Record Information |
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Version | 1.0 |
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Created at | 2022-05-31 17:57:01 UTC |
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Updated at | 2022-05-31 17:57:01 UTC |
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NP-MRD ID | NP0138378 |
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Secondary Accession Numbers | None |
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Natural Product Identification |
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Common Name | 2(1H)-Quinoxalinone |
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Description | 2-Hydroxyquinoxaline, also known as 2-quinoxinol or quinoxalin-2-one, belongs to the class of organic compounds known as quinoxalines. Quinoxalines are compounds containing a quinoxaline moiety, a bicyclic heterocycle made up of a benzene ring fused to a pyrazine ring. 2-Hydroxyquinoxaline is a secondary metabolite. Secondary metabolites are metabolically or physiologically non-essential metabolites that may serve a role as defense or signalling molecules. In some cases they are simply molecules that arise from the incomplete metabolism of other secondary metabolites. It was first documented in 2014 (PMID: 25155583). Based on a literature review a significant number of articles have been published on 2-Hydroxyquinoxaline (PMID: 29023062) (PMID: 28330121) (PMID: 25921798) (PMID: 24953941). |
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Structure | InChI=1S/C8H6N2O/c11-8-5-9-6-3-1-2-4-7(6)10-8/h1-5H,(H,10,11) |
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Synonyms | Value | Source |
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2-Quinoxinol | ChEBI | Quinoxalin-2-one | ChEBI |
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Chemical Formula | C8H6N2O |
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Average Mass | 146.1490 Da |
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Monoisotopic Mass | 146.04801 Da |
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IUPAC Name | Not Available |
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Traditional Name | Not Available |
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CAS Registry Number | 1196-57-2 |
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SMILES | O=C1NC2=CC=CC=C2N=C1 |
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InChI Identifier | InChI=1S/C8H6N2O/c11-8-5-9-6-3-1-2-4-7(6)10-8/h1-5H,(H,10,11) |
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InChI Key | FFRYUAVNPBUEIC-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 | Not Available |
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Chemical Taxonomy |
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Description | Belongs to the class of organic compounds known as quinoxalines. Quinoxalines are compounds containing a quinoxaline moiety, a bicyclic heterocycle made up of a benzene ring fused to 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 | Quinoxalines |
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Alternative Parents | |
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Substituents | - Quinoxaline
- Benzenoid
- Pyrazine
- Heteroaromatic compound
- Lactam
- Azacycle
- Organic nitrogen compound
- Organic oxygen compound
- Organopnictogen compound
- Organic oxide
- Hydrocarbon derivative
- Organooxygen compound
- Organonitrogen compound
- Aromatic heteropolycyclic compound
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Molecular Framework | Aromatic heteropolycyclic compounds |
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External Descriptors | |
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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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General References | - Subba Reddy Gangireddygari V, Kanderi D, Golla R, Bangeppagari M, Anand Kumar Babu Gundi V, Ntushelo K, Reddy Bontha R: Biodegradation of Quinalphos by a Soil Bacterium-Bacillus subtilis. Pak J Biol Sci. 2017;20(8):410-422. doi: 10.3923/pjbs.2017.410.422. [PubMed:29023062 ]
- Subba Reddy GV, Rafi MM, Rubesh Kumar S, Khayalethu N, Muralidhara Rao D, Manjunatha B, Philip GH, Reddy BR: Optimization study of 2-hydroxyquinoxaline (2-HQ) biodegradation by Ochrobactrum sp. HQ1. 3 Biotech. 2016 Jun;6(1):51. doi: 10.1007/s13205-015-0358-6. Epub 2016 Feb 8. [PubMed:28330121 ]
- Yang L, Han J, Liu W, Li J, Jiang L: Conversion of inhibition biosensing to substrate-like biosensing for quinalphos selective detection. Anal Chem. 2015 May 19;87(10):5270-7. doi: 10.1021/acs.analchem.5b00376. Epub 2015 May 7. [PubMed:25921798 ]
- Talwar MP, Mulla SI, Ninnekar HZ: Biodegradation of organophosphate pesticide quinalphos by Ochrobactrum sp. strain HZM. J Appl Microbiol. 2014 Nov;117(5):1283-92. doi: 10.1111/jam.12627. Epub 2014 Oct 3. [PubMed:25155583 ]
- Reddy GV, Reddy BR, Tlou MG: Biodegradation of 2-hydroxyquinoxaline (2-HQ) by Bacillus sp. J Hazard Mater. 2014 Aug 15;278:100-7. doi: 10.1016/j.jhazmat.2014.05.080. Epub 2014 Jun 5. [PubMed:24953941 ]
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