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 17:29:40 UTC |
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Update Date | 2022-03-07 02:52:07 UTC |
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HMDB ID | HMDB0029322 |
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Secondary Accession Numbers | |
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Metabolite Identification |
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Common Name | 1-Hydroxy-3-methoxy-10-methylacridone |
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Description | 1-Hydroxy-3-methoxy-10-methylacridone, also known as 1-hmma CPD, 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. Based on a literature review very few articles have been published on 1-Hydroxy-3-methoxy-10-methylacridone. |
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Structure | COC1=CC2=C(C(O)=C1)C(=O)C1=CC=CC=C1N2C InChI=1S/C15H13NO3/c1-16-11-6-4-3-5-10(11)15(18)14-12(16)7-9(19-2)8-13(14)17/h3-8,17H,1-2H3 |
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Synonyms | Value | Source |
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1-Hydroxy-3-methoxy-10-methyl-9(10H)-acridinone | HMDB | 1-Hydroxy-3-methoxy-10-methyl-9-acridanone | HMDB | 1-Hydroxy-3-methoxy-N-methylacridone | HMDB | 1-HMMA CPD | HMDB |
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Chemical Formula | C15H13NO3 |
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Average Molecular Weight | 255.2686 |
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Monoisotopic Molecular Weight | 255.089543287 |
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IUPAC Name | 1-hydroxy-3-methoxy-10-methyl-9,10-dihydroacridin-9-one |
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Traditional Name | 1-hydroxy-3-methoxy-10-methylacridin-9-one |
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CAS Registry Number | 13161-83-6 |
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SMILES | COC1=CC2=C(C(O)=C1)C(=O)C1=CC=CC=C1N2C |
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InChI Identifier | InChI=1S/C15H13NO3/c1-16-11-6-4-3-5-10(11)15(18)14-12(16)7-9(19-2)8-13(14)17/h3-8,17H,1-2H3 |
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InChI Key | OCUBFJMZYYIVBO-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
- Anisole
- 1-hydroxy-4-unsubstituted benzenoid
- 1-hydroxy-2-unsubstituted benzenoid
- Alkyl aryl ether
- Pyridine
- Benzenoid
- Heteroaromatic compound
- Vinylogous acid
- Vinylogous amide
- Ether
- Azacycle
- Organic nitrogen compound
- Organooxygen compound
- Organonitrogen compound
- Hydrocarbon derivative
- Organic oxide
- Organic oxygen compound
- Organopnictogen 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 | Not Available |
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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 | 174 - 176 °C | Not Available | Boiling Point | Not Available | Not Available | Water Solubility | Not Available | Not Available | LogP | Not Available | Not Available |
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Experimental Chromatographic Properties | Not Available |
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Predicted Molecular Properties | | Show more...
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Predicted Chromatographic Properties | Predicted Collision Cross SectionsPredicted Kovats Retention IndicesUnderivatizedDerivatized | Show more...
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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 - 1-Hydroxy-3-methoxy-10-methylacridone GC-MS (Non-derivatized) - 70eV, Positive | splash10-056r-0590000000-4b98531d91b4e6c78394 | 2017-09-01 | Wishart Lab | View Spectrum | Predicted GC-MS | Predicted GC-MS Spectrum - 1-Hydroxy-3-methoxy-10-methylacridone GC-MS (1 TMS) - 70eV, Positive | splash10-0229-3395000000-a537b1b3aafa3ea1fed6 | 2017-10-06 | Wishart Lab | View Spectrum | Predicted GC-MS | Predicted GC-MS Spectrum - 1-Hydroxy-3-methoxy-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 - 1-Hydroxy-3-methoxy-10-methylacridone 10V, Positive-QTOF | splash10-0a4i-0090000000-80ed06fb9dfe19feccbd | 2016-06-03 | Wishart Lab | View Spectrum | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - 1-Hydroxy-3-methoxy-10-methylacridone 20V, Positive-QTOF | splash10-0a4i-0090000000-cc0f8628ad35847c8c8c | 2016-06-03 | Wishart Lab | View Spectrum | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - 1-Hydroxy-3-methoxy-10-methylacridone 40V, Positive-QTOF | splash10-0m2a-1590000000-35e97057748d63b207b8 | 2016-06-03 | Wishart Lab | View Spectrum | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - 1-Hydroxy-3-methoxy-10-methylacridone 10V, Negative-QTOF | splash10-0udi-0090000000-c69a58c240611255aabe | 2016-08-03 | Wishart Lab | View Spectrum | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - 1-Hydroxy-3-methoxy-10-methylacridone 20V, Negative-QTOF | splash10-0udi-0090000000-2c9a2560a6ebf050d577 | 2016-08-03 | Wishart Lab | View Spectrum | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - 1-Hydroxy-3-methoxy-10-methylacridone 40V, Negative-QTOF | splash10-0bu1-2590000000-4a9a1bfadb34112f08ae | 2016-08-03 | Wishart Lab | View Spectrum | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - 1-Hydroxy-3-methoxy-10-methylacridone 10V, Negative-QTOF | splash10-0udi-0090000000-9ae27670916c21ee015a | 2021-09-24 | Wishart Lab | View Spectrum | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - 1-Hydroxy-3-methoxy-10-methylacridone 20V, Negative-QTOF | splash10-0udi-0090000000-9ae27670916c21ee015a | 2021-09-24 | Wishart Lab | View Spectrum | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - 1-Hydroxy-3-methoxy-10-methylacridone 40V, Negative-QTOF | splash10-00di-0980000000-784fcff440f81d255ae7 | 2021-09-24 | Wishart Lab | View Spectrum | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - 1-Hydroxy-3-methoxy-10-methylacridone 10V, Positive-QTOF | splash10-0a4i-0090000000-2b12ce52c95b314953da | 2021-09-24 | Wishart Lab | View Spectrum | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - 1-Hydroxy-3-methoxy-10-methylacridone 20V, Positive-QTOF | splash10-0a4i-0090000000-2b12ce52c95b314953da | 2021-09-24 | Wishart Lab | View Spectrum | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - 1-Hydroxy-3-methoxy-10-methylacridone 40V, Positive-QTOF | splash10-0a4i-0950000000-531062178b9f772f0a66 | 2021-09-24 | Wishart 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 | FDB000383 |
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KNApSAcK ID | C00024230 |
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Chemspider ID | 4526466 |
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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 | 5377412 |
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PDB ID | Not Available |
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ChEBI ID | 725388 |
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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 | Not Available |
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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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