex tetracyclic carbon skeleton containing pyrrole ring embedded in its indolizine core. |
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Kingdom | Organic compounds |
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Super Class | Alkaloids and derivatives |
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Class | Rhazinilam alkaloids |
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Sub Class | Not Available |
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Direct Parent | Rhazinilam alkaloids |
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Alternative Parents | |
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Substituents | - Rhazinilam skeleton
- Pyrroloindole
- Diazanaphthalene
- Azaspirodecane
- Naphthyridine
- Indole
- Indole or derivatives
- Indolizidine
- Delta-lactam
- Piperidinone
- Piperidine
- Pyrrolidone
- 2-pyrrolidone
- Benzenoid
- N-alkylpyrrolidine
- Tertiary carboxylic acid amide
- Pyrrolidine
- Pyrrole
- Tertiary alcohol
- Carboxamide group
- Lactam
- Organoheterocyclic compound
- Carboxylic acid derivative
- Azacycle
- Alcohol
- Hydrocarbon derivative
- Organic oxide
- Organopnictogen compound
- Organic oxygen compound
- Organonitrogen compound
- Organic nitrogen compound
- Carbonyl group
- Organooxygen compound
- Aromatic heteropolycyclic compound
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Molecular Framework | Aromatic 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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