Record Information |
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Version | 1.0 |
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Created at | 2020-12-09 01:29:29 UTC |
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Updated at | 2021-07-15 16:47:50 UTC |
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NP-MRD ID | NP0003957 |
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Secondary Accession Numbers | None |
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Natural Product Identification |
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Common Name | Serantrypinone |
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Provided By | NPAtlas |
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Description | Serantrypinone is found in Penicillium thymicola. It was first documented in 2001 (PMID: 11754624). Based on a literature review very few articles have been published on (1'R,3S,12'R)-2,15'-dihydroxy-12'-(hydroxymethyl)-2',10',16'-triazaspiro[indole-3,13'-tetracyclo[10.2.2.0²,¹¹.0⁴,⁹]Hexadecane]-4',6',8',10',15'-pentaen-3'-one. |
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Structure | [H]OC([H])([H])[C@]12N([H])C(=O)[C@]([H])(N3C(=O)C4=C([H])C([H])=C([H])C([H])=C4N=C13)C([H])([H])[C@@]21C(=O)N([H])C2=C([H])C([H])=C([H])C([H])=C12 InChI=1S/C21H16N4O4/c26-10-21-18-22-13-7-3-1-5-11(13)17(28)25(18)15(16(27)24-21)9-20(21)12-6-2-4-8-14(12)23-19(20)29/h1-8,15,26H,9-10H2,(H,23,29)(H,24,27)/t15-,20-,21+/m1/s1 |
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Synonyms | Value | Source |
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Seran-trypinone | MeSH |
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Chemical Formula | C21H16N4O4 |
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Average Mass | 388.3830 Da |
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Monoisotopic Mass | 388.11716 Da |
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IUPAC Name | (1'R,3S,12'R)-12'-(hydroxymethyl)-1,2-dihydro-2',10',16'-triazaspiro[indole-3,13'-tetracyclo[10.2.2.0^{2,11}.0^{4,9}]hexadecane]-4',6',8',10'-tetraene-2,3',15'-trione |
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Traditional Name | (1'R,3S,12'R)-12'-(hydroxymethyl)-1H-2',10',16'-triazaspiro[indole-3,13'-tetracyclo[10.2.2.0^{2,11}.0^{4,9}]hexadecane]-4',6',8',10'-tetraene-2,3',15'-trione |
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CAS Registry Number | Not Available |
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SMILES | OC[C@@]12NC(=O)[C@@H](C[C@@]11C(=O)NC3=CC=CC=C13)N1C(=O)C3=CC=CC=C3N=C21 |
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InChI Identifier | InChI=1S/C21H16N4O4/c26-10-21-18-22-13-7-3-1-5-11(13)17(28)25(18)15(16(27)24-21)9-20(21)12-6-2-4-8-14(12)23-19(20)29/h1-8,15,26H,9-10H2,(H,23,29)(H,24,27)/t15-,20-,21+/m1/s1 |
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InChI Key | XDRBDKVSHABELK-LPTQZCDUSA-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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