Record Information |
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Version | 1.0 |
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Creation date | 2010-04-08 22:04:25 UTC |
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Update date | 2020-02-24 19:10:06 UTC |
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Primary ID | FDB000078 |
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Secondary Accession Numbers | Not Available |
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Chemical Information |
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FooDB Name | Luteolinidin |
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Description | Luteolinidin belongs to the class of organic compounds known as 7-hydroxyflavonoids. These are flavonoids that bear one hydroxyl group at the C-7 position of the flavonoid skeleton. Luteolinidin has been detected, but not quantified in, corns (Zea mays). This could make luteolinidin a potential biomarker for the consumption of these foods. Based on a literature review very few articles have been published on Luteolinidin. |
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CAS Number | 1154-78-5 |
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Structure | |
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Synonyms | Synonym | Source |
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2-(3,4-Dihydroxyphenyl)-5,7-dihydroxy-1-benzopyrylium(1+), 9ci | HMDB | 5,7,3',4'-Tetrahydroxyflavylium | HMDB | Luteolidin | HMDB | 2-(3,4-Dihydroxyphenyl)-5,7-dihydroxy-1-benzopyrylium(1+), 9CI | db_source |
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Predicted Properties | |
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Chemical Formula | C15H11O5 |
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IUPAC name | 2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-1λ⁴-chromen-1-ylium |
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InChI Identifier | InChI=1S/C15H10O5/c16-9-6-12(18)10-2-4-14(20-15(10)7-9)8-1-3-11(17)13(19)5-8/h1-7H,(H3-,16,17,18,19)/p+1 |
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InChI Key | GDNIGMNXEKGFIP-UHFFFAOYSA-O |
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Isomeric SMILES | OC1=CC2=[O+]C(=CC=C2C(O)=C1)C1=CC=C(O)C(O)=C1 |
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Average Molecular Weight | 271.2448 |
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Monoisotopic Molecular Weight | 271.060648462 |
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Classification |
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Description | Belongs to the class of organic compounds known as 7-hydroxyflavonoids. These are flavonoids that bear one hydroxyl group at the C-7 position of the flavonoid skeleton. |
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Kingdom | Organic compounds |
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Super Class | Phenylpropanoids and polyketides |
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Class | Flavonoids |
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Sub Class | Hydroxyflavonoids |
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Direct Parent | 7-hydroxyflavonoids |
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Alternative Parents | |
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Substituents | - 3'-hydroxyflavonoid
- 4'-hydroxyflavonoid
- 5-hydroxyflavonoid
- 7-hydroxyflavonoid
- Anthocyanidin
- 1-benzopyran
- Benzopyran
- Catechol
- 1-hydroxy-4-unsubstituted benzenoid
- 1-hydroxy-2-unsubstituted benzenoid
- Phenol
- Benzenoid
- Monocyclic benzene moiety
- Heteroaromatic compound
- Oxacycle
- Organoheterocyclic compound
- Hydrocarbon derivative
- Organic oxygen compound
- Organooxygen compound
- Organic cation
- Aromatic heteropolycyclic compound
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Molecular Framework | Aromatic heteropolycyclic compounds |
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External Descriptors | |
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Ontology |
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Disposition | Route of exposure: Source: Biological location: |
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Physico-Chemical Properties |
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Physico-Chemical Properties - Experimental | Property | Value | Reference |
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Physical state | Not Available | |
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Physical Description | Not Available | |
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Mass Composition | Not Available | |
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Melting Point | Not Available | |
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Boiling Point | Not Available | |
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Experimental Water Solubility | Not Available | |
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Experimental logP | Not Available | |
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Experimental pKa | Not Available | |
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Isoelectric point | Not Available | |
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Charge | Not Available | |
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Optical Rotation | Not Available | |
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Spectroscopic UV Data | Not Available | |
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Density | Not Available | |
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Refractive Index | Not Available | |
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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 | Luteolinidin, non-derivatized, Predicted GC-MS Spectrum - 70eV, Positive | splash10-00ec-0890000000-39a215c2e421ac366d6b | Spectrum | Predicted GC-MS | Luteolinidin, 4 TMS, Predicted GC-MS Spectrum - 70eV, Positive | splash10-007c-3130940000-2337039991f5aedf3f5b | Spectrum | Predicted GC-MS | Luteolinidin, non-derivatized, Predicted GC-MS Spectrum - 70eV, Positive | Not Available | Spectrum | Predicted GC-MS | Luteolinidin, 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 | splash10-00di-0090000000-4ca843fa557b4e5602f0 | 2016-08-03 | View Spectrum | Predicted MS/MS | Predicted LC-MS/MS Spectrum - 20V, Positive | splash10-00di-0090000000-0d4dc591b81def0597ae | 2016-08-03 | View Spectrum | Predicted MS/MS | Predicted LC-MS/MS Spectrum - 40V, Positive | splash10-0pxr-1590000000-529391b3d7461665724a | 2016-08-03 | View Spectrum | Predicted MS/MS | Predicted LC-MS/MS Spectrum - 10V, Negative | splash10-00di-0090000000-cc14a178d02a4cd44172 | 2016-08-03 | View Spectrum | Predicted MS/MS | Predicted LC-MS/MS Spectrum - 20V, Negative | splash10-00di-0090000000-d8ab9373bf4d9f8f1f1c | 2016-08-03 | View Spectrum | Predicted MS/MS | Predicted LC-MS/MS Spectrum - 40V, Negative | splash10-0006-3390000000-9939bf4fbca150268bca | 2016-08-03 | View Spectrum | Predicted MS/MS | Predicted LC-MS/MS Spectrum - 10V, Positive | splash10-00di-0090000000-2639037899901ff16f82 | 2021-09-23 | View Spectrum | Predicted MS/MS | Predicted LC-MS/MS Spectrum - 20V, Positive | splash10-00di-0090000000-34da4908e7deb405bec5 | 2021-09-23 | View Spectrum | Predicted MS/MS | Predicted LC-MS/MS Spectrum - 40V, Positive | splash10-0w4j-0590000000-f49ed09118da0a74f7be | 2021-09-23 | View Spectrum |
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NMR | Not Available |
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External Links |
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ChemSpider ID | 390308 |
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ChEMBL ID | CHEMBL1275834 |
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KEGG Compound ID | C08652 |
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Pubchem Compound ID | 441701 |
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Pubchem Substance ID | Not Available |
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ChEBI ID | 6584 |
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Phenol-Explorer ID | 98 |
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DrugBank ID | Not Available |
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HMDB ID | HMDB29249 |
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CRC / DFC (Dictionary of Food Compounds) ID | BFJ82-K:BFJ82-K |
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EAFUS ID | Not Available |
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Dr. Duke ID | LUTEOLINIDIN |
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BIGG ID | Not Available |
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KNApSAcK ID | Not Available |
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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 | Luteolinidin |
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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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Food | Content Range | Average | Reference |
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Food | | | Reference |
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Biological Effects and Interactions |
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Health Effects / Bioactivities | Descriptor | ID | Definition | Reference |
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pigment | 26130 | An endogenous molecular entity that results in a colour of an organism as the consequence of the selective absorption of light. | DUKE |
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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).
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