Record Information |
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Version | 1.0 |
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Created at | 2022-09-09 22:12:13 UTC |
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Updated at | 2022-09-09 22:12:13 UTC |
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NP-MRD ID | NP0291200 |
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Secondary Accession Numbers | None |
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Natural Product Identification |
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Common Name | 4,8-dimethoxy-8-(3-methylbutan-2-yl)furo[2,3-b]quinolin-7-one |
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Description | 4,8-Dimethoxy-8-(3-methylbutan-2-yl)-7H,8H-furo[2,3-b]quinolin-7-one belongs to the class of organic compounds known as furopyridines. These are aromatic heterocyclic compounds containing a furopyridine ring system, which consists of a furan ring fused to a pyridine ring. 4,8-dimethoxy-8-(3-methylbutan-2-yl)furo[2,3-b]quinolin-7-one is found in Haplophyllum acutifolium. It was first documented in 2022 (PMID: 36115695). Based on a literature review a significant number of articles have been published on 4,8-dimethoxy-8-(3-methylbutan-2-yl)-7H,8H-furo[2,3-b]quinolin-7-one (PMID: 36115691) (PMID: 36115694) (PMID: 36115693) (PMID: 36115692). |
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Structure | COC1=C2C=COC2=NC2=C1C=CC(=O)C2(OC)C(C)C(C)C InChI=1S/C18H21NO4/c1-10(2)11(3)18(22-5)14(20)7-6-12-15(21-4)13-8-9-23-17(13)19-16(12)18/h6-11H,1-5H3 |
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Synonyms | Not Available |
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Chemical Formula | C18H21NO4 |
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Average Mass | 315.3690 Da |
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Monoisotopic Mass | 315.14706 Da |
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IUPAC Name | 4,8-dimethoxy-8-(3-methylbutan-2-yl)-7H,8H-furo[2,3-b]quinolin-7-one |
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Traditional Name | 4,8-dimethoxy-8-(3-methylbutan-2-yl)furo[2,3-b]quinolin-7-one |
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CAS Registry Number | Not Available |
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SMILES | COC1=C2C=COC2=NC2=C1C=CC(=O)C2(OC)C(C)C(C)C |
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InChI Identifier | InChI=1S/C18H21NO4/c1-10(2)11(3)18(22-5)14(20)7-6-12-15(21-4)13-8-9-23-17(13)19-16(12)18/h6-11H,1-5H3 |
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InChI Key | GBVWIVASAJEPMZ-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 furopyridines. These are aromatic heterocyclic compounds containing a furopyridine ring system, which consists of a furan ring fused to a pyridine ring. |
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Kingdom | Organic compounds |
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Super Class | Organoheterocyclic compounds |
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Class | Furopyridines |
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Sub Class | Not Available |
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Direct Parent | Furopyridines |
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Alternative Parents | |
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Substituents | - Furopyridine
- Alkyl aryl ether
- Pyridine
- Furan
- Heteroaromatic compound
- Ketone
- Cyclic ketone
- Oxacycle
- Azacycle
- Ether
- Dialkyl ether
- Organopnictogen compound
- Organooxygen compound
- Organonitrogen compound
- Organic nitrogen compound
- Organic oxygen compound
- Carbonyl group
- Organic oxide
- Hydrocarbon derivative
- 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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