| Record Information |
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| Version | 2.0 |
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| Created at | 2021-01-05 23:44:39 UTC |
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| Updated at | 2021-07-15 17:17:48 UTC |
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| NP-MRD ID | NP0014630 |
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| Secondary Accession Numbers | None |
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| Natural Product Identification |
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| Common Name | Marinoazepinone A |
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| Provided By | NPAtlas |
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| Description | Marinoazepinone A is found in Mooreia and Mooreia alkaloidigena. Based on a literature review very few articles have been published on 8-(4-hydroxyphenyl)-9-methyl-5,9-diazatricyclo[8.4.0.0²,⁶]Tetradeca-1(14),2(6),3,10,12-pentaen-7-one. |
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| Structure | [H]OC1=C([H])C([H])=C(C([H])=C1[H])[C@]1([H])N(C2=C([H])C([H])=C([H])C([H])=C2C2=C(N([H])C([H])=C2[H])C1=O)C([H])([H])[H] InChI=1S/C19H16N2O2/c1-21-16-5-3-2-4-14(16)15-10-11-20-17(15)19(23)18(21)12-6-8-13(22)9-7-12/h2-11,18,20,22H,1H3/t18-/m0/s1 |
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| Synonyms | Not Available |
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| Chemical Formula | C19H16N2O2 |
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| Average Mass | 304.3490 Da |
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| Monoisotopic Mass | 304.12118 Da |
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| IUPAC Name | (8S)-8-(4-hydroxyphenyl)-9-methyl-5,9-diazatricyclo[8.4.0.0^{2,6}]tetradeca-1(14),2(6),3,10,12-pentaen-7-one |
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| Traditional Name | (8S)-8-(4-hydroxyphenyl)-9-methyl-5,9-diazatricyclo[8.4.0.0^{2,6}]tetradeca-1(14),2(6),3,10,12-pentaen-7-one |
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| CAS Registry Number | Not Available |
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| SMILES | CN1C(C2=CC=C(O)C=C2)C(=O)C2=C(C=CN2)C2=CC=CC=C12 |
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| InChI Identifier | InChI=1S/C19H16N2O2/c1-21-16-5-3-2-4-14(16)15-10-11-20-17(15)19(23)18(21)12-6-8-13(22)9-7-12/h2-11,18,20,22H,1H3 |
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| InChI Key | AVGNIFTUBAVXTR-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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