Record Information |
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Version | 1.0 |
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Created at | 2021-01-06 07:24:57 UTC |
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Updated at | 2021-07-15 17:38:22 UTC |
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NP-MRD ID | NP0022192 |
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Secondary Accession Numbers | None |
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Natural Product Identification |
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Common Name | SB 212021 |
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Provided By | NPAtlas |
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Description | SB 212021 is found in Streptomyces sp. It was first documented in 1995 (PMID: 7490211). Based on a literature review very few articles have been published on CHEMBL3234716. |
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Structure | [H]OC(=O)C1=C2N=C3C([H])=C([H])C(O[H])=C(C(=O)OC([H])([H])[H])C3=NC2=C([H])C([H])=C1[H] InChI=1S/C15H10N2O5/c1-22-15(21)11-10(18)6-5-9-13(11)17-8-4-2-3-7(14(19)20)12(8)16-9/h2-6,18H,1H3,(H,19,20) |
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Synonyms | Value | Source |
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2-Hydroxy-1,6-phenazinedicarboxylic acid 1-methyl ester | MeSH | 7-Hydroxy-6-(methoxycarbonyl)phenazine-1-carboxylate | Generator |
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Chemical Formula | C15H10N2O5 |
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Average Mass | 298.2540 Da |
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Monoisotopic Mass | 298.05897 Da |
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IUPAC Name | 7-hydroxy-6-(methoxycarbonyl)phenazine-1-carboxylic acid |
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Traditional Name | 7-hydroxy-6-(methoxycarbonyl)phenazine-1-carboxylic acid |
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CAS Registry Number | Not Available |
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SMILES | COC(=O)C1=C(O)C=CC2=NC3=C(C=CC=C3N=C12)C(O)=O |
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InChI Identifier | InChI=1S/C15H10N2O5/c1-22-15(21)11-10(18)6-5-9-13(11)17-8-4-2-3-7(14(19)20)12(8)16-9/h2-6,18H,1H3,(H,19,20) |
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InChI Key | QGRPCLYUAZBYBK-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 | This compound 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
- Salicylic acid or derivatives
- 1-hydroxy-2-unsubstituted benzenoid
- Phenol
- Benzenoid
- Pyrazine
- Heteroaromatic compound
- Vinylogous acid
- Methyl ester
- Carboxylic acid ester
- Carboxylic acid derivative
- Carboxylic acid
- Azacycle
- Organic nitrogen compound
- Hydrocarbon derivative
- Organooxygen compound
- Organonitrogen compound
- Organic oxide
- 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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