Record Information |
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Version | 1.0 |
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Created at | 2021-01-05 23:54:09 UTC |
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Updated at | 2021-07-15 17:18:22 UTC |
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NP-MRD ID | NP0014850 |
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Secondary Accession Numbers | None |
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Natural Product Identification |
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Common Name | Xestostreptin |
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Provided By | NPAtlas |
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Description | Xestostreptin is found in Streptomyces sp. It was first documented in 2015 (PMID: 26508548). Based on a literature review very few articles have been published on (6S)-5-hydroxy-6-[(1S)-1-methoxyethyl]-1-methyl-3-methylidene-1,2,3,6-tetrahydropyrazin-2-one. |
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Structure | [H]C([H])=C1N([H])C(=O)[C@@]([H])(N(C1=O)C([H])([H])[H])[C@@]([H])(OC([H])([H])[H])C([H])([H])[H] InChI=1S/C9H14N2O3/c1-5-9(13)11(3)7(6(2)14-4)8(12)10-5/h6-7H,1H2,2-4H3,(H,10,12)/t6-,7-/m0/s1 |
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Synonyms | Not Available |
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Chemical Formula | C9H14N2O3 |
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Average Mass | 198.2220 Da |
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Monoisotopic Mass | 198.10044 Da |
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IUPAC Name | (6S)-6-[(1S)-1-methoxyethyl]-1-methyl-3-methylidenepiperazine-2,5-dione |
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Traditional Name | (6S)-6-[(1S)-1-methoxyethyl]-1-methyl-3-methylidenepiperazine-2,5-dione |
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CAS Registry Number | Not Available |
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SMILES | CO[C@@H](C)[C@@H]1N(C)C(=O)C(=C)NC1=O |
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InChI Identifier | InChI=1S/C9H14N2O3/c1-5-9(13)11(3)7(6(2)14-4)8(12)10-5/h6-7H,1H2,2-4H3,(H,10,12)/t6-,7-/m0/s1 |
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InChI Key | GXNDDRVCUBWYBN-BQBZGAKWSA-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, D2O, predicted) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | 1D NMR | 1H NMR Spectrum (1D, 100 MHz, D2O, predicted) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | 1D NMR | 13C NMR Spectrum (1D, 252 MHz, D2O, predicted) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | 1D NMR | 1H NMR Spectrum (1D, 1000 MHz, D2O, predicted) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | 1D NMR | 13C NMR Spectrum (1D, 50 MHz, D2O, predicted) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | 1D NMR | 1H NMR Spectrum (1D, 200 MHz, D2O, predicted) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | 1D NMR | 13C NMR Spectrum (1D, 75 MHz, D2O, predicted) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | 1D NMR | 1H NMR Spectrum (1D, 300 MHz, D2O, predicted) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | 1D NMR | 13C NMR Spectrum (1D, 101 MHz, D2O, predicted) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | 1D NMR | 1H NMR Spectrum (1D, 400 MHz, D2O, predicted) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | 1D NMR | 13C NMR Spectrum (1D, 126 MHz, D2O, predicted) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | 1D NMR | 1H NMR Spectrum (1D, 500 MHz, D2O, predicted) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | 1D NMR | 13C NMR Spectrum (1D, 151 MHz, D2O, predicted) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | 1D NMR | 1H NMR Spectrum (1D, 600 MHz, D2O, predicted) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | 1D NMR | 13C NMR Spectrum (1D, 176 MHz, D2O, predicted) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | 1D NMR | 1H NMR Spectrum (1D, 700 MHz, D2O, predicted) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | 1D NMR | 13C NMR Spectrum (1D, 201 MHz, D2O, predicted) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | 1D NMR | 1H NMR Spectrum (1D, 800 MHz, D2O, predicted) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | 1D NMR | 13C NMR Spectrum (1D, 226 MHz, D2O, predicted) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | 1D NMR | 1H NMR Spectrum (1D, 900 MHz, D2O, 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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Classification | Not classified |
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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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