Record Information |
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Version | 1.0 |
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Created at | 2020-12-09 03:11:23 UTC |
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Updated at | 2021-07-15 16:53:55 UTC |
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NP-MRD ID | NP0006129 |
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Secondary Accession Numbers | None |
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Natural Product Identification |
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Common Name | (5R) 5-hydroxy-3-[[2-(4-hydroxyphenyl)ethyl]amino]-5-vinyl-2-cyclopenten-1-one |
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Provided By | NPAtlas |
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Description | (5R) 5-hydroxy-3-[[2-(4-hydroxyphenyl)ethyl]amino]-5-vinyl-2-cyclopenten-1-one is found in Streptomyces sp. It was first documented in 2005 (PMID: 16320764). Based on a literature review very few articles have been published on 3-(4-Hydroxyphenethylamino)-5alpha-hydroxy-5-vinyl-2-cyclopentene-1-one. |
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Structure | [H]OC1=C([H])C([H])=C(C([H])=C1[H])C([H])([H])C([H])([H])N([H])C1=C([H])C(=O)[C@](O[H])(C([H])=C([H])[H])C1([H])[H] InChI=1S/C15H17NO3/c1-2-15(19)10-12(9-14(15)18)16-8-7-11-3-5-13(17)6-4-11/h2-6,9,16-17,19H,1,7-8,10H2/t15-/m0/s1 |
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Synonyms | Value | Source |
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3-(4-Hydroxyphenethylamino)-5a-hydroxy-5-vinyl-2-cyclopentene-1-one | Generator | 3-(4-Hydroxyphenethylamino)-5α-hydroxy-5-vinyl-2-cyclopentene-1-one | Generator |
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Chemical Formula | C15H17NO3 |
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Average Mass | 259.3050 Da |
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Monoisotopic Mass | 259.12084 Da |
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IUPAC Name | (5R)-5-ethenyl-5-hydroxy-3-{[2-(4-hydroxyphenyl)ethyl]amino}cyclopent-2-en-1-one |
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Traditional Name | (5R)-5-ethenyl-5-hydroxy-3-{[2-(4-hydroxyphenyl)ethyl]amino}cyclopent-2-en-1-one |
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CAS Registry Number | Not Available |
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SMILES | OC1=CC=C(CCNC2=CC(=O)[C@@](O)(C2)C=C)C=C1 |
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InChI Identifier | InChI=1S/C15H17NO3/c1-2-15(19)10-12(9-14(15)18)16-8-7-11-3-5-13(17)6-4-11/h2-6,9,16-17,19H,1,7-8,10H2/t15-/m0/s1 |
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InChI Key | QNQUWKMQUOYBLF-HNNXBMFYSA-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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