Record Information |
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Version | 1.0 |
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Creation date | 2010-04-08 22:11:17 UTC |
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Update date | 2018-05-28 19:24:04 UTC |
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Primary ID | FDB014463 |
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Secondary Accession Numbers | |
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Chemical Information |
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FooDB Name | (±)-trans,trans-delta-Damascone |
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Description | delta-Damascone, also known as δ-damascone or fema 3622, belongs to the class of organic compounds known as enones. Enones are compounds containing the enone functional group, with the structure RC(=O)CR'. delta-Damascone is an extremely weak basic (essentially neutral) compound (based on its pKa). delta-Damascone is a sweet, blackcurrant, and cassis tasting compound. |
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CAS Number | 57378-68-4 |
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Structure | |
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Synonyms | Synonym | Source |
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Δ-damascone | Generator | D-Damascone | HMDB | FEMA 3622 | HMDB | (2E)-1-(2,6,6-trimethyl-3-cyclohexen-1-yl)-2-buten-1-one | biospider | (2E)-1-(2,6,6-trimethylcyclohex-3-en-1-yl)but-2-en-1-one | biospider | 1-(2,6,6-Trimethyl-3-cyclohexen-1-yl)-2-buten-1-one | biospider | 1-(2,6,6-Trimethyl-3-cyclohexen-1-yl)-2-buten-1-one, 9CI; (±)-trans,trans-form | db_source | 2-Buten-1-one, 1-(2,6,6-trimethyl-3-cyclohexen-1-yl)- | biospider | 8-Damascone | biospider | Damascone, delta- | biospider | Delta-damascone | biospider |
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Predicted Properties | |
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Chemical Formula | C13H20O |
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IUPAC name | (2E)-1-(2,6,6-trimethylcyclohex-3-en-1-yl)but-2-en-1-one |
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InChI Identifier | InChI=1S/C13H20O/c1-5-7-11(14)12-10(2)8-6-9-13(12,3)4/h5-8,10,12H,9H2,1-4H3/b7-5+ |
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InChI Key | XEJGJTYRUWUFFD-FNORWQNLSA-N |
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Isomeric SMILES | C\C=C\C(=O)C1C(C)C=CCC1(C)C |
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Average Molecular Weight | 192.2973 |
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Monoisotopic Molecular Weight | 192.151415262 |
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Classification |
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Description | belongs to the class of organic compounds known as enones. Enones are compounds containing the enone functional group, with the structure RC(=O)CR'. |
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Kingdom | Organic compounds |
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Super Class | Organic oxygen compounds |
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Class | Organooxygen compounds |
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Sub Class | Carbonyl compounds |
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Direct Parent | Enones |
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Alternative Parents | |
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Substituents | - Enone
- Acryloyl-group
- Ketone
- Organic oxide
- Hydrocarbon derivative
- Aliphatic homomonocyclic compound
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Molecular Framework | Aliphatic homomonocyclic compounds |
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External Descriptors | Not Available |
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Ontology |
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Disposition | Source: Biological location: |
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Process | Naturally occurring process: |
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Role | Industrial application: 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 81.20%; H 10.48%; O 8.32% | DFC |
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Melting Point | Not Available | |
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Boiling Point | Bp0.6 65-67° | 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 | d234 0.92 | DFC |
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Refractive Index | n23D 1.4890 | DFC |
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Spectra |
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Spectra | |
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External Links |
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ChemSpider ID | 4517857 |
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ChEMBL ID | Not Available |
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KEGG Compound ID | Not Available |
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Pubchem Compound ID | 5365916 |
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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 | HMDB35682 |
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CRC / DFC (Dictionary of Food Compounds) ID | JPY92-M:JQY78-T |
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EAFUS ID | Not Available |
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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 | Not Available |
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GoodScent ID | rw1445021 |
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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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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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fruity |
- 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.
| rose |
- The Good Scents Company (2009). Flavor and fragrance information catalog. <http://www.thegoodscentscompany.com/allprod.html> Accessed 15.10.23.
| natural |
- The Good Scents Company (2009). Flavor and fragrance information catalog. <http://www.thegoodscentscompany.com/allprod.html> Accessed 15.10.23.
| petal |
- The Good Scents Company (2009). Flavor and fragrance information catalog. <http://www.thegoodscentscompany.com/allprod.html> Accessed 15.10.23.
| cassis |
- The Good Scents Company (2009). Flavor and fragrance information catalog. <http://www.thegoodscentscompany.com/allprod.html> Accessed 15.10.23.
| blackcurrant |
- 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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