Record Information |
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Version | 2.0 |
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Created at | 2020-11-23 19:41:27 UTC |
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Updated at | 2021-08-12 19:52:15 UTC |
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NP-MRD ID | NP0002828 |
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Secondary Accession Numbers | None |
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Natural Product Identification |
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Common Name | (S)-(-)-Perillaldehyde |
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Provided By | BMRB |
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Description | (S)-(-)-Perillaldehyde is found in Ambrosia trifida, Citrus reticulata , Plectranthus scutellarioides, Dittrichia graveolens , Perilla arguta , Perilla frutescens, Rhodiola rosea L. , Siler trilobum and Sium latifolium . Based on a literature review very few articles have been published on (4S)-4-(prop-1-en-2-yl)cyclohex-1-ene-1-carbaldehyde. |
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Structure | InChI=1S/C10H14O/c1-8(2)10-5-3-9(7-11)4-6-10/h3,7,10H,1,4-6H2,2H3/t10-/m1/s1 |
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Synonyms | Value | Source |
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S(-)-Perillaldehyde | ChEMBL |
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Chemical Formula | C10H14O |
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Average Mass | 150.2210 Da |
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Monoisotopic Mass | 150.10447 Da |
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IUPAC Name | (4S)-4-(prop-1-en-2-yl)cyclohex-1-ene-1-carbaldehyde |
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Traditional Name | (4S)-4-(prop-1-en-2-yl)cyclohex-1-ene-1-carbaldehyde |
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CAS Registry Number | Not Available |
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SMILES | CC(=C)[C@H]1CCC(C=O)=CC1 |
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InChI Identifier | InChI=1S/C10H14O/c1-8(2)10-5-3-9(7-11)4-6-10/h3,7,10H,1,4-6H2,2H3/t10-/m1/s1 |
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InChI Key | RUMOYJJNUMEFDD-SNVBAGLBSA-N |
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Experimental Spectra |
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| Spectrum Type | Description | Depositor Email | Depositor Organization | Depositor | Deposition Date | View |
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1D NMR | 1H NMR Spectrum (1D, 400 MHz, CDCl3, simulated) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | 1D NMR | 13C NMR Spectrum (1D, 400 MHz, CDCl3, simulated) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | 1D NMR | 13C NMR Spectrum (1D, 400 MHz, CDCl3, experimental) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum |
| Predicted Spectra |
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| Not Available | Chemical Shift Submissions |
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| Not Available | Species |
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Species of Origin | |
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Chemical Taxonomy |
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Description | This compound 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
- Organic oxide
- Hydrocarbon derivative
- Organooxygen compound
- Carbonyl group
- Aldehyde
- Aliphatic homomonocyclic compound
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Molecular Framework | Aliphatic homomonocyclic compounds |
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External Descriptors | |
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Physical Properties |
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State | Not Available |
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Experimental 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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Predicted Properties | |
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