| Record Information |
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| Version | 2.0 |
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| Created at | 2022-04-28 13:36:13 UTC |
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| Updated at | 2022-04-28 13:36:13 UTC |
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| NP-MRD ID | NP0068424 |
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| Secondary Accession Numbers | None |
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| Natural Product Identification |
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| Common Name | (+)-Ribaliprenylene |
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| Description | Ribaliprenylene belongs to the class of organic compounds known as pyranoquinolines. These are polycyclic compounds containing a pyran ring fused to a quinoline moiety. Quinoline or benzo[b]pyridine is a bicyclic compound that consists of benzene fused to a pyridine. (+)-Ribaliprenylene is found in Skimmia laureola. Based on a literature review very few articles have been published on Ribaliprenylene. |
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| Structure | CN1C2=C(C[C@@H](O)C(C)(C)O2)C(=O)C2=CC=CC(OCC=C(C)C)=C12 InChI=1S/C20H25NO4/c1-12(2)9-10-24-15-8-6-7-13-17(15)21(5)19-14(18(13)23)11-16(22)20(3,4)25-19/h6-9,16,22H,10-11H2,1-5H3/t16-/m1/s1 |
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| Synonyms | Not Available |
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| Chemical Formula | C20H25NO4 |
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| Average Mass | 343.4230 Da |
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| Monoisotopic Mass | 343.17836 Da |
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| IUPAC Name | (3R)-3-hydroxy-2,2,10-trimethyl-9-[(3-methylbut-2-en-1-yl)oxy]-2H,3H,4H,5H,10H-pyrano[2,3-b]quinolin-5-one |
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| Traditional Name | (3R)-3-hydroxy-2,2,10-trimethyl-9-[(3-methylbut-2-en-1-yl)oxy]-3H,4H-pyrano[2,3-b]quinolin-5-one |
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| CAS Registry Number | Not Available |
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| SMILES | CN1C2=C(C[C@@H](O)C(C)(C)O2)C(=O)C2=CC=CC(OCC=C(C)C)=C12 |
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| InChI Identifier | InChI=1S/C20H25NO4/c1-12(2)9-10-24-15-8-6-7-13-17(15)21(5)19-14(18(13)23)11-16(22)20(3,4)25-19/h6-9,16,22H,10-11H2,1-5H3/t16-/m1/s1 |
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| InChI Key | ZXGRMAVFKLSCCZ-MRXNPFEDSA-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, D2O, predicted) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | | 1D NMR | 1H NMR Spectrum (1D, 100 MHz, D2O, predicted) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | | 1D NMR | 13C NMR Spectrum (1D, 252 MHz, D2O, predicted) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | | 1D NMR | 1H NMR Spectrum (1D, 1000 MHz, D2O, predicted) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | | 1D NMR | 13C NMR Spectrum (1D, 50 MHz, D2O, predicted) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | | 1D NMR | 1H NMR Spectrum (1D, 200 MHz, D2O, predicted) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | | 1D NMR | 13C NMR Spectrum (1D, 75 MHz, D2O, predicted) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | | 1D NMR | 1H NMR Spectrum (1D, 300 MHz, D2O, predicted) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | | 1D NMR | 13C NMR Spectrum (1D, 101 MHz, D2O, predicted) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | | 1D NMR | 1H NMR Spectrum (1D, 400 MHz, D2O, predicted) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | | 1D NMR | 13C NMR Spectrum (1D, 126 MHz, D2O, predicted) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | | 1D NMR | 1H NMR Spectrum (1D, 500 MHz, D2O, predicted) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | | 1D NMR | 13C NMR Spectrum (1D, 151 MHz, D2O, predicted) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | | 1D NMR | 1H NMR Spectrum (1D, 600 MHz, D2O, predicted) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | | 1D NMR | 13C NMR Spectrum (1D, 176 MHz, D2O, predicted) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | | 1D NMR | 1H NMR Spectrum (1D, 700 MHz, D2O, predicted) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | | 1D NMR | 13C NMR Spectrum (1D, 201 MHz, D2O, predicted) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | | 1D NMR | 1H NMR Spectrum (1D, 800 MHz, D2O, predicted) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | | 1D NMR | 13C NMR Spectrum (1D, 226 MHz, D2O, predicted) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | | 1D NMR | 1H NMR Spectrum (1D, 900 MHz, D2O, 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 pyranoquinolines. These are polycyclic compounds containing a pyran ring fused to a quinoline moiety. Quinoline or benzo[b]pyridine is a bicyclic compound that consists of benzene fused to a pyridine. |
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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 | Pyranoquinolines |
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| Alternative Parents | |
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| Substituents | - Pyranoquinoline
- Dihydroquinolone
- Dihydroquinoline
- Pyranopyridine
- Phenol ether
- Alkyl aryl ether
- Benzenoid
- Pyridine
- Pyran
- Heteroaromatic compound
- Vinylogous ester
- Vinylogous amide
- Secondary alcohol
- Ether
- Oxacycle
- Azacycle
- Organooxygen compound
- Organonitrogen compound
- Organic oxide
- Organic oxygen compound
- Alcohol
- Hydrocarbon derivative
- Organic nitrogen 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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