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Record Information |
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Version | 5.0 |
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Status | Expected but not Quantified |
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Creation Date | 2012-09-11 17:53:10 UTC |
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Update Date | 2023-02-21 17:22:57 UTC |
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HMDB ID | HMDB0033000 |
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Secondary Accession Numbers | |
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Metabolite Identification |
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Common Name | 10-Methylacridone |
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Description | 10-Methylacridone belongs to the class of organic compounds known as acridones. These are acridines containing a ketone group attached to the C9 carbon atom of the acridine moiety. 10-Methylacridone has been detected, but not quantified in, citrus. This could make 10-methylacridone a potential biomarker for the consumption of these foods. Based on a literature review a significant number of articles have been published on 10-Methylacridone. |
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Structure | CN1C2=CC=CC=C2C(=O)C2=CC=CC=C12 InChI=1S/C14H11NO/c1-15-12-8-4-2-6-10(12)14(16)11-7-3-5-9-13(11)15/h2-9H,1H3 |
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Synonyms | Value | Source |
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10-Methyl-9(10H)-acridinone | HMDB | 10-Methyl-9(10H)-acridinone, 9ci | HMDB | 10-Methyl-9(10H)-acridone | HMDB | 10-Methyl-9-acridanone | HMDB | 10-Methyl-9-acridanone, 8ci | HMDB | 10-Methylacridin-9(10H)-one | HMDB | 10-Methylacridon | HMDB | 9(10H)-Acridinone, 10-methyl- (9ci) | HMDB | 9-Acridanone, 10-methyl- (8ci) | HMDB | N-Methyl-9-acridone | HMDB | N-Methyl-acridone | HMDB | N-Methylacridone | HMDB |
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Chemical Formula | C14H11NO |
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Average Molecular Weight | 209.2432 |
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Monoisotopic Molecular Weight | 209.084063979 |
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IUPAC Name | 10-methyl-9,10-dihydroacridin-9-one |
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Traditional Name | 10-methylacridin-9-one |
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CAS Registry Number | 719-54-0 |
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SMILES | CN1C2=CC=CC=C2C(=O)C2=CC=CC=C12 |
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InChI Identifier | InChI=1S/C14H11NO/c1-15-12-8-4-2-6-10(12)14(16)11-7-3-5-9-13(11)15/h2-9H,1H3 |
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InChI Key | XUVKSPPGPPFPQN-UHFFFAOYSA-N |
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Chemical Taxonomy |
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Description | Belongs to the class of organic compounds known as acridones. These are acridines containing a ketone group attached to the C9 carbon atom of the acridine moiety. |
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Kingdom | Organic compounds |
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Super Class | Organoheterocyclic compounds |
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Class | Quinolines and derivatives |
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Sub Class | Benzoquinolines |
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Direct Parent | Acridones |
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Alternative Parents | |
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Substituents | - Acridone
- Dihydroquinolone
- Dihydroquinoline
- Pyridine
- Benzenoid
- Heteroaromatic compound
- Vinylogous amide
- Azacycle
- Organic nitrogen compound
- Hydrocarbon derivative
- Organic oxide
- Organooxygen compound
- Organonitrogen compound
- Organopnictogen compound
- 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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Ontology |
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Physiological effect | Not Available |
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Disposition | |
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Process | Not Available |
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Role | |
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Physical Properties |
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State | Solid |
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Experimental Molecular Properties | Property | Value | Reference |
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Melting Point | 199 - 200 °C | Not Available | Boiling Point | Not Available | Not Available | Water Solubility | 37.75 mg/L @ 25 °C (est) | The Good Scents Company Information System | LogP | Not Available | Not Available |
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Experimental Chromatographic Properties | Not Available |
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Predicted Molecular Properties | |
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Predicted Chromatographic Properties | Predicted Collision Cross SectionsPredicted Kovats Retention IndicesUnderivatized |
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Spectra |
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| GC-MS SpectraSpectrum Type | Description | Splash Key | Deposition Date | Source | View |
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Predicted GC-MS | Predicted GC-MS Spectrum - 10-Methylacridone GC-MS (Non-derivatized) - 70eV, Positive | splash10-0a59-0960000000-4bccaf932e0e07077d9b | 2017-09-01 | Wishart Lab | View Spectrum | Predicted GC-MS | Predicted GC-MS Spectrum - 10-Methylacridone GC-MS (Non-derivatized) - 70eV, Positive | Not Available | 2021-10-12 | Wishart Lab | View Spectrum |
MS/MS SpectraSpectrum Type | Description | Splash Key | Deposition Date | Source | View |
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Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - 10-Methylacridone 10V, Negative-QTOF | splash10-0a4i-0090000000-1351596cb53dc3547c61 | 2015-04-25 | Wishart Lab | View Spectrum | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - 10-Methylacridone 20V, Negative-QTOF | splash10-0a4i-0090000000-2abad9b5b9114d84ec55 | 2015-04-25 | Wishart Lab | View Spectrum | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - 10-Methylacridone 40V, Negative-QTOF | splash10-052f-1940000000-024b5a1f2fb72f77e724 | 2015-04-25 | Wishart Lab | View Spectrum | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - 10-Methylacridone 10V, Negative-QTOF | splash10-0a4i-0090000000-9f12ac38c8faae87e87f | 2021-09-24 | Wishart Lab | View Spectrum | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - 10-Methylacridone 20V, Negative-QTOF | splash10-0a4i-0090000000-9f12ac38c8faae87e87f | 2021-09-24 | Wishart Lab | View Spectrum | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - 10-Methylacridone 40V, Negative-QTOF | splash10-0a4i-0390000000-fb11d194eb7deea2fb64 | 2021-09-24 | Wishart Lab | View Spectrum | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - 10-Methylacridone 10V, Positive-QTOF | splash10-03di-0090000000-8cc4e9131b8005596fb1 | 2015-04-24 | Wishart Lab | View Spectrum | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - 10-Methylacridone 20V, Positive-QTOF | splash10-03di-0090000000-ad6dfbcd1d555fdba260 | 2015-04-24 | Wishart Lab | View Spectrum | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - 10-Methylacridone 40V, Positive-QTOF | splash10-0lyo-2920000000-260d77ef86d134b4cd62 | 2015-04-24 | Wishart Lab | View Spectrum | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - 10-Methylacridone 10V, Positive-QTOF | splash10-03di-0090000000-c353998d16bfd154b10e | 2021-09-24 | Wishart Lab | View Spectrum | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - 10-Methylacridone 20V, Positive-QTOF | splash10-03di-0090000000-c353998d16bfd154b10e | 2021-09-24 | Wishart Lab | View Spectrum | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - 10-Methylacridone 40V, Positive-QTOF | splash10-0a6r-4950000000-0ffe448453543fa835a5 | 2021-09-24 | Wishart Lab | View Spectrum |
IR SpectraSpectrum Type | Description | Deposition Date | Source | View |
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Predicted IR Spectrum | IR Ion Spectrum (Predicted IRIS Spectrum, Adduct: [M+H]+) | 2023-02-04 | FELIX lab | View Spectrum | Predicted IR Spectrum | IR Ion Spectrum (Predicted IRIS Spectrum, Adduct: [M+Na]+) | 2023-02-04 | FELIX lab | View Spectrum |
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Biological Properties |
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Cellular Locations | |
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Biospecimen Locations | Not Available |
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Tissue Locations | Not Available |
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Pathways | |
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Normal Concentrations |
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| Not Available |
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Abnormal Concentrations |
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| Not Available |
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Associated Disorders and Diseases |
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Disease References | None |
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Associated OMIM IDs | None |
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External Links |
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DrugBank ID | Not Available |
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Phenol Explorer Compound ID | Not Available |
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FooDB ID | FDB010989 |
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KNApSAcK ID | C00052396 |
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Chemspider ID | 62950 |
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KEGG Compound ID | Not Available |
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BioCyc ID | Not Available |
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BiGG ID | Not Available |
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Wikipedia Link | Not Available |
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METLIN ID | Not Available |
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PubChem Compound | 69751 |
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PDB ID | Not Available |
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ChEBI ID | Not Available |
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Food Biomarker Ontology | Not Available |
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VMH ID | Not Available |
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MarkerDB ID | Not Available |
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Good Scents ID | rw1157071 |
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References |
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Synthesis Reference | Not Available |
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Material Safety Data Sheet (MSDS) | Not Available |
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General References | - (). Yannai, Shmuel. (2004) Dictionary of food compounds with CD-ROM: Additives, flavors, and ingredients. Boca Raton: Chapman & Hall/CRC.. .
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