| Record Information |
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| Version | 2.0 |
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| Created at | 2022-09-11 18:44:24 UTC |
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| Updated at | 2022-09-11 18:44:24 UTC |
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| NP-MRD ID | NP0318319 |
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| Secondary Accession Numbers | None |
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| Natural Product Identification |
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| Common Name | (3e)-4-{4,6-dimethoxyfuro[2,3-b]quinolin-5-yl}-2-methylbut-3-en-2-ol |
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| Description | 4,6-Dimethoxy-5-[(E)-3-hydroxy-3-methyl-1-butenyl]furo[2,3-b]quinoline belongs to the class of organic compounds known as furanoquinolines. Furanoquinolines are compounds containing a furan ring fused to a quinoline. (3e)-4-{4,6-dimethoxyfuro[2,3-b]quinolin-5-yl}-2-methylbut-3-en-2-ol is found in Choisya ternata. Based on a literature review very few articles have been published on 4,6-Dimethoxy-5-[(E)-3-hydroxy-3-methyl-1-butenyl]furo[2,3-b]quinoline. |
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| Structure | COC1=CC=C2N=C3OC=CC3=C(OC)C2=C1\C=C\C(C)(C)O InChI=1S/C18H19NO4/c1-18(2,20)9-7-11-14(21-3)6-5-13-15(11)16(22-4)12-8-10-23-17(12)19-13/h5-10,20H,1-4H3/b9-7+ |
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| Synonyms | Not Available |
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| Chemical Formula | C18H19NO4 |
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| Average Mass | 313.3530 Da |
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| Monoisotopic Mass | 313.13141 Da |
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| IUPAC Name | (3E)-4-{4,6-dimethoxyfuro[2,3-b]quinolin-5-yl}-2-methylbut-3-en-2-ol |
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| Traditional Name | (3E)-4-{4,6-dimethoxyfuro[2,3-b]quinolin-5-yl}-2-methylbut-3-en-2-ol |
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| CAS Registry Number | Not Available |
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| SMILES | COC1=CC=C2N=C3OC=CC3=C(OC)C2=C1\C=C\C(C)(C)O |
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| InChI Identifier | InChI=1S/C18H19NO4/c1-18(2,20)9-7-11-14(21-3)6-5-13-15(11)16(22-4)12-8-10-23-17(12)19-13/h5-10,20H,1-4H3/b9-7+ |
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| InChI Key | UHTPNAFWZNUAMX-VQHVLOKHSA-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
- Cinnamyl alcohol
- Furopyridine
- Anisole
- Styrene
- Phenol ether
- Alkyl aryl ether
- Benzenoid
- Pyridine
- Heteroaromatic compound
- Furan
- Tertiary alcohol
- Ether
- Oxacycle
- Azacycle
- Organic nitrogen compound
- Alcohol
- Hydrocarbon derivative
- Organic oxygen compound
- Organonitrogen compound
- Organooxygen 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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