Record Information |
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Version | 1.0 |
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Created at | 2021-01-05 22:47:26 UTC |
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Updated at | 2021-07-15 17:14:27 UTC |
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NP-MRD ID | NP0013423 |
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Secondary Accession Numbers | None |
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Natural Product Identification |
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Common Name | Inducamide C |
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Provided By | NPAtlas |
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Description | Inducamide C is found in Streptomyces sp. It was first documented in 2014 (PMID: 25338006). Based on a literature review very few articles have been published on Inducamide C. |
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Structure | [H]OC1=C2C(N([H])C([H])=C2C([H])([H])[C@@]2([H])N([H])C(=O)C3=C(OC2=O)C([H])=C([H])C(Cl)=C3C([H])([H])[H])=C([H])C(Cl)=C1[H] InChI=1S/C19H14Cl2N2O4/c1-8-11(21)2-3-15-16(8)18(25)23-13(19(26)27-15)4-9-7-22-12-5-10(20)6-14(24)17(9)12/h2-3,5-7,13,22,24H,4H2,1H3,(H,23,25)/t13-/m1/s1 |
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Synonyms | Not Available |
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Chemical Formula | C19H14Cl2N2O4 |
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Average Mass | 405.2300 Da |
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Monoisotopic Mass | 404.03306 Da |
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IUPAC Name | (3R)-7-chloro-3-[(6-chloro-4-hydroxy-1H-indol-3-yl)methyl]-6-methyl-2,3,4,5-tetrahydro-1,4-benzoxazepine-2,5-dione |
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Traditional Name | (3R)-7-chloro-3-[(6-chloro-4-hydroxy-1H-indol-3-yl)methyl]-6-methyl-3,4-dihydro-1,4-benzoxazepine-2,5-dione |
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CAS Registry Number | Not Available |
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SMILES | CC1=C(Cl)C=CC2=C1C(=O)N[C@H](CC1=CNC3=CC(Cl)=CC(O)=C13)C(=O)O2 |
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InChI Identifier | InChI=1S/C19H14Cl2N2O4/c1-8-11(21)2-3-15-16(8)18(25)23-13(19(26)27-15)4-9-7-22-12-5-10(20)6-14(24)17(9)12/h2-3,5-7,13,22,24H,4H2,1H3,(H,23,25)/t13-/m1/s1 |
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InChI Key | QNKACDOEAZKFNQ-CYBMUJFWSA-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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