| Record Information |
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| Version | 2.0 |
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| Created at | 2022-04-28 20:37:43 UTC |
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| Updated at | 2022-04-28 20:37:43 UTC |
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| NP-MRD ID | NP0075339 |
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| Secondary Accession Numbers | None |
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| Natural Product Identification |
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| Common Name | Evolitrin |
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| Description | 4,7-Dimethoxyfuro[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. Evolitrin is found in Acronychia laurifolia , Acronychia oligophylebia, Acronychia pedunculata , Acronychia pubescens, Almeidea guyanensis, Almeidea rubra, Balfourodendron riedelianum, Boronella koniambiensis, Boronella pancheri, Boronia bowmanii, Boronia inornata, Boronia pancheri, Boronia pinnata, Comptonella sessilifoliola, Cusparia macrocarpa, Drummondita calida, Dutaillyea drupacea, Dutaillyea oreophila, Esenbeckia flava, Esenbeckia llitoralis, Euodia belahe, Euodia fatraina, Euodia lepta , Euodia litoralis, Euodia lunu-ankenda, Euodia macrocarpa, Euodia pachyphylla, Euodia pilulifera, Euodia roxburghiana, Evodia fatraina, Melicope pteleifolia , Evodia littoralis, Galipea longiflora , Glycosmis cyanocarpa, Haplophyllum acutifolium, Medicosma subsessilis, Melicope confusa, Melicope indica, Melicope lasioneura, Melicope semecarpifolia, Melicope triphylla, Nematolepis phebalioides, Orixa japonica , Phebalium nudum, Philotheca deserti var. deserti, Platydesma campanulata, Raputia praetermissa, Ruta montana, Ruta montana L. , Sarcomelicope argyrophylla, Sarcomelicope dogniensis, Sarcomelicope glauca, Ticorea longiflora, Zanthoxylum ailanthoides and Zieridium ignambiensis. 4,7-Dimethoxyfuro[2,3-b]quinoline is a strong basic compound (based on its pKa). |
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| Structure | COC1=CC=C2C(OC)=C3C=COC3=NC2=C1 InChI=1S/C13H11NO3/c1-15-8-3-4-9-11(7-8)14-13-10(5-6-17-13)12(9)16-2/h3-7H,1-2H3 |
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| Synonyms | | Value | Source |
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| 47-dimethoxyfuro[23-b]Quinoline | ChEMBL |
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| Chemical Formula | C13H11NO3 |
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| Average Mass | 229.2350 Da |
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| Monoisotopic Mass | 229.07389 Da |
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| IUPAC Name | 4,7-dimethoxyfuro[2,3-b]quinoline |
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| Traditional Name | 4,7-dimethoxyfuro[2,3-b]quinoline |
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| CAS Registry Number | Not Available |
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| SMILES | COC1=CC=C2C(OC)=C3C=COC3=NC2=C1 |
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| InChI Identifier | InChI=1S/C13H11NO3/c1-15-8-3-4-9-11(7-8)14-13-10(5-6-17-13)12(9)16-2/h3-7H,1-2H3 |
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| InChI Key | TWGHMXOYRUTQOL-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, 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 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
- Alkyl aryl ether
- Pyridine
- Benzenoid
- Furan
- Heteroaromatic compound
- Oxacycle
- Azacycle
- Ether
- Organic oxygen compound
- Organic nitrogen compound
- Organooxygen compound
- Organonitrogen compound
- Organopnictogen compound
- 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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