Record Information |
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Version | 5.0 |
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Status | Expected but not Quantified |
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Creation Date | 2012-09-11 22:15:37 UTC |
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Update Date | 2023-02-21 17:25:32 UTC |
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HMDB ID | HMDB0037017 |
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Secondary Accession Numbers | |
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Metabolite Identification |
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Common Name | (R)-p-Mentha-1,8-dien-10-ol |
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Description | (R)-p-Mentha-1,8-dien-10-ol 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 small amount of articles have been published on (R)-p-Mentha-1,8-dien-10-ol. |
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Structure | InChI=1S/C10H16O/c1-8-3-5-10(6-4-8)9(2)7-11/h3,10-11H,2,4-7H2,1H3 |
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Synonyms | Value | Source |
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1,8-Menthadien-9-ol | HMDB | 1,8-P-Menthadien-10-ol | HMDB | 1,8-P-Menthadien-9-ol | HMDB | 1-Methyl-4-((hydroxymethyl)vinyl)-cyclohex-1-ene | HMDB | 4-Methyl-beta-methylene-3-cyclohexene-1-ethanol | HMDB | 4-Methyl-beta-methylenecyclohex-3-ene-1-ethanol | HMDB | Limonene-10-ol | HMDB | Menthadienol | HMDB | P-Menta-1,8-dien-10-ol | HMDB | P-Menth-1,8-dien-9-ol | HMDB | P-Mentha-1,8(10)dien-9-ol | HMDB | P-Mentha-1,8-dien-10-ol | HMDB | P-Mentha-1,8-dien-9-ol | HMDB | P-Mentha-1,8-diene-10-ol | HMDB | P-Menthadien-1,8-dien-9-ol | HMDB |
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Chemical Formula | C10H16O |
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Average Molecular Weight | 152.237 |
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Monoisotopic Molecular Weight | 152.120115135 |
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IUPAC Name | 2-(4-methylcyclohex-3-en-1-yl)prop-2-en-1-ol |
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Traditional Name | 2-(4-methylcyclohex-3-en-1-yl)prop-2-en-1-ol |
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CAS Registry Number | 3269-90-7 |
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SMILES | CC1=CCC(CC1)C(=C)CO |
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InChI Identifier | InChI=1S/C10H16O/c1-8-3-5-10(6-4-8)9(2)7-11/h3,10-11H,2,4-7H2,1H3 |
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InChI Key | UIMAEYMKYMNCGW-UHFFFAOYSA-N |
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Chemical Taxonomy |
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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
- Organic oxygen compound
- Hydrocarbon derivative
- Primary alcohol
- Organooxygen compound
- Alcohol
- 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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Physiological effect | Not Available |
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Disposition | Not Available |
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Process | Not Available |
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Role | Not Available |
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Physical Properties |
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State | Not Available |
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Experimental Molecular Properties | Property | Value | Reference |
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Melting Point | Not Available | Not Available | Boiling Point | Not Available | Not Available | Water Solubility | Not Available | Not Available | LogP | Not Available | Not Available |
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Experimental Chromatographic Properties | Not Available |
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Predicted Molecular Properties | |
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Predicted Chromatographic Properties | Predicted Collision Cross SectionsPredicted Kovats Retention IndicesUnderivatizedDerivatized |
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| GC-MS SpectraSpectrum Type | Description | Splash Key | Deposition Date | Source | View |
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Predicted GC-MS | Predicted GC-MS Spectrum - (R)-p-Mentha-1,8-dien-10-ol GC-MS (Non-derivatized) - 70eV, Positive | splash10-00kr-9400000000-10d7bb56a71d817a0a44 | 2017-07-27 | Wishart Lab | View Spectrum | Predicted GC-MS | Predicted GC-MS Spectrum - (R)-p-Mentha-1,8-dien-10-ol GC-MS (1 TMS) - 70eV, Positive | splash10-05g0-9320000000-051d43346e2f43287cef | 2017-10-06 | Wishart Lab | View Spectrum | Predicted GC-MS | Predicted GC-MS Spectrum - (R)-p-Mentha-1,8-dien-10-ol GC-MS (Non-derivatized) - 70eV, Positive | Not Available | 2021-10-12 | Wishart Lab | View Spectrum | Predicted GC-MS | Predicted GC-MS Spectrum - (R)-p-Mentha-1,8-dien-10-ol GC-MS (Non-derivatized) - 70eV, Positive | Not Available | 2021-10-12 | Wishart Lab | View Spectrum |
MS/MS SpectraSpectrum Type | Description | Splash Key | Deposition Date | Source | View |
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Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - (R)-p-Mentha-1,8-dien-10-ol 10V, Positive-QTOF | splash10-0udr-1900000000-3bbae5af847b65c9cbec | 2015-04-24 | Wishart Lab | View Spectrum | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - (R)-p-Mentha-1,8-dien-10-ol 20V, Positive-QTOF | splash10-000i-7900000000-551ca5764802cd1ace26 | 2015-04-24 | Wishart Lab | View Spectrum | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - (R)-p-Mentha-1,8-dien-10-ol 40V, Positive-QTOF | splash10-0uxr-9200000000-f2dc607a865ea4b76971 | 2015-04-24 | Wishart Lab | View Spectrum | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - (R)-p-Mentha-1,8-dien-10-ol 10V, Negative-QTOF | splash10-0udi-0900000000-f5e08fd05219f3787f7c | 2015-04-25 | Wishart Lab | View Spectrum | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - (R)-p-Mentha-1,8-dien-10-ol 20V, Negative-QTOF | splash10-0uk9-0900000000-8400575d268b25b0c254 | 2015-04-25 | Wishart Lab | View Spectrum | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - (R)-p-Mentha-1,8-dien-10-ol 40V, Negative-QTOF | splash10-05g0-8900000000-a1d665198dc2471da9e2 | 2015-04-25 | Wishart Lab | View Spectrum | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - (R)-p-Mentha-1,8-dien-10-ol 10V, Positive-QTOF | splash10-0ukm-9800000000-3c5de0e671fd87cebe9e | 2021-09-22 | Wishart Lab | View Spectrum | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - (R)-p-Mentha-1,8-dien-10-ol 20V, Positive-QTOF | splash10-0007-9100000000-3484f9c6c6357162c82f | 2021-09-22 | Wishart Lab | View Spectrum | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - (R)-p-Mentha-1,8-dien-10-ol 40V, Positive-QTOF | splash10-0006-9000000000-229ce96908908e33db5d | 2021-09-22 | Wishart Lab | View Spectrum | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - (R)-p-Mentha-1,8-dien-10-ol 10V, Negative-QTOF | splash10-0ff0-0900000000-59979d442d155db1bde6 | 2021-09-23 | Wishart Lab | View Spectrum | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - (R)-p-Mentha-1,8-dien-10-ol 20V, Negative-QTOF | splash10-00di-0900000000-d730aa0a4e04eb7b4ef3 | 2021-09-23 | Wishart Lab | View Spectrum | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - (R)-p-Mentha-1,8-dien-10-ol 40V, Negative-QTOF | splash10-014i-1900000000-91d37629e20269cd61e7 | 2021-09-23 | Wishart Lab | View Spectrum |
NMR SpectraSpectrum Type | Description | Deposition Date | Source | View |
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Predicted 1D NMR | 1H NMR Spectrum (1D, 100 MHz, D2O, predicted) | 2021-09-25 | Wishart Lab | View Spectrum | Predicted 1D NMR | 13C NMR Spectrum (1D, 100 MHz, D2O, predicted) | 2021-09-25 | Wishart Lab | View Spectrum | Predicted 1D NMR | 1H NMR Spectrum (1D, 1000 MHz, D2O, predicted) | 2021-09-25 | Wishart Lab | View Spectrum | Predicted 1D NMR | 13C NMR Spectrum (1D, 1000 MHz, D2O, predicted) | 2021-09-25 | Wishart Lab | View Spectrum | Predicted 1D NMR | 1H NMR Spectrum (1D, 200 MHz, D2O, predicted) | 2021-09-25 | Wishart Lab | View Spectrum | Predicted 1D NMR | 13C NMR Spectrum (1D, 200 MHz, D2O, predicted) | 2021-09-25 | Wishart Lab | View Spectrum | Predicted 1D NMR | 1H NMR Spectrum (1D, 300 MHz, D2O, predicted) | 2021-09-25 | Wishart Lab | View Spectrum | Predicted 1D NMR | 13C NMR Spectrum (1D, 300 MHz, D2O, predicted) | 2021-09-25 | Wishart Lab | View Spectrum | Predicted 1D NMR | 1H NMR Spectrum (1D, 400 MHz, D2O, predicted) | 2021-09-25 | Wishart Lab | View Spectrum | Predicted 1D NMR | 13C NMR Spectrum (1D, 400 MHz, D2O, predicted) | 2021-09-25 | Wishart Lab | View Spectrum | Predicted 1D NMR | 1H NMR Spectrum (1D, 500 MHz, D2O, predicted) | 2021-09-25 | Wishart Lab | View Spectrum | Predicted 1D NMR | 13C NMR Spectrum (1D, 500 MHz, D2O, predicted) | 2021-09-25 | Wishart Lab | View Spectrum | Predicted 1D NMR | 1H NMR Spectrum (1D, 600 MHz, D2O, predicted) | 2021-09-25 | Wishart Lab | View Spectrum | Predicted 1D NMR | 13C NMR Spectrum (1D, 600 MHz, D2O, predicted) | 2021-09-25 | Wishart Lab | View Spectrum | Predicted 1D NMR | 1H NMR Spectrum (1D, 700 MHz, D2O, predicted) | 2021-09-25 | Wishart Lab | View Spectrum | Predicted 1D NMR | 13C NMR Spectrum (1D, 700 MHz, D2O, predicted) | 2021-09-25 | Wishart Lab | View Spectrum | Predicted 1D NMR | 1H NMR Spectrum (1D, 800 MHz, D2O, predicted) | 2021-09-25 | Wishart Lab | View Spectrum | Predicted 1D NMR | 13C NMR Spectrum (1D, 800 MHz, D2O, predicted) | 2021-09-25 | Wishart Lab | View Spectrum | Predicted 1D NMR | 1H NMR Spectrum (1D, 900 MHz, D2O, predicted) | 2021-09-25 | Wishart Lab | View Spectrum | Predicted 1D NMR | 13C NMR Spectrum (1D, 900 MHz, D2O, predicted) | 2021-09-25 | Wishart Lab | View Spectrum |
IR SpectraSpectrum Type | Description | Deposition Date | Source | View |
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Predicted IR Spectrum | IR Ion Spectrum (Predicted IRIS Spectrum, Adduct: [M-H]-) | 2023-02-04 | FELIX lab | View Spectrum | Predicted IR Spectrum | IR Ion Spectrum (Predicted IRIS Spectrum, Adduct: [M+H]+) | 2023-02-04 | FELIX lab | View Spectrum | Predicted IR Spectrum | IR Ion Spectrum (Predicted IRIS Spectrum, Adduct: [M+Na]+) | 2023-02-04 | FELIX lab | View Spectrum |
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