Record Information |
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Version | 1.0 |
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Creation date | 2010-04-08 22:10:56 UTC |
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Update date | 2019-11-26 03:09:10 UTC |
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Primary ID | FDB013849 |
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Secondary Accession Numbers | Not Available |
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Chemical Information |
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FooDB Name | (S)-9,10-Cyclo-p-menth-1-en-4-ol |
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Description | (S)-9,10-Cyclo-p-menth-1-en-4-ol belongs to the class of organic compounds known as tertiary alcohols. Tertiary alcohols are compounds in which a hydroxy group, -OH, is attached to a saturated carbon atom R3COH (R not H ) (S)-9,10-Cyclo-p-menth-1-en-4-ol has been detected, but not quantified in, nuts and pistachios (Pistacia vera). This could make (S)-9,10-cyclo-p-menth-1-en-4-ol a potential biomarker for the consumption of these foods. Based on a literature review very few articles have been published on (S)-9,10-Cyclo-p-menth-1-en-4-ol. |
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CAS Number | 83133-20-4 |
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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 | 1-cyclopropyl-4-methylcyclohex-3-en-1-ol |
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InChI Identifier | InChI=1S/C10H16O/c1-8-4-6-10(11,7-5-8)9-2-3-9/h4,9,11H,2-3,5-7H2,1H3 |
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InChI Key | FTEUSHRMTWTVTP-UHFFFAOYSA-N |
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Isomeric SMILES | CC1=CCC(O)(CC1)C1CC1 |
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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 tertiary alcohols. Tertiary alcohols are compounds in which a hydroxy group, -OH, is attached to a saturated carbon atom R3COH (R not H ). |
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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 | Alcohols and polyols |
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Direct Parent | Tertiary alcohols |
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Alternative Parents | |
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Substituents | - Tertiary alcohol
- 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 | Route of exposure: Source: Biological location: |
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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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Predicted GC-MS | (S)-9,10-Cyclo-p-menth-1-en-4-ol, non-derivatized, Predicted GC-MS Spectrum - 70eV, Positive | splash10-00ko-9300000000-8e2bc4279686f7c0a8ee | Spectrum | Predicted GC-MS | (S)-9,10-Cyclo-p-menth-1-en-4-ol, 1 TMS, Predicted GC-MS Spectrum - 70eV, Positive | splash10-0adu-9620000000-2990aee96b2ef038a5ce | Spectrum | Predicted GC-MS | (S)-9,10-Cyclo-p-menth-1-en-4-ol, non-derivatized, Predicted GC-MS Spectrum - 70eV, Positive | Not Available | Spectrum | Predicted GC-MS | (S)-9,10-Cyclo-p-menth-1-en-4-ol, 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 | splash10-0f79-0900000000-947d06b60bc521ad2709 | 2016-08-01 | View Spectrum | Predicted MS/MS | Predicted LC-MS/MS Spectrum - 20V, Positive | splash10-0f79-6900000000-73bc9022f9b7481de9f9 | 2016-08-01 | View Spectrum | Predicted MS/MS | Predicted LC-MS/MS Spectrum - 40V, Positive | splash10-0lec-9100000000-6690f439797b013e5f04 | 2016-08-01 | View Spectrum | Predicted MS/MS | Predicted LC-MS/MS Spectrum - 10V, Negative | splash10-0udi-0900000000-f4d281f202563d3f3cf1 | 2016-08-03 | View Spectrum | Predicted MS/MS | Predicted LC-MS/MS Spectrum - 20V, Negative | splash10-0udi-2900000000-8a47ce2b598628dbd2d1 | 2016-08-03 | View Spectrum | Predicted MS/MS | Predicted LC-MS/MS Spectrum - 40V, Negative | splash10-0006-9300000000-78ff9d93e31b107cde78 | 2016-08-03 | View Spectrum | Predicted MS/MS | Predicted LC-MS/MS Spectrum - 10V, Positive | splash10-0uds-6900000000-5a70c733ca768cc87fa7 | 2021-09-22 | View Spectrum | Predicted MS/MS | Predicted LC-MS/MS Spectrum - 20V, Positive | splash10-0002-9200000000-04eb2a0f15c99cebcec5 | 2021-09-22 | View Spectrum | Predicted MS/MS | Predicted LC-MS/MS Spectrum - 40V, Positive | splash10-0006-9000000000-c0fc474a97c93f8be7d6 | 2021-09-22 | View Spectrum | Predicted MS/MS | Predicted LC-MS/MS Spectrum - 10V, Negative | splash10-0udi-0900000000-c373c9eea3cebf186f53 | 2021-09-23 | View Spectrum | Predicted MS/MS | Predicted LC-MS/MS Spectrum - 20V, Negative | splash10-0udi-0900000000-ce1ad17fe4f8c7ad918a | 2021-09-23 | View Spectrum | Predicted MS/MS | Predicted LC-MS/MS Spectrum - 40V, Negative | splash10-0006-9400000000-cafdfa060ab7aae2c1c4 | 2021-09-23 | View Spectrum |
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NMR | Not Available |
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External Links |
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ChemSpider ID | Not Available |
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ChEMBL ID | Not Available |
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KEGG Compound ID | Not Available |
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Pubchem Compound ID | Not Available |
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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 | HMDB35203 |
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CRC / DFC (Dictionary of Food Compounds) ID | JSW26-G:JHX07-H |
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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 | C00010810 |
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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 | — Shinbo, Y., et al. 'KNApSAcK: a comprehensive species-metabolite relationship database.' Plant Metabolomics. Springer Berlin Heidelberg, 2006. 165-181.
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