Record Information |
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Version | 1.0 |
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Creation date | 2010-04-08 22:10:52 UTC |
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Update date | 2019-11-26 03:08:54 UTC |
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Primary ID | FDB013710 |
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Secondary Accession Numbers | Not Available |
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Chemical Information |
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FooDB Name | (+)-1(10),4-Cadinadiene |
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Description | (+)-1(10),4-Cadinadiene, also known as (1S,8ar)-delta-cadinene or delta-amorphene, belongs to the class of organic compounds known as sesquiterpenoids. These are terpenes with three consecutive isoprene units. Thus, (+)-1(10),4-cadinadiene is considered to be an isoprenoid. Based on a literature review a small amount of articles have been published on (+)-1(10),4-Cadinadiene. |
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CAS Number | 483-76-1 |
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Structure | |
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Synonyms | Synonym | Source |
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(1S,8AR)-4,7-dimethyl-1-(propan-2-yl)-1,2,3,5,6,8a-hexahydronaphthalene | ChEBI | (1S,8AR)-delta-cadinene | ChEBI | delta-Amorphene | ChEBI | delta-Cadinene | ChEBI | (+)-delta-Cadinene | Kegg | (1S,8AR)-δ-cadinene | Generator | Δ-amorphene | Generator | Δ-cadinene | Generator | (+)-Δ-cadinene | Generator | (+)-1S,8AR-cadina-1(10),4-diene | HMDB | (+)-D-Cadinene | HMDB | 1,2,3,5,6,8a-hexahydro-4,7-Dimethyl-1-(1-methylethyl)-(1S,8ar)-naphthalene | HMDB | D-Cadinene | HMDB | Cadina-1(10),4-diene | PhytoBank | (±)-delta-Cadinene | PhytoBank | (±)-δ-Cadinene | PhytoBank | Dysoxylonene | PhytoBank | Dysoxylonen | PhytoBank | delta-Cardinene | PhytoBank | δ-Cardinene | PhytoBank | (+)-1S,8aR-Cadina-1(10),4-diene | biospider | (+)-d-Cadinene | manual | (+)-Delta-cadinene | biospider | (+)-δ-cadinene | Generator | d-Cadinene | manual | Naphthalene, 1,2,3,5,6,8a-hexahydro-4,7-dimethyl-1-(1-methylethyl)-, (1S,8aR)- | manual | δ-amorphene | Generator | δ-cadinene | Generator |
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Predicted Properties | |
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Chemical Formula | C15H24 |
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IUPAC name | (1S,8aR)-4,7-dimethyl-1-(propan-2-yl)-1,2,3,5,6,8a-hexahydronaphthalene |
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InChI Identifier | InChI=1S/C15H24/c1-10(2)13-8-6-12(4)14-7-5-11(3)9-15(13)14/h9-10,13,15H,5-8H2,1-4H3/t13-,15-/m0/s1 |
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InChI Key | FUCYIEXQVQJBKY-ZFWWWQNUSA-N |
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Isomeric SMILES | [H][C@@]12C=C(C)CCC1=C(C)CC[C@H]2C(C)C |
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Average Molecular Weight | 204.357 |
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Monoisotopic Molecular Weight | 204.187800773 |
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Classification |
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Description | Belongs to the class of organic compounds known as sesquiterpenoids. These are terpenes with three consecutive isoprene units. |
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Kingdom | Organic compounds |
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Super Class | Lipids and lipid-like molecules |
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Class | Prenol lipids |
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Sub Class | Sesquiterpenoids |
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Direct Parent | Sesquiterpenoids |
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Alternative Parents | |
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Substituents | - Sesquiterpenoid
- Cadinane sesquiterpenoid
- Branched unsaturated hydrocarbon
- Polycyclic hydrocarbon
- Cyclic olefin
- Unsaturated aliphatic hydrocarbon
- Unsaturated hydrocarbon
- Olefin
- Hydrocarbon
- Aliphatic homopolycyclic compound
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Molecular Framework | Aliphatic homopolycyclic 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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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 88.16%; H 11.84% | DFC |
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Melting Point | Not Available | |
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Boiling Point | Bp10 133-134° | 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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GC-MS | (+)-1(10),4-Cadinadiene, non-derivatized, GC-MS Spectrum | splash10-03e9-4910000000-d866d006ef5edc06b50d | Spectrum | GC-MS | (+)-1(10),4-Cadinadiene, non-derivatized, GC-MS Spectrum | splash10-03e9-4910000000-d866d006ef5edc06b50d | Spectrum | Predicted GC-MS | (+)-1(10),4-Cadinadiene, non-derivatized, Predicted GC-MS Spectrum - 70eV, Positive | splash10-01p2-2900000000-7e0e6d0a32506b6eb933 | Spectrum | Predicted GC-MS | (+)-1(10),4-Cadinadiene, 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 | splash10-0a4i-0490000000-85ec97b8032d4370cfe0 | 2016-06-03 | View Spectrum | Predicted MS/MS | Predicted LC-MS/MS Spectrum - 20V, Positive | splash10-0bta-2920000000-51a0b00ff6967440ef07 | 2016-06-03 | View Spectrum | Predicted MS/MS | Predicted LC-MS/MS Spectrum - 40V, Positive | splash10-02bk-5900000000-d0bfeebca8e74869b58e | 2016-06-03 | View Spectrum | Predicted MS/MS | Predicted LC-MS/MS Spectrum - 10V, Negative | splash10-0udi-0090000000-fe8dc7c5f863461e974f | 2016-08-03 | View Spectrum | Predicted MS/MS | Predicted LC-MS/MS Spectrum - 20V, Negative | splash10-0udi-0190000000-55a43b599b1e9bc5b16a | 2016-08-03 | View Spectrum | Predicted MS/MS | Predicted LC-MS/MS Spectrum - 40V, Negative | splash10-0h2s-0910000000-6ad78804a6c28a720abf | 2016-08-03 | View Spectrum | Predicted MS/MS | Predicted LC-MS/MS Spectrum - 10V, Positive | splash10-0a4i-0490000000-5d5cdcbbeb2b24c28701 | 2021-09-22 | View Spectrum | Predicted MS/MS | Predicted LC-MS/MS Spectrum - 20V, Positive | splash10-0c01-3930000000-6aa320f1e378f197caf2 | 2021-09-22 | View Spectrum | Predicted MS/MS | Predicted LC-MS/MS Spectrum - 40V, Positive | splash10-0006-9300000000-011ac33d2677c648ab89 | 2021-09-22 | View Spectrum | Predicted MS/MS | Predicted LC-MS/MS Spectrum - 10V, Negative | splash10-0udi-0090000000-7ccf03fa1149a1e9f55f | 2021-09-22 | View Spectrum | Predicted MS/MS | Predicted LC-MS/MS Spectrum - 20V, Negative | splash10-0udi-0090000000-7ccf03fa1149a1e9f55f | 2021-09-22 | View Spectrum | Predicted MS/MS | Predicted LC-MS/MS Spectrum - 40V, Negative | splash10-0udi-0090000000-0b1ac00c3b3c6c0a73b9 | 2021-09-22 | View Spectrum |
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NMR | Not Available |
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External Links |
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ChemSpider ID | 389830 |
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ChEMBL ID | CHEMBL445759 |
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KEGG Compound ID | C06394 |
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Pubchem Compound ID | 441005 |
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Pubchem Substance ID | Not Available |
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ChEBI ID | 15385 |
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Phenol-Explorer ID | Not Available |
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DrugBank ID | Not Available |
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HMDB ID | HMDB35084 |
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CRC / DFC (Dictionary of Food Compounds) ID | JPH89-J:JGF07-O |
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EAFUS ID | Not Available |
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Dr. Duke ID | DELTA-CADINENE |
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BIGG ID | Not Available |
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KNApSAcK ID | C00007636 |
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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 | 483-76-1 |
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GoodScent ID | rw1054621 |
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SuperScent ID | Not Available |
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Wikipedia ID | Cadinene |
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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 | |
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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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thyme |
- 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
- The Good Scents Company (2009). Flavor and fragrance information catalog. <http://www.thegoodscentscompany.com/allprod.html> Accessed 15.10.23.
| medicine |
- 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
| wood |
- 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
| herbal |
- The Good Scents Company (2009). Flavor and fragrance information catalog. <http://www.thegoodscentscompany.com/allprod.html> Accessed 15.10.23.
| woody |
- The Good Scents Company (2009). Flavor and fragrance information catalog. <http://www.thegoodscentscompany.com/allprod.html> Accessed 15.10.23.
| dry |
- 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 | — Duke, James. 'Dr. Duke's Phytochemical and Ethnobotanical Databases. United States Department of Agriculture.' Agricultural Research Service, Accessed April 27 (2004). — Shinbo, Y., et al. 'KNApSAcK: a comprehensive species-metabolite relationship database.' Plant Metabolomics. Springer Berlin Heidelberg, 2006. 165-181.
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