| Record Information |
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| Version | 2.0 |
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| Created at | 2022-09-05 16:56:33 UTC |
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| Updated at | 2022-09-05 16:56:33 UTC |
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| NP-MRD ID | NP0216821 |
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| Secondary Accession Numbers | None |
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| Natural Product Identification |
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| Common Name | 6-hydroxy-4-(2-hydroxy-5,7-dimethyl-4-oxonona-6,8-dien-1-yl)-4,5-dihydro-3h-pyridin-2-one |
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| Description | 6-Hydroxy-4-(2-hydroxy-5,7-dimethyl-4-oxonona-6,8-dien-1-yl)-2,3,4,5-tetrahydropyridin-2-one belongs to the class of organic compounds known as piperidinediones. Piperidinediones are compounds containing a piperidine ring which bears two ketones. 6-hydroxy-4-(2-hydroxy-5,7-dimethyl-4-oxonona-6,8-dien-1-yl)-4,5-dihydro-3h-pyridin-2-one is found in Micromonospora coerulea. 6-Hydroxy-4-(2-hydroxy-5,7-dimethyl-4-oxonona-6,8-dien-1-yl)-2,3,4,5-tetrahydropyridin-2-one is an extremely weak basic (essentially neutral) compound (based on its pKa). |
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| Structure | CC(C=C(C)C=C)C(=O)CC(O)CC1CC(=O)NC(=O)C1 InChI=1S/C16H23NO4/c1-4-10(2)5-11(3)14(19)9-13(18)6-12-7-15(20)17-16(21)8-12/h4-5,11-13,18H,1,6-9H2,2-3H3,(H,17,20,21) |
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| Synonyms | | Value | Source |
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| Streptimidone | MeSH |
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| Chemical Formula | C16H23NO4 |
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| Average Mass | 293.3630 Da |
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| Monoisotopic Mass | 293.16271 Da |
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| IUPAC Name | 4-(2-hydroxy-5,7-dimethyl-4-oxonona-6,8-dien-1-yl)piperidine-2,6-dione |
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| Traditional Name | 4-(2-hydroxy-5,7-dimethyl-4-oxonona-6,8-dien-1-yl)piperidine-2,6-dione |
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| CAS Registry Number | Not Available |
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| SMILES | CC(C=C(C)C=C)C(=O)CC(O)CC1CC(=O)NC(=O)C1 |
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| InChI Identifier | InChI=1S/C16H23NO4/c1-4-10(2)5-11(3)14(19)9-13(18)6-12-7-15(20)17-16(21)8-12/h4-5,11-13,18H,1,6-9H2,2-3H3,(H,17,20,21) |
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| InChI Key | ZRYKVDWGQVQRPG-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, H2O, predicted) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | | 1D NMR | 1H NMR Spectrum (1D, 100 MHz, H2O, predicted) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | | 1D NMR | 13C NMR Spectrum (1D, 252 MHz, H2O, predicted) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | | 1D NMR | 1H NMR Spectrum (1D, 1000 MHz, H2O, predicted) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | | 1D NMR | 13C NMR Spectrum (1D, 50 MHz, H2O, predicted) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | | 1D NMR | 1H NMR Spectrum (1D, 200 MHz, H2O, predicted) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | | 1D NMR | 13C NMR Spectrum (1D, 75 MHz, H2O, predicted) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | | 1D NMR | 1H NMR Spectrum (1D, 300 MHz, H2O, predicted) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | | 1D NMR | 13C NMR Spectrum (1D, 101 MHz, H2O, predicted) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | | 1D NMR | 1H NMR Spectrum (1D, 400 MHz, H2O, predicted) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | | 1D NMR | 13C NMR Spectrum (1D, 126 MHz, H2O, predicted) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | | 1D NMR | 1H NMR Spectrum (1D, 500 MHz, H2O, predicted) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | | 1D NMR | 13C NMR Spectrum (1D, 151 MHz, H2O, predicted) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | | 1D NMR | 1H NMR Spectrum (1D, 600 MHz, H2O, predicted) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | | 1D NMR | 13C NMR Spectrum (1D, 176 MHz, H2O, predicted) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | | 1D NMR | 1H NMR Spectrum (1D, 700 MHz, H2O, predicted) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | | 1D NMR | 13C NMR Spectrum (1D, 201 MHz, H2O, predicted) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | | 1D NMR | 1H NMR Spectrum (1D, 800 MHz, H2O, predicted) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | | 1D NMR | 13C NMR Spectrum (1D, 226 MHz, H2O, predicted) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | | 1D NMR | 1H NMR Spectrum (1D, 900 MHz, H2O, 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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| Description | Belongs to the class of organic compounds known as piperidinediones. Piperidinediones are compounds containing a piperidine ring which bears two ketones. |
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| Kingdom | Organic compounds |
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| Super Class | Organoheterocyclic compounds |
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| Class | Piperidines |
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| Sub Class | Piperidinones |
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| Direct Parent | Piperidinediones |
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| Alternative Parents | |
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| Substituents | - Piperidinedione
- Delta-lactam
- Beta-hydroxy ketone
- Carboxylic acid imide
- Dicarboximide
- Carboxylic acid imide, n-unsubstituted
- Secondary alcohol
- Lactam
- Ketone
- Carboxylic acid derivative
- Azacycle
- Organopnictogen compound
- Organooxygen compound
- Organonitrogen compound
- Organic nitrogen compound
- Organic oxygen compound
- Alcohol
- Carbonyl group
- Hydrocarbon derivative
- Organic oxide
- Aliphatic heteromonocyclic compound
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| Molecular Framework | Aliphatic heteromonocyclic compounds |
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| External Descriptors | Not Available |
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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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