Record Information |
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Version | 2.0 |
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Created at | 2023-10-06 12:00:38 UTC |
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Updated at | 2024-09-03 04:17:26 UTC |
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NP-MRD ID | NP0331926 |
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Natural Product DOI | https://doi.org/10.57994/1034 |
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Secondary Accession Numbers | None |
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Natural Product Identification |
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Common Name | Not named |
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Description | Not named belongs to the class of organic compounds known as hydroquinolones. Hydroquinolones are compounds containing a hydrogenated quinoline bearing a ketone group. Based on a literature review very few articles have been published on Not named. |
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Structure | OC(=O)CCCCCCCCC1=CC(=O)C2=CC=CC=C2N1 InChI=1S/C18H23NO3/c20-17-13-14(19-16-11-8-7-10-15(16)17)9-5-3-1-2-4-6-12-18(21)22/h7-8,10-11,13H,1-6,9,12H2,(H,19,20)(H,21,22) |
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Synonyms | Not Available |
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Chemical Formula | C18H23NO3 |
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Average Mass | 301.3860 Da |
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Monoisotopic Mass | 301.16779 Da |
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IUPAC Name | 9-(4-oxo-1,4-dihydroquinolin-2-yl)nonanoic acid |
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Traditional Name | 9-(4-oxo-1H-quinolin-2-yl)nonanoic acid |
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CAS Registry Number | Not Available |
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SMILES | OC(=O)CCCCCCCCC1=CC(=O)C2=CC=CC=C2N1 |
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InChI Identifier | InChI=1S/C18H23NO3/c20-17-13-14(19-16-11-8-7-10-15(16)17)9-5-3-1-2-4-6-12-18(21)22/h7-8,10-11,13H,1-6,9,12H2,(H,19,20)(H,21,22) |
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InChI Key | NSMNKHOMMSLYFV-UHFFFAOYSA-N |
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Experimental Spectra |
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| Spectrum Type | Description | Depositor Email | Depositor Organization | Depositor | Deposition Date | View |
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1D NMR | 1H NMR Spectrum (1D, 600 MHz, CDCL3, experimental) | ctliu@stanford.edu | Stanford | Jack Liu | 2024-01-05 | View Spectrum | COSY NMR | [1H, 1H] NMR Spectrum (2D, 600 MHz, CDCL3, experimental) | ctliu@stanford.edu | Stanford | Jack Liu | 2024-01-05 | View Spectrum | ROESY NMR | [1H, 1H] NMR Spectrum (2D, 600 MHz, CDCL3, experimental) | ctliu@stanford.edu | Stanford | Jack Liu | 2024-01-05 | View Spectrum | 1D NMR | 13C NMR Spectrum (1D, 151 MHz, CDCL3, experimental) | ctliu@stanford.edu | Stanford | Jack Liu | 2024-01-05 | View Spectrum | HSQC NMR | [1H, 13C] NMR Spectrum (2D, 600 MHz, CDCL3, experimental) | ctliu@stanford.edu | Stanford | Jack Liu | 2024-01-05 | View Spectrum | TOCSY NMR | [1H, 1H] NMR Spectrum (2D, 600 MHz, CDCL3, experimental) | ctliu@stanford.edu | Stanford | Jack Liu | 2024-01-05 | View Spectrum | HMBC NMR | [1H, 13C] NMR Spectrum (2D, 600 MHz, CDCL3, experimental) | ctliu@stanford.edu | Stanford | Jack Liu | 2024-01-05 | View Spectrum | H2BC NMR | [1H, 13C] NMR Spectrum (2D, 600 MHz, CDCL3, experimental) | ctliu@stanford.edu | Stanford | Jack Liu | 2024-01-05 | View Spectrum | HMBC NMR | [1H, 13C] NMR Spectrum (2D, 600 MHz, CDCL3, experimental) | ctliu@stanford.edu | Stanford | Jack Liu | 2024-01-05 | View Spectrum | H2BC NMR | [1H, 13C] NMR Spectrum (2D, 600 MHz, CDCL3, experimental) | ctliu@stanford.edu | Stanford | Jack Liu | 2024-01-05 | View Spectrum | 1D NMR | 13C NMR Spectrum (1D, 151 MHz, CDCL3, experimental) | ctliu@stanford.edu | Stanford | Jack Liu | 2024-01-05 | View Spectrum | HSQC NMR | [1H, 13C] NMR Spectrum (2D, 600 MHz, CDCL3, experimental) | ctliu@stanford.edu | Stanford | Jack Liu | 2024-01-05 | View Spectrum | COSY NMR | [1H, 1H] NMR Spectrum (2D, 600 MHz, CDCL3, experimental) | ctliu@stanford.edu | Stanford | Jack Liu | 2024-01-05 | View Spectrum | HMBC NMR | [1H, 13C] NMR Spectrum (2D, 600 MHz, CDCL3, experimental) | ctliu@stanford.edu | Stanford | Jack Liu | 2024-01-05 | View Spectrum | 1D NMR | 1H NMR Spectrum (1D, 600 MHz, CDCL3, experimental) | ctliu@stanford.edu | Stanford | Jack Liu | 2024-01-05 | View Spectrum | ROESY NMR | [1H, 1H] NMR Spectrum (2D, 600 MHz, CDCL3, experimental) | ctliu@stanford.edu | Stanford | Jack Liu | 2024-01-05 | View Spectrum | TOCSY NMR | [1H, 1H] NMR Spectrum (2D, 600 MHz, CDCL3, experimental) | ctliu@stanford.edu | Stanford | Jack Liu | 2024-01-05 | View Spectrum | COSY NMR | [1H, 1H] NMR Spectrum (2D, 600 MHz, CDCL3, experimental) | ctliu@stanford.edu | Stanford | Jack Liu | 2024-01-05 | View Spectrum | HSQC NMR | [1H, 13C] NMR Spectrum (2D, 600 MHz, CDCL3, experimental) | ctliu@stanford.edu | Stanford | Jack Liu | 2024-01-05 | View Spectrum | COSY NMR | [1H, 1H] NMR Spectrum (2D, 600 MHz, CDCL3, experimental) | ctliu@stanford.edu | Stanford | Jack Liu | 2024-01-05 | View Spectrum | ROESY NMR | [1H, 1H] NMR Spectrum (2D, 600 MHz, CDCL3, experimental) | ctliu@stanford.edu | Stanford | Jack Liu | 2024-01-05 | View Spectrum | HSQC NMR | [1H, 13C] NMR Spectrum (2D, 600 MHz, CDCL3, experimental) | ctliu@stanford.edu | Stanford | Jack Liu | 2024-01-05 | View Spectrum | 1D NMR | 13C NMR Spectrum (1D, 126 MHz, CDCL3, experimental) | ctliu@stanford.edu | Stanford | Jack Liu | 2024-01-05 | View Spectrum | HMBC NMR | [1H, 13C] NMR Spectrum (2D, 600 MHz, CDCL3, experimental) | ctliu@stanford.edu | Stanford | Jack Liu | 2024-01-05 | View Spectrum | 1D NMR | 1H NMR Spectrum (1D, 600 MHz, CDCL3, experimental) | ctliu@stanford.edu | Stanford | Jack Liu | 2024-01-05 | View Spectrum | H2BC NMR | [1H, 13C] NMR Spectrum (2D, 600 MHz, CDCL3, experimental) | ctliu@stanford.edu | Stanford | Jack Liu | 2024-01-05 | View Spectrum | 1D NMR | 1H NMR Spectrum (1D, 600 MHz, CDCL3, experimental) | ctliu@stanford.edu | Stanford | Jack Liu | 2024-01-05 | View Spectrum | TOCSY NMR | [1H, 1H] NMR Spectrum (2D, 600 MHz, CDCL3, experimental) | ctliu@stanford.edu | Stanford | Jack Liu | 2024-01-05 | View Spectrum | 1D NMR | 1H NMR Spectrum (1D, 600 MHz, CDCL3, experimental) | ctliu@stanford.edu | Stanford | Jack Liu | 2024-01-05 | View Spectrum | COSY NMR | [1H, 1H] NMR Spectrum (2D, 600 MHz, CDCL3, experimental) | ctliu@stanford.edu | Stanford | Jack Liu | 2024-01-05 | View Spectrum | ROESY NMR | [1H, 1H] NMR Spectrum (2D, 600 MHz, CDCL3, experimental) | ctliu@stanford.edu | Stanford | Jack Liu | 2024-01-05 | View Spectrum | HMBC NMR | [1H, 13C] NMR Spectrum (2D, 600 MHz, CDCL3, experimental) | ctliu@stanford.edu | Stanford | Jack Liu | 2024-01-05 | View Spectrum | HSQC NMR | [1H, 13C] NMR Spectrum (2D, 600 MHz, CDCL3, experimental) | ctliu@stanford.edu | Stanford | Jack Liu | 2024-01-05 | View Spectrum | 1D NMR | 13C NMR Spectrum (1D, 151 MHz, CDCL3, experimental) | ctliu@stanford.edu | Stanford | Jack Liu | 2024-01-05 | View Spectrum |
| Predicted Spectra |
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| Not Available | Chemical Shift Submissions |
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| Not Available | Species |
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Species of Origin | Not Available |
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Chemical Taxonomy |
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Description | This compound belongs to the class of organic compounds known as hydroquinolones. These are compounds containing a hydrogenated quinoline bearing a ketone group. |
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Kingdom | Organic compounds |
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Super Class | Organoheterocyclic compounds |
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Class | Quinolines and derivatives |
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Sub Class | Quinolones and derivatives |
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Direct Parent | Hydroquinolones |
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Alternative Parents | |
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Substituents | - Dihydroquinolone
- Dihydroquinoline
- 2-halopyridine
- Hydroxypyridine
- Tetrahydropyridine
- Heterocyclic fatty acid
- Branched fatty acid
- Fatty acyl
- Alpha-branched alpha,beta-unsaturated-ketone
- Benzenoid
- Pyridine
- Heteroaromatic compound
- Vinylogous amide
- Alpha,beta-unsaturated ketone
- Enone
- Acryloyl-group
- Amino acid
- Ketone
- Amino acid or derivatives
- Azacycle
- Secondary amine
- Monocarboxylic acid or derivatives
- Secondary aliphatic amine
- Carboxylic acid
- Carboxylic acid derivative
- Organic nitrogen compound
- Organic oxygen compound
- Organopnictogen compound
- Organic oxide
- Hydrocarbon derivative
- Organooxygen compound
- Organonitrogen compound
- Amine
- Aromatic heteropolycyclic compound
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Molecular Framework | Aromatic heteropolycyclic 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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