Record Information |
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Version | 1.0 |
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Created at | 2020-12-09 00:53:47 UTC |
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Updated at | 2021-07-15 16:47:12 UTC |
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NP-MRD ID | NP0003725 |
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Secondary Accession Numbers | None |
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Natural Product Identification |
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Common Name | Cordypyridone B |
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Provided By | NPAtlas |
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Description | Cordypyridone B is found in Akanthomyces gracilis, Cordyceps and Polycephalomyces nipponicus. It was first documented in 2001 (PMID: 11442408). Based on a literature review very few articles have been published on 3-[(1R,2S,4R,6S)-2-ethenyl-2,4,6-trimethylcyclohexyl]-1,4-dihydroxy-1,2-dihydropyridin-2-one. |
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Structure | [H]ON1C([H])=C([H])C(O[H])=C(C1=O)[C@]1([H])[C@@]([H])(C([H])([H])[H])C([H])([H])[C@@]([H])(C([H])([H])[H])C([H])([H])[C@]1(C([H])=C([H])[H])C([H])([H])[H] InChI=1S/C16H23NO3/c1-5-16(4)9-10(2)8-11(3)14(16)13-12(18)6-7-17(20)15(13)19/h5-7,10-11,14,18,20H,1,8-9H2,2-4H3/t10-,11+,14+,16-/m1/s1 |
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Synonyms | Value | Source |
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Cordypyridone b | MeSH |
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Chemical Formula | C16H23NO3 |
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Average Mass | 277.3640 Da |
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Monoisotopic Mass | 277.16779 Da |
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IUPAC Name | 3-[(2S,4R,6S)-2-ethenyl-2,4,6-trimethylcyclohexyl]-1,4-dihydroxy-1,2-dihydropyridin-2-one |
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Traditional Name | 3-[(2S,4R,6S)-2-ethenyl-2,4,6-trimethylcyclohexyl]-1,4-dihydroxypyridin-2-one |
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CAS Registry Number | Not Available |
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SMILES | C[C@@H]1C[C@H](C)[C@@H](C2=C(O)C=CN(O)C2=O)[C@@](C)(C1)C=C |
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InChI Identifier | InChI=1S/C16H23NO3/c1-5-16(4)9-10(2)8-11(3)14(16)13-12(18)6-7-17(20)15(13)19/h5-7,10-11,14,18,20H,1,8-9H2,2-4H3/t10-,11+,14+,16-/m1/s1 |
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InChI Key | RUYMPIIPQAXOTF-PSHZPRKYSA-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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