Record Information |
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Version | 1.0 |
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Creation date | 2010-04-08 22:09:52 UTC |
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Update date | 2019-11-26 03:05:36 UTC |
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Primary ID | FDB011860 |
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Secondary Accession Numbers | Not Available |
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Chemical Information |
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FooDB Name | Homofureanol |
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Description | Homofureanol belongs to the class of organic compounds known as furanones. Furanones are compounds containing a furan ring bearing a ketone group. Homofureanol is a sweet, butterscotch, and candy tasting compound. Homofureanol has been detected, but not quantified in, several different foods, such as natal plums (Carissa macrocarpa), red tea, american cranberries (Vaccinium macrocarpon), japanese persimmons (Diospyros kaki), and spearmints (Mentha spicata). This could make homofureanol a potential biomarker for the consumption of these foods. Based on a literature review a significant number of articles have been published on Homofureanol. |
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CAS Number | 27538-10-9 |
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Structure | |
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Synonyms | Synonym | Source |
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4-Hydroxy-2-ethyl-5-methyl-3(2H)-furanone | ChEBI | Homofuraneol | ChEBI | 2-Ethyl-4-hydroxy-5-methyl-3(2H)-furanone | HMDB | 2-Ethyl-4-hydroxy-5-methyl-3(2H)-furanone (homofuraneol) | HMDB | 2-Ethyl-4-hydroxy-5-methylfuran-3(2H)-one | HMDB | 4-Hydroxy-2- or 5-ethyl-5- and 2-methyl-3(2H)-furanone | HMDB | Ethyl 4-hydroxy-5-methyl-3(2H)-furanone (homofuraneol) | HMDB | HEMF | HMDB | 4-HEMF | MeSH, HMDB | 4-Hydroxy-5-ethyl-2-methyl-3(2H)-furanone | MeSH, HMDB | 5-Ethyl-4-hydroxy-2-methyl-3(2H)-furanone | MeSH, HMDB | EHMF CPD | MeSH, HMDB | 2-ethyl-4-hydroxy-5-methyl-3(2H)-furanone (homofuraneol) | biospider | 3(2H)-Furanone, 2-ethyl-4-hydroxy-5-methyl- | biospider | 4-hydroxy-2- or 5-ethyl-5- and 2-methyl-3(2H)-furanone | biospider | ethyl 4-hydroxy-5-methyl-3(2H)-furanone (homofuraneol) | biospider | Homofureanol | db_source |
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Predicted Properties | |
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Chemical Formula | C7H10O3 |
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IUPAC name | 2-ethyl-4-hydroxy-5-methyl-2,3-dihydrofuran-3-one |
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InChI Identifier | InChI=1S/C7H10O3/c1-3-5-7(9)6(8)4(2)10-5/h5,8H,3H2,1-2H3 |
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InChI Key | GWCRPYGYVRXVLI-UHFFFAOYSA-N |
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Isomeric SMILES | CCC1OC(C)=C(O)C1=O |
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Average Molecular Weight | 142.1525 |
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Monoisotopic Molecular Weight | 142.062994186 |
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Classification |
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Description | Belongs to the class of organic compounds known as furanones. Furanones are compounds containing a furan ring bearing a ketone group. |
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Kingdom | Organic compounds |
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Super Class | Organoheterocyclic compounds |
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Class | Dihydrofurans |
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Sub Class | Furanones |
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Direct Parent | Furanones |
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Alternative Parents | |
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Substituents | - 3-furanone
- Vinylogous ester
- Cyclic ketone
- Ketone
- Oxacycle
- Organic oxygen compound
- Organic oxide
- Hydrocarbon derivative
- Organooxygen compound
- Carbonyl group
- Aliphatic heteromonocyclic compound
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Molecular Framework | Aliphatic heteromonocyclic compounds |
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External Descriptors | Not Available |
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Ontology |
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Disposition | Route of exposure: Source: Biological location: |
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Role | Biological role: |
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Physico-Chemical Properties - Experimental |
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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 | C 59.14%; H 7.09%; O 33.76% | DFC |
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Melting Point | Not Available | |
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Boiling Point | Bp0.3 85-90° | DFC |
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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 | Homofureanol, non-derivatized, Predicted GC-MS Spectrum - 70eV, Positive | splash10-056r-9100000000-e77441a2926b81d6c1e6 | Spectrum | Predicted GC-MS | Homofureanol, 1 TMS, Predicted GC-MS Spectrum - 70eV, Positive | splash10-004i-8900000000-19d917e9df06c53f68cf | Spectrum | Predicted GC-MS | Homofureanol, 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 | splash10-0006-2900000000-661926735086b21235e4 | 2015-05-27 | View Spectrum | Predicted MS/MS | Predicted LC-MS/MS Spectrum - 20V, Positive | splash10-0006-6900000000-b6df9b77aa2ba2efebc7 | 2015-05-27 | View Spectrum | Predicted MS/MS | Predicted LC-MS/MS Spectrum - 40V, Positive | splash10-0006-9000000000-1c3e8534a205fdd72c67 | 2015-05-27 | View Spectrum | Predicted MS/MS | Predicted LC-MS/MS Spectrum - 10V, Negative | splash10-0006-2900000000-bf10665a914b166457f4 | 2015-05-27 | View Spectrum | Predicted MS/MS | Predicted LC-MS/MS Spectrum - 20V, Negative | splash10-0006-2900000000-a2a2d562eaad775f5009 | 2015-05-27 | View Spectrum | Predicted MS/MS | Predicted LC-MS/MS Spectrum - 40V, Negative | splash10-0aou-9000000000-86b5eedb782b1fcc76ef | 2015-05-27 | View Spectrum | Predicted MS/MS | Predicted LC-MS/MS Spectrum - 10V, Negative | splash10-0006-1900000000-778c2fa37c2b33928995 | 2021-09-22 | View Spectrum | Predicted MS/MS | Predicted LC-MS/MS Spectrum - 20V, Negative | splash10-0a4i-9100000000-bf5192b8eda342418ecf | 2021-09-22 | View Spectrum | Predicted MS/MS | Predicted LC-MS/MS Spectrum - 40V, Negative | splash10-00l6-9100000000-a5531e37cd75d17c3565 | 2021-09-22 | View Spectrum | Predicted MS/MS | Predicted LC-MS/MS Spectrum - 10V, Positive | splash10-0006-4900000000-a0ee6c20f602d6bd47ce | 2021-09-23 | View Spectrum | Predicted MS/MS | Predicted LC-MS/MS Spectrum - 20V, Positive | splash10-05mo-9100000000-4cefd99a9a4004f45b93 | 2021-09-23 | View Spectrum | Predicted MS/MS | Predicted LC-MS/MS Spectrum - 40V, Positive | splash10-000f-9000000000-011dd81555c2778e3b71 | 2021-09-23 | View Spectrum |
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NMR | Not Available |
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External Links |
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ChemSpider ID | 31277 |
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ChEMBL ID | Not Available |
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KEGG Compound ID | Not Available |
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Pubchem Compound ID | 33931 |
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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 | HMDB33736 |
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CRC / DFC (Dictionary of Food Compounds) ID | HBF43-R:HBF43-R |
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EAFUS ID | 1231 |
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Dr. Duke ID | Not Available |
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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 | 27538-10-9 |
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GoodScent ID | rw1491201 |
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SuperScent ID | 33931 |
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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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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 | 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 | Flavor | Citations |
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caramel |
- Arn, H, Acree TE. “Flavornet: A database of aroma compounds based on odor potency in natural products”. Developments in Food Science 40 (1998): 27. doi:10.1016/S0167-4501(98)80029-0
- Dunkel, M. et al. SuperScent – a database of flavors and scents. Nucleic Acids Research 2008, doi:10.1093/nar/gkn695
- The Good Scents Company (2009). Flavor and fragrance information catalog. <http://www.thegoodscentscompany.com/allprod.html> Accessed 15.10.23.
| sweet |
- The Good Scents Company (2009). Flavor and fragrance information catalog. <http://www.thegoodscentscompany.com/allprod.html> Accessed 15.10.23.
| candy |
- The Good Scents Company (2009). Flavor and fragrance information catalog. <http://www.thegoodscentscompany.com/allprod.html> Accessed 15.10.23.
| butterscotch |
- The Good Scents Company (2009). Flavor and fragrance information catalog. <http://www.thegoodscentscompany.com/allprod.html> Accessed 15.10.23.
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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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