Record Information |
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Version | 1.0 |
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Creation date | 2010-04-08 22:11:12 UTC |
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Update date | 2019-11-26 03:09:51 UTC |
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Primary ID | FDB014327 |
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Secondary Accession Numbers | Not Available |
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Chemical Information |
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FooDB Name | (+)-cis-Carveol |
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Description | (+)-cis-Carveol, also known as (1S,5S)-carveol, belongs to the class of organic compounds known as menthane monoterpenoids. These are monoterpenoids with a structure based on the o-, m-, or p-menthane backbone. P-menthane consists of the cyclohexane ring with a methyl group and a (2-methyl)-propyl group at the 1 and 4 ring position, respectively. The o- and m- menthanes are much rarer, and presumably arise by alkyl migration of p-menthanes. Based on a literature review a significant number of articles have been published on (+)-cis-Carveol. |
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CAS Number | 7632-16-8 |
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Structure | |
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Synonyms | |
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Predicted Properties | |
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Chemical Formula | C10H16O |
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IUPAC name | (1S,5S)-2-methyl-5-(prop-1-en-2-yl)cyclohex-2-en-1-ol |
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InChI Identifier | InChI=1S/C10H16O/c1-7(2)9-5-4-8(3)10(11)6-9/h4,9-11H,1,5-6H2,2-3H3/t9-,10-/m0/s1 |
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InChI Key | BAVONGHXFVOKBV-UWVGGRQHSA-N |
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Isomeric SMILES | CC(=C)[C@H]1CC=C(C)[C@@H](O)C1 |
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Average Molecular Weight | 152.2334 |
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Monoisotopic Molecular Weight | 152.120115134 |
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Classification |
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Description | Belongs to the class of organic compounds known as menthane monoterpenoids. These are monoterpenoids with a structure based on the o-, m-, or p-menthane backbone. P-menthane consists of the cyclohexane ring with a methyl group and a (2-methyl)-propyl group at the 1 and 4 ring position, respectively. The o- and m- menthanes are much rarer, and presumably arise by alkyl migration of p-menthanes. |
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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 | Monoterpenoids |
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Direct Parent | Menthane monoterpenoids |
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Alternative Parents | |
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Substituents | - P-menthane monoterpenoid
- Monocyclic monoterpenoid
- Secondary alcohol
- Organic oxygen compound
- Hydrocarbon derivative
- Organooxygen compound
- Alcohol
- Aliphatic homomonocyclic compound
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Molecular Framework | Aliphatic homomonocyclic compounds |
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External Descriptors | |
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Ontology |
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Disposition | Route of exposure: Biological location: Source: |
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Process | Naturally occurring process: |
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Role | Industrial application: 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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GC-MS | (+)-cis-Carveol, non-derivatized, GC-MS Spectrum | splash10-001i-9200000000-d4716ca54826ec99b28b | Spectrum | GC-MS | (+)-cis-Carveol, non-derivatized, GC-MS Spectrum | splash10-001i-9200000000-d4716ca54826ec99b28b | Spectrum | Predicted GC-MS | (+)-cis-Carveol, non-derivatized, Predicted GC-MS Spectrum - 70eV, Positive | splash10-0040-9300000000-900d20824e13ff7b371a | Spectrum | Predicted GC-MS | (+)-cis-Carveol, 1 TMS, Predicted GC-MS Spectrum - 70eV, Positive | splash10-059l-9420000000-c8fe9a59dae7a88e5d86 | Spectrum | Predicted GC-MS | (+)-cis-Carveol, 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 | splash10-0f79-1900000000-6cbdaa00e43b6a5f1466 | 2016-08-01 | View Spectrum | Predicted MS/MS | Predicted LC-MS/MS Spectrum - 20V, Positive | splash10-0f79-7900000000-f5a0579ac8857d525d07 | 2016-08-01 | View Spectrum | Predicted MS/MS | Predicted LC-MS/MS Spectrum - 40V, Positive | splash10-1000-9200000000-7631d4c31e9b10b2e57b | 2016-08-01 | View Spectrum | Predicted MS/MS | Predicted LC-MS/MS Spectrum - 10V, Negative | splash10-0udi-0900000000-6165a03d2d9c9e84c43f | 2016-08-03 | View Spectrum | Predicted MS/MS | Predicted LC-MS/MS Spectrum - 20V, Negative | splash10-0udi-0900000000-fb53bb25a46fab88d48a | 2016-08-03 | View Spectrum | Predicted MS/MS | Predicted LC-MS/MS Spectrum - 40V, Negative | splash10-0f79-6900000000-985654b955f212c9dee9 | 2016-08-03 | View Spectrum | Predicted MS/MS | Predicted LC-MS/MS Spectrum - 10V, Positive | splash10-000l-7900000000-14152f364bee2002ab86 | 2021-09-24 | View Spectrum | Predicted MS/MS | Predicted LC-MS/MS Spectrum - 20V, Positive | splash10-002f-9100000000-c417dcb5d6ff023a5c44 | 2021-09-24 | View Spectrum | Predicted MS/MS | Predicted LC-MS/MS Spectrum - 40V, Positive | splash10-0006-9000000000-33b66b0d611b3c8dca5f | 2021-09-24 | View Spectrum | Predicted MS/MS | Predicted LC-MS/MS Spectrum - 10V, Negative | splash10-0udi-0900000000-c751b1e6b18ebbd8226b | 2021-09-24 | View Spectrum | Predicted MS/MS | Predicted LC-MS/MS Spectrum - 20V, Negative | splash10-0ue9-0900000000-ff7b348d24f4a9fae768 | 2021-09-24 | View Spectrum | Predicted MS/MS | Predicted LC-MS/MS Spectrum - 40V, Negative | splash10-0159-5900000000-32379e3babd1cfac9d58 | 2021-09-24 | View Spectrum |
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NMR | Not Available |
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External Links |
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ChemSpider ID | 391449 |
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ChEMBL ID | Not Available |
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KEGG Compound ID | C11408 |
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Pubchem Compound ID | 443177 |
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Pubchem Substance ID | Not Available |
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ChEBI ID | 232 |
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Phenol-Explorer ID | Not Available |
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DrugBank ID | Not Available |
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HMDB ID | HMDB35622 |
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CRC / DFC (Dictionary of Food Compounds) ID | JXJ97-Y:JPP54-J |
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EAFUS ID | Not Available |
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Dr. Duke ID | (+)-CIS-CARVEOL |
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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 | 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 | 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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