Record Information |
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Version | 2.0 |
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Created at | 2021-01-06 02:16:41 UTC |
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Updated at | 2021-07-15 17:25:56 UTC |
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NP-MRD ID | NP0017604 |
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Secondary Accession Numbers | None |
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Natural Product Identification |
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Common Name | Kinanthraquinone |
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Provided By | NPAtlas |
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Description | Kinanthraquinone is found in Streptomyces. Kinanthraquinone was first documented in 2018 (PMID: 29410517). Based on a literature review very few articles have been published on Kinanthraquinone. |
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Structure | [H]OC1=C2C(=O)C3=C([H])C([H])=C(OC([H])([H])[H])C(OC([H])([H])[H])=C3C(=O)C2=C([H])C([H])=C1\C([H])=C(/C([H])([H])[H])C([H])([H])C(=O)N([H])[H] InChI=1S/C21H19NO6/c1-10(9-15(22)23)8-11-4-5-12-16(18(11)24)19(25)13-6-7-14(27-2)21(28-3)17(13)20(12)26/h4-8,24H,9H2,1-3H3,(H2,22,23)/b10-8+ |
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Synonyms | Value | Source |
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4-(1-Hydroxy-5,6-dimethoxy-9,10-dioxo-9,10-dihydroanthracen-2-yl)-3-methylbut-3-enimidate | Generator |
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Chemical Formula | C21H19NO6 |
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Average Mass | 381.3840 Da |
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Monoisotopic Mass | 381.12124 Da |
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IUPAC Name | (3E)-4-(1-hydroxy-5,6-dimethoxy-9,10-dioxo-9,10-dihydroanthracen-2-yl)-3-methylbut-3-enamide |
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Traditional Name | (3E)-4-(1-hydroxy-5,6-dimethoxy-9,10-dioxoanthracen-2-yl)-3-methylbut-3-enamide |
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CAS Registry Number | Not Available |
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SMILES | COC1=C(OC)C2=C(C=C1)C(=O)C1=C(C=CC(C=C(C)CC(N)=O)=C1O)C2=O |
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InChI Identifier | InChI=1S/C21H19NO6/c1-10(9-15(22)23)8-11-4-5-12-16(18(11)24)19(25)13-6-7-14(27-2)21(28-3)17(13)20(12)26/h4-8,24H,9H2,1-3H3,(H2,22,23) |
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InChI Key | MFRLYJDZURPKEB-UHFFFAOYSA-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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