Record Information |
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Version | 2.0 |
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Created at | 2022-09-04 22:59:25 UTC |
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Updated at | 2022-09-04 22:59:25 UTC |
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NP-MRD ID | NP0203508 |
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Secondary Accession Numbers | None |
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Natural Product Identification |
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Common Name | (2e)-4-({4,8-dimethoxyfuro[2,3-b]quinolin-7-yl}oxy)-2-methylbut-2-en-1-ol |
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Description | (2E)-4-({4,8-dimethoxyfuro[2,3-b]quinolin-7-yl}oxy)-2-methylbut-2-en-1-ol belongs to the class of organic compounds known as furanoquinolines. Furanoquinolines are compounds containing a furan ring fused to a quinoline. (2e)-4-({4,8-dimethoxyfuro[2,3-b]quinolin-7-yl}oxy)-2-methylbut-2-en-1-ol is found in Haplophyllum latifolium. Based on a literature review very few articles have been published on (2E)-4-({4,8-dimethoxyfuro[2,3-b]quinolin-7-yl}oxy)-2-methylbut-2-en-1-ol. |
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Structure | COC1=C2C=COC2=NC2=C(OC)C(OC\C=C(/C)CO)=CC=C12 InChI=1S/C18H19NO5/c1-11(10-20)6-8-23-14-5-4-12-15(17(14)22-3)19-18-13(7-9-24-18)16(12)21-2/h4-7,9,20H,8,10H2,1-3H3/b11-6+ |
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Synonyms | Not Available |
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Chemical Formula | C18H19NO5 |
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Average Mass | 329.3520 Da |
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Monoisotopic Mass | 329.12632 Da |
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IUPAC Name | (2E)-4-({4,8-dimethoxyfuro[2,3-b]quinolin-7-yl}oxy)-2-methylbut-2-en-1-ol |
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Traditional Name | (2E)-4-({4,8-dimethoxyfuro[2,3-b]quinolin-7-yl}oxy)-2-methylbut-2-en-1-ol |
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CAS Registry Number | Not Available |
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SMILES | COC1=C2C=COC2=NC2=C(OC)C(OC\C=C(/C)CO)=CC=C12 |
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InChI Identifier | InChI=1S/C18H19NO5/c1-11(10-20)6-8-23-14-5-4-12-15(17(14)22-3)19-18-13(7-9-24-18)16(12)21-2/h4-7,9,20H,8,10H2,1-3H3/b11-6+ |
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InChI Key | PCTXHEDYCDEQAQ-IZZDOVSWSA-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 furanoquinolines. Furanoquinolines are compounds containing a furan ring fused to a quinoline. |
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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 | Furanoquinolines |
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Direct Parent | Furanoquinolines |
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Alternative Parents | |
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Substituents | - Furanoquinoline
- Furopyridine
- Anisole
- Phenol ether
- Alkyl aryl ether
- Pyridine
- Benzenoid
- Furan
- Heteroaromatic compound
- Ether
- Oxacycle
- Azacycle
- Primary alcohol
- Organic nitrogen compound
- Organooxygen compound
- Organonitrogen compound
- Alcohol
- Hydrocarbon derivative
- Organic oxygen compound
- 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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