Record Information |
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Version | 1.0 |
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Created at | 2021-01-06 00:44:31 UTC |
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Updated at | 2021-07-15 17:20:15 UTC |
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NP-MRD ID | NP0015543 |
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Secondary Accession Numbers | None |
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Natural Product Identification |
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Common Name | Pyricuol |
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Provided By | NPAtlas |
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Description | Pyricuol is found in Magnaporthe and Pyricularia grisea. It was first documented in 1998 (PMID: 27393365). Based on a literature review very few articles have been published on 2-hydroxy-6-[(1E)-4-hydroxy-3-[(1E)-prop-1-en-1-yl]but-1-en-1-yl]benzaldehyde. |
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Structure | [H]OC1=C(C([H])=O)C(\C([H])=C(/[H])[C@]([H])(C(\[H])=C(/[H])C([H])([H])[H])C([H])([H])O[H])=C([H])C([H])=C1[H] InChI=1S/C14H16O3/c1-2-4-11(9-15)7-8-12-5-3-6-14(17)13(12)10-16/h2-8,10-11,15,17H,9H2,1H3/b4-2+,8-7+/t11-/m0/s1 |
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Synonyms | Not Available |
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Chemical Formula | C14H16O3 |
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Average Mass | 232.2790 Da |
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Monoisotopic Mass | 232.10994 Da |
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IUPAC Name | 2-hydroxy-6-[(1E,3S)-4-hydroxy-3-[(1E)-prop-1-en-1-yl]but-1-en-1-yl]benzaldehyde |
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Traditional Name | 2-hydroxy-6-[(1E,3S)-4-hydroxy-3-[(1E)-prop-1-en-1-yl]but-1-en-1-yl]benzaldehyde |
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CAS Registry Number | Not Available |
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SMILES | C\C=C\C(CO)\C=C\C1=C(C=O)C(O)=CC=C1 |
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InChI Identifier | InChI=1S/C14H16O3/c1-2-4-11(9-15)7-8-12-5-3-6-14(17)13(12)10-16/h2-8,10-11,15,17H,9H2,1H3/b4-2+,8-7+ |
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InChI Key | SJPNUSKWVFQENW-XOPXCKKHSA-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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