Record Information |
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Version | 2.0 |
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Created at | 2022-09-09 12:57:17 UTC |
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Updated at | 2022-09-09 12:57:17 UTC |
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NP-MRD ID | NP0284990 |
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Secondary Accession Numbers | None |
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Natural Product Identification |
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Common Name | 5-methyl-9-(3-methylbut-2-en-1-yl)-10h-phenazine-1-carboxylic acid |
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Description | 5-Methyl-9-(3-methylbut-2-en-1-yl)-5,10-dihydrophenazine-1-carboxylic acid belongs to the class of organic compounds known as phenazines and derivatives. These are polycyclic aromatic compounds containing a phenazine moiety, which is a linear tricyclic system that consists of a two benzene rings joined by a pyrazine ring. 5-methyl-9-(3-methylbut-2-en-1-yl)-10h-phenazine-1-carboxylic acid is found in Streptomyces anulatus. 5-Methyl-9-(3-methylbut-2-en-1-yl)-5,10-dihydrophenazine-1-carboxylic acid is an extremely weak basic (essentially neutral) compound (based on its pKa). |
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Structure | CN1C2=CC=CC(CC=C(C)C)=C2NC2=C1C=CC=C2C(O)=O InChI=1S/C19H20N2O2/c1-12(2)10-11-13-6-4-8-15-17(13)20-18-14(19(22)23)7-5-9-16(18)21(15)3/h4-10,20H,11H2,1-3H3,(H,22,23) |
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Synonyms | Value | Source |
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5-Methyl-9-(3-methylbut-2-en-1-yl)-5,10-dihydrophenazine-1-carboxylate | Generator |
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Chemical Formula | C19H20N2O2 |
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Average Mass | 308.3810 Da |
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Monoisotopic Mass | 308.15248 Da |
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IUPAC Name | 5-methyl-9-(3-methylbut-2-en-1-yl)-5,10-dihydrophenazine-1-carboxylic acid |
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Traditional Name | 5-methyl-9-(3-methylbut-2-en-1-yl)-10H-phenazine-1-carboxylic acid |
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CAS Registry Number | Not Available |
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SMILES | CN1C2=CC=CC(CC=C(C)C)=C2NC2=C1C=CC=C2C(O)=O |
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InChI Identifier | InChI=1S/C19H20N2O2/c1-12(2)10-11-13-6-4-8-15-17(13)20-18-14(19(22)23)7-5-9-16(18)21(15)3/h4-10,20H,11H2,1-3H3,(H,22,23) |
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InChI Key | IEZDSYLQJCAEHH-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 phenazines and derivatives. These are polycyclic aromatic compounds containing a phenazine moiety, which is a linear tricyclic system that consists of a two benzene rings joined by a pyrazine ring. |
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Kingdom | Organic compounds |
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Super Class | Organoheterocyclic compounds |
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Class | Diazanaphthalenes |
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Sub Class | Benzodiazines |
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Direct Parent | Phenazines and derivatives |
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Alternative Parents | |
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Substituents | - Phenazine
- Alkyldiarylamine
- Tertiary aliphatic/aromatic amine
- Primary aromatic amine
- Benzenoid
- Vinylogous amide
- Amino acid or derivatives
- Amino acid
- Tertiary amine
- Carboxylic acid derivative
- Carboxylic acid
- Secondary amine
- Azacycle
- Organic oxygen compound
- Organooxygen compound
- Organonitrogen compound
- Organic nitrogen compound
- Organic oxide
- Hydrocarbon derivative
- Amine
- 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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