Record Information |
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Version | 1.0 |
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Creation date | 2010-04-08 22:05:02 UTC |
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Update date | 2019-11-26 02:56:36 UTC |
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Primary ID | FDB001596 |
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Secondary Accession Numbers | Not Available |
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Chemical Information |
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FooDB Name | Cerasin |
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Description | Cerasin, also known as sudan iii or d and c red #17, is a member of the class of compounds known as azobenzenes. Azobenzenes are organonitrogen aromatic compounds that contain a central azo group, where each nitrogen atom is conjugated to a benzene ring. Cerasin is practically insoluble (in water) and a very weakly acidic compound (based on its pKa). Cerasin can be found in sour cherry, which makes cerasin a potential biomarker for the consumption of this food product. Uses include: An alternative to beeswax in ointments (Historic) Laboratory-supply bottles for small amounts of hydrofluoric acid, which were made of ceresin wax; this was before polyethylene became commonplace . |
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CAS Number | 64166-11-6 |
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Structure | |
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Synonyms | |
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Predicted Properties | |
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Chemical Formula | C22H16N4O |
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IUPAC name | (1Z)-1-{2-[4-(2-phenyldiazen-1-yl)phenyl]hydrazin-1-ylidene}-1,2-dihydronaphthalen-2-one |
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InChI Identifier | InChI=1S/C22H16N4O/c27-21-15-10-16-6-4-5-9-20(16)22(21)26-25-19-13-11-18(12-14-19)24-23-17-7-2-1-3-8-17/h1-15,25H/b24-23?,26-22- |
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InChI Key | HTPQPMPFXUWUOT-SRURNFRUSA-N |
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Isomeric SMILES | O=C1C=CC2=CC=CC=C2\C1=N\NC1=CC=C(C=C1)N=NC1=CC=CC=C1 |
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Average Molecular Weight | 352.3886 |
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Monoisotopic Molecular Weight | 352.132411154 |
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Classification |
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Description | Belongs to the class of organic compounds known as azobenzenes. These are organonitrogen aromatic compounds that contain a central azo group, where each nitrogen atom is conjugated to a benzene ring. |
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Kingdom | Organic compounds |
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Super Class | Organoheterocyclic compounds |
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Class | Azobenzenes |
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Sub Class | Not Available |
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Direct Parent | Azobenzenes |
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Alternative Parents | |
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Substituents | - Azobenzene
- Naphthalene
- Phenylhydrazine
- Monocyclic benzene moiety
- Benzenoid
- Azo compound
- Ketone
- Cyclic ketone
- Hydrazone
- Propargyl-type 1,3-dipolar organic compound
- Organic 1,3-dipolar compound
- Organic nitrogen compound
- Organic oxide
- Organopnictogen compound
- Organooxygen compound
- Organonitrogen compound
- Organic oxygen compound
- Carbonyl group
- Hydrocarbon derivative
- Aromatic homopolycyclic compound
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Molecular Framework | Aromatic homopolycyclic compounds |
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External Descriptors | Not Available |
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Ontology |
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Ontology | No ontology term |
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Physico-Chemical Properties |
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Physico-Chemical Properties - Experimental | |
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Spectra |
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Spectra | |
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EI-MS/GC-MS | Not Available |
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MS/MS | Type | Description | Splash Key | View |
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Predicted MS/MS | Predicted LC-MS/MS Spectrum - 10V, Positive | splash10-0udi-1359000000-519ab4d4bc5d34d9bbd2 | 2016-08-03 | View Spectrum | Predicted MS/MS | Predicted LC-MS/MS Spectrum - 20V, Positive | splash10-001i-0900000000-c683e23b6119792cbb91 | 2016-08-03 | View Spectrum | Predicted MS/MS | Predicted LC-MS/MS Spectrum - 40V, Positive | splash10-0002-7790000000-93a89a7addf1eaab9471 | 2016-08-03 | View Spectrum | Predicted MS/MS | Predicted LC-MS/MS Spectrum - 10V, Negative | splash10-0udi-2429000000-e5cc1bbf9cb3854e4e62 | 2016-08-03 | View Spectrum | Predicted MS/MS | Predicted LC-MS/MS Spectrum - 20V, Negative | splash10-114l-5987000000-cb71b45909787faecb64 | 2016-08-03 | View Spectrum | Predicted MS/MS | Predicted LC-MS/MS Spectrum - 40V, Negative | splash10-0a4l-5930000000-5258a3bc248d53442292 | 2016-08-03 | View Spectrum | Predicted MS/MS | Predicted LC-MS/MS Spectrum - 10V, Positive | splash10-0udi-0009000000-3c73bd7bb1543b655e95 | 2021-10-21 | View Spectrum | Predicted MS/MS | Predicted LC-MS/MS Spectrum - 20V, Positive | splash10-0udi-0019000000-3558206e46c220f4dbe1 | 2021-10-21 | View Spectrum | Predicted MS/MS | Predicted LC-MS/MS Spectrum - 40V, Positive | splash10-057j-2923000000-abe6b5ce34361bc27640 | 2021-10-21 | View Spectrum | Predicted MS/MS | Predicted LC-MS/MS Spectrum - 10V, Negative | splash10-0udi-0009000000-fdbb86daf8495432c0ff | 2021-10-21 | View Spectrum | Predicted MS/MS | Predicted LC-MS/MS Spectrum - 20V, Negative | splash10-0udi-0009000000-36a81885e9c6095666e7 | 2021-10-21 | View Spectrum | Predicted MS/MS | Predicted LC-MS/MS Spectrum - 40V, Negative | splash10-00kf-1922000000-a599c54b95d31f5d2af6 | 2021-10-21 | View Spectrum |
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NMR | Not Available |
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External Links |
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ChemSpider ID | Not Available |
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ChEMBL ID | Not Available |
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KEGG Compound ID | Not Available |
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Pubchem Compound ID | 5809667 |
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Pubchem Substance ID | Not Available |
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ChEBI ID | Not Available |
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Phenol-Explorer ID | Not Available |
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DrugBank ID | Not Available |
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HMDB ID | Not Available |
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CRC / DFC (Dictionary of Food Compounds) ID | Not Available |
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EAFUS ID | Not Available |
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Dr. Duke ID | CERASIN |
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BIGG ID | Not Available |
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KNApSAcK ID | C00006965 |
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HET ID | Not Available |
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Food Biomarker Ontology | Not Available |
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VMH ID | Not Available |
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Flavornet ID | Not Available |
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GoodScent ID | Not Available |
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SuperScent ID | Not Available |
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Wikipedia ID | Not Available |
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Phenol-Explorer Metabolite ID | Not Available |
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Duplicate IDS | Not Available |
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Old DFC IDS | Not Available |
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Associated Foods |
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Biological Effects and Interactions |
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Health Effects / Bioactivities | Not Available |
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Enzymes | Not Available |
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Pathways | Not Available |
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Metabolism | Not Available |
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Biosynthesis | Not Available |
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Organoleptic Properties |
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Flavours | Not Available |
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Files |
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MSDS | Not Available |
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References |
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Synthesis Reference | Not Available |
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General Reference | Not Available |
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Content Reference | — Duke, James. 'Dr. Duke's Phytochemical and Ethnobotanical Databases. United States Department of Agriculture.' Agricultural Research Service, Accessed April 27 (2004). — Shinbo, Y., et al. 'KNApSAcK: a comprehensive species-metabolite relationship database.' Plant Metabolomics. Springer Berlin Heidelberg, 2006. 165-181.
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