Record Information |
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Version | 1.0 |
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Creation date | 2010-04-08 22:09:40 UTC |
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Update date | 2019-11-26 03:04:59 UTC |
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Primary ID | FDB011494 |
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Secondary Accession Numbers | Not Available |
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Chemical Information |
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FooDB Name | 2-Hydroxy-3-methyl-9H-carbazole |
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Description | 2-Hydroxy-3-methyl-9H-carbazole belongs to the class of organic compounds known as carbazoles. Carbazoles are compounds containing a three ring system containing a pyrrole ring fused on either side to a benzene ring. 2-Hydroxy-3-methyl-9H-carbazole has been detected, but not quantified in, herbs and spices. This could make 2-hydroxy-3-methyl-9H-carbazole a potential biomarker for the consumption of these foods. Based on a literature review very few articles have been published on 2-Hydroxy-3-methyl-9H-carbazole. |
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CAS Number | 24224-30-4 |
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Structure | |
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Synonyms | |
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Predicted Properties | |
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Chemical Formula | C13H11NO |
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IUPAC name | 3-methyl-9H-carbazol-2-ol |
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InChI Identifier | InChI=1S/C13H11NO/c1-8-6-10-9-4-2-3-5-11(9)14-12(10)7-13(8)15/h2-7,14-15H,1H3 |
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InChI Key | ZLOJFAGTWDOURE-UHFFFAOYSA-N |
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Isomeric SMILES | CC1=C(O)C=C2NC3=CC=CC=C3C2=C1 |
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Average Molecular Weight | 197.2325 |
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Monoisotopic Molecular Weight | 197.084063979 |
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Classification |
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Description | Belongs to the class of organic compounds known as carbazoles. Carbazoles are compounds containing a three ring system containing a pyrrole ring fused on either side to a benzene ring. |
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Kingdom | Organic compounds |
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Super Class | Organoheterocyclic compounds |
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Class | Indoles and derivatives |
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Sub Class | Carbazoles |
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Direct Parent | Carbazoles |
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Alternative Parents | |
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Substituents | - Carbazole
- Hydroxyindole
- Indole
- 1-hydroxy-2-unsubstituted benzenoid
- Benzenoid
- Heteroaromatic compound
- Pyrrole
- Azacycle
- Organic nitrogen compound
- Organic oxygen compound
- Organopnictogen compound
- Hydrocarbon derivative
- Organooxygen compound
- Organonitrogen 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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Ontology |
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Disposition | Route of exposure: Biological location: Source: |
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Role | Biological role: |
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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 | Type | Description | Splash Key | View |
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Predicted GC-MS | 2-Hydroxy-3-methyl-9H-carbazole, non-derivatized, Predicted GC-MS Spectrum - 70eV, Positive | splash10-0002-0900000000-2a3bf0e941f7e5c35236 | Spectrum | Predicted GC-MS | 2-Hydroxy-3-methyl-9H-carbazole, 1 TMS, Predicted GC-MS Spectrum - 70eV, Positive | splash10-0v4j-5890000000-b3370ce0ce38de0098ae | Spectrum | Predicted GC-MS | 2-Hydroxy-3-methyl-9H-carbazole, non-derivatized, Predicted GC-MS Spectrum - 70eV, Positive | Not Available | Spectrum |
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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 | splash10-0002-0900000000-ef329a20346840cf15cc | 2015-04-24 | View Spectrum | Predicted MS/MS | Predicted LC-MS/MS Spectrum - 20V, Positive | splash10-0002-0900000000-83afb2e2a69af3230fbc | 2015-04-24 | View Spectrum | Predicted MS/MS | Predicted LC-MS/MS Spectrum - 40V, Positive | splash10-001i-0900000000-a8b7d3eb098b7d2eb56d | 2015-04-24 | View Spectrum | Predicted MS/MS | Predicted LC-MS/MS Spectrum - 10V, Negative | splash10-0002-0900000000-d04132a75959c7ce2047 | 2015-04-25 | View Spectrum | Predicted MS/MS | Predicted LC-MS/MS Spectrum - 20V, Negative | splash10-0002-0900000000-2be6f06856b67bee0c0a | 2015-04-25 | View Spectrum | Predicted MS/MS | Predicted LC-MS/MS Spectrum - 40V, Negative | splash10-05u5-0900000000-08f3272d93b784a30f2c | 2015-04-25 | View Spectrum | Predicted MS/MS | Predicted LC-MS/MS Spectrum - 10V, Positive | splash10-0002-0900000000-491ca48869fda5e065b2 | 2021-09-22 | View Spectrum | Predicted MS/MS | Predicted LC-MS/MS Spectrum - 20V, Positive | splash10-0002-0900000000-491ca48869fda5e065b2 | 2021-09-22 | View Spectrum | Predicted MS/MS | Predicted LC-MS/MS Spectrum - 40V, Positive | splash10-00ne-0900000000-9689c608f3e069f37599 | 2021-09-22 | View Spectrum | Predicted MS/MS | Predicted LC-MS/MS Spectrum - 10V, Negative | splash10-0002-0900000000-cd9fcaa201d461174dab | 2021-09-23 | View Spectrum | Predicted MS/MS | Predicted LC-MS/MS Spectrum - 20V, Negative | splash10-0002-0900000000-22e51f36c9b0590eabb9 | 2021-09-23 | View Spectrum | Predicted MS/MS | Predicted LC-MS/MS Spectrum - 40V, Negative | splash10-0f6y-0900000000-2535b880529a9a1b915b | 2021-09-23 | View Spectrum |
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NMR | Not Available |
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External Links |
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ChemSpider ID | 2701142 |
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ChEMBL ID | CHEMBL1927325 |
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KEGG Compound ID | Not Available |
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Pubchem Compound ID | 3459141 |
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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 | HMDB33455 |
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CRC / DFC (Dictionary of Food Compounds) ID | GPQ25-Z:GPQ25-Z |
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EAFUS ID | Not Available |
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Dr. Duke ID | Not Available |
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BIGG ID | Not Available |
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KNApSAcK ID | C00024672 |
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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 | |
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