Record Information |
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Version | 1.0 |
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Creation date | 2010-04-08 22:15:28 UTC |
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Update date | 2019-11-26 03:19:52 UTC |
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Primary ID | FDB021092 |
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Secondary Accession Numbers | Not Available |
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Chemical Information |
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FooDB Name | Methoxyeugenol |
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Description | Methoxyeugenol belongs to the class of organic compounds known as methoxyphenols. Methoxyphenols are compounds containing a methoxy group attached to the benzene ring of a phenol moiety. Methoxyeugenol is a sweet, bacon, and burnt tasting compound. Methoxyeugenol has been detected, but not quantified in, a few different foods, such as bananas (Musa acuminata), herbs and spices, and star anises (Illicium verum). This could make methoxyeugenol a potential biomarker for the consumption of these foods. Based on a literature review a significant number of articles have been published on Methoxyeugenol. |
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CAS Number | 6627-88-9 |
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Structure | |
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Synonyms | |
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Predicted Properties | |
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Chemical Formula | C11H14O3 |
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IUPAC name | 2,6-dimethoxy-4-(prop-2-en-1-yl)phenol |
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InChI Identifier | InChI=1S/C11H14O3/c1-4-5-8-6-9(13-2)11(12)10(7-8)14-3/h4,6-7,12H,1,5H2,2-3H3 |
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InChI Key | FWMPKHMKIJDEMJ-UHFFFAOYSA-N |
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Isomeric SMILES | COC1=CC(CC=C)=CC(OC)=C1O |
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Average Molecular Weight | 194.2271 |
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Monoisotopic Molecular Weight | 194.094294314 |
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Classification |
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Description | Belongs to the class of organic compounds known as methoxyphenols. Methoxyphenols are compounds containing a methoxy group attached to the benzene ring of a phenol moiety. |
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Kingdom | Organic compounds |
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Super Class | Benzenoids |
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Class | Phenols |
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Sub Class | Methoxyphenols |
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Direct Parent | Methoxyphenols |
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Alternative Parents | |
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Substituents | - M-dimethoxybenzene
- Dimethoxybenzene
- Methoxyphenol
- Phenoxy compound
- Methoxybenzene
- Phenol ether
- Anisole
- Alkyl aryl ether
- Monocyclic benzene moiety
- Ether
- Organic oxygen compound
- Hydrocarbon derivative
- Organooxygen compound
- Aromatic homomonocyclic compound
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Molecular Framework | Aromatic homomonocyclic 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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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 | Methoxyeugenol, non-derivatized, Predicted GC-MS Spectrum - 70eV, Positive | splash10-0fvl-1900000000-6bb088a84e5d530fd6a9 | Spectrum | Predicted GC-MS | Methoxyeugenol, 1 TMS, Predicted GC-MS Spectrum - 70eV, Positive | splash10-0umi-6290000000-ddd8fa9b2271b5e885fa | Spectrum | Predicted GC-MS | Methoxyeugenol, 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-bf95219cde86264ddd0e | 2016-08-03 | View Spectrum | Predicted MS/MS | Predicted LC-MS/MS Spectrum - 20V, Positive | splash10-0002-1900000000-b3789d49cb1d02ff5e01 | 2016-08-03 | View Spectrum | Predicted MS/MS | Predicted LC-MS/MS Spectrum - 40V, Positive | splash10-0006-7900000000-2b4993fb9c656f50c42f | 2016-08-03 | View Spectrum | Predicted MS/MS | Predicted LC-MS/MS Spectrum - 10V, Negative | splash10-0006-0900000000-1cb6aa76e853c97dffa4 | 2016-08-03 | View Spectrum | Predicted MS/MS | Predicted LC-MS/MS Spectrum - 20V, Negative | splash10-0006-0900000000-7a91ae9052ae5aad302c | 2016-08-03 | View Spectrum | Predicted MS/MS | Predicted LC-MS/MS Spectrum - 40V, Negative | splash10-0a6s-3900000000-2d0b6fcc14c0098a2b40 | 2016-08-03 | View Spectrum | Predicted MS/MS | Predicted LC-MS/MS Spectrum - 10V, Positive | splash10-0002-0900000000-62e0a52145f670b429c1 | 2021-09-23 | View Spectrum | Predicted MS/MS | Predicted LC-MS/MS Spectrum - 20V, Positive | splash10-0002-1900000000-9d68b2e71ed843fa1b9a | 2021-09-23 | View Spectrum | Predicted MS/MS | Predicted LC-MS/MS Spectrum - 40V, Positive | splash10-00ou-9100000000-2bed599e076c0fa0e319 | 2021-09-23 | View Spectrum | Predicted MS/MS | Predicted LC-MS/MS Spectrum - 10V, Negative | splash10-0006-0900000000-b336d2e98c182ff7e0b0 | 2021-09-24 | View Spectrum | Predicted MS/MS | Predicted LC-MS/MS Spectrum - 20V, Negative | splash10-01ox-1900000000-fb6a83b5e663fc04cc80 | 2021-09-24 | View Spectrum | Predicted MS/MS | Predicted LC-MS/MS Spectrum - 40V, Negative | splash10-02t9-9300000000-a8dc328f94fd3fc6319f | 2021-09-24 | View Spectrum |
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NMR | Not Available |
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External Links |
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ChemSpider ID | 196968 |
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ChEMBL ID | CHEMBL2059292 |
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KEGG Compound ID | Not Available |
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Pubchem Compound ID | 226486 |
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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 | HMDB41194 |
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CRC / DFC (Dictionary of Food Compounds) ID | NKV52-U:NKV54-W |
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EAFUS ID | 104 |
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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 | 6627-88-9 |
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GoodScent ID | rw1037281 |
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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 | |
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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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