Record Information |
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Version | 1.0 |
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Created at | 2022-09-09 22:00:02 UTC |
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Updated at | 2022-09-09 22:00:02 UTC |
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NP-MRD ID | NP0291049 |
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Secondary Accession Numbers | None |
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Natural Product Identification |
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Common Name | (2e,4r)-4,10-dihydroxydec-2-enoic acid |
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Description | (2E,4R)-4,10-dihydroxydec-2-enoic acid belongs to the class of organic compounds known as medium-chain hydroxy acids and derivatives. These are hydroxy acids with a 6 to 12 carbon atoms long side chain. (2e,4r)-4,10-dihydroxydec-2-enoic acid is found in Apis mellifera. It was first documented in 2016 (PMID: 30088877). Based on a literature review a significant number of articles have been published on (2E,4R)-4,10-dihydroxydec-2-enoic acid (PMID: 33146025) (PMID: 30274345) (PMID: 34798838) (PMID: 30044536). |
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Structure | OCCCCCC[C@@H](O)\C=C\C(O)=O InChI=1S/C10H18O4/c11-8-4-2-1-3-5-9(12)6-7-10(13)14/h6-7,9,11-12H,1-5,8H2,(H,13,14)/b7-6+/t9-/m1/s1 |
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Synonyms | Value | Source |
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(2E,4R)-4,10-Dihydroxydec-2-enoate | Generator |
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Chemical Formula | C10H18O4 |
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Average Mass | 202.2500 Da |
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Monoisotopic Mass | 202.12051 Da |
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IUPAC Name | (2E,4R)-4,10-dihydroxydec-2-enoic acid |
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Traditional Name | (2E,4R)-4,10-dihydroxydec-2-enoic acid |
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CAS Registry Number | Not Available |
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SMILES | OCCCCCC[C@@H](O)\C=C\C(O)=O |
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InChI Identifier | InChI=1S/C10H18O4/c11-8-4-2-1-3-5-9(12)6-7-10(13)14/h6-7,9,11-12H,1-5,8H2,(H,13,14)/b7-6+/t9-/m1/s1 |
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InChI Key | OAKQXDBQNMCTKD-XCODYQFDSA-N |
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Experimental Spectra |
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| Not Available | Predicted Spectra |
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| Spectrum Type | Description | Depositor ID | Depositor Organization | Depositor | Deposition Date | View |
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1D NMR | 13C NMR Spectrum (1D, 25 MHz, H2O, predicted) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | 1D NMR | 1H NMR Spectrum (1D, 100 MHz, H2O, predicted) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | 1D NMR | 13C NMR Spectrum (1D, 252 MHz, H2O, predicted) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | 1D NMR | 1H NMR Spectrum (1D, 1000 MHz, H2O, predicted) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | 1D NMR | 13C NMR Spectrum (1D, 50 MHz, H2O, predicted) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | 1D NMR | 1H NMR Spectrum (1D, 200 MHz, H2O, predicted) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | 1D NMR | 13C NMR Spectrum (1D, 75 MHz, H2O, predicted) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | 1D NMR | 1H NMR Spectrum (1D, 300 MHz, H2O, predicted) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | 1D NMR | 13C NMR Spectrum (1D, 101 MHz, H2O, predicted) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | 1D NMR | 1H NMR Spectrum (1D, 400 MHz, H2O, predicted) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | 1D NMR | 13C NMR Spectrum (1D, 126 MHz, H2O, predicted) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | 1D NMR | 1H NMR Spectrum (1D, 500 MHz, H2O, predicted) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | 1D NMR | 13C NMR Spectrum (1D, 151 MHz, H2O, predicted) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | 1D NMR | 1H NMR Spectrum (1D, 600 MHz, H2O, predicted) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | 1D NMR | 13C NMR Spectrum (1D, 176 MHz, H2O, predicted) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | 1D NMR | 1H NMR Spectrum (1D, 700 MHz, H2O, predicted) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | 1D NMR | 13C NMR Spectrum (1D, 201 MHz, H2O, predicted) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | 1D NMR | 1H NMR Spectrum (1D, 800 MHz, H2O, predicted) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | 1D NMR | 13C NMR Spectrum (1D, 226 MHz, H2O, predicted) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | 1D NMR | 1H NMR Spectrum (1D, 900 MHz, H2O, predicted) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum |
| 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 | Belongs to the class of organic compounds known as medium-chain hydroxy acids and derivatives. These are hydroxy acids with a 6 to 12 carbon atoms long side chain. |
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Kingdom | Organic compounds |
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Super Class | Organic acids and derivatives |
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Class | Hydroxy acids and derivatives |
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Sub Class | Medium-chain hydroxy acids and derivatives |
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Direct Parent | Medium-chain hydroxy acids and derivatives |
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Alternative Parents | |
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Substituents | - Medium-chain hydroxy acid
- Medium-chain fatty acid
- Hydroxy fatty acid
- Fatty acyl
- Fatty acid
- Unsaturated fatty acid
- Secondary alcohol
- Carboxylic acid derivative
- Carboxylic acid
- Monocarboxylic acid or derivatives
- Carbonyl group
- Organic oxide
- Organic oxygen compound
- Alcohol
- Organooxygen compound
- Primary alcohol
- Hydrocarbon derivative
- Aliphatic acyclic compound
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Molecular Framework | Aliphatic acyclic compounds |
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External Descriptors | Not Available |
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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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General References | - Peng C, Yang ZD: [Chemical Constituents of An Endophytic Fungus from Tripterygium wilfordii and Their Monoamine Oxidase Inhibitory Activity} Zhong Yao Cai. 2016 Mar;39(3):540-3. [PubMed:30088877 ]
- Liu SZ, Tang XX, He FM, Jia JX, Hu H, Xie BY, Li MY, Qiu YK: Two new compounds from a mangrove sediment-derived fungus Penicillium polonicum H175. Nat Prod Res. 2020 Nov 4:1-9. doi: 10.1080/14786419.2020.1837811. [PubMed:33146025 ]
- Sui J, Wang C, Liu X, Fang N, Liu Y, Wang W, Yan N, Zhang HB, Du Y, Liu X, Lu T, Zhang Z, Zhang H: Formation of alpha- and beta-Cembratriene-Diols in Tobacco (Nicotiana tabacum L.) Is Regulated by Jasmonate-Signaling Components via Manipulating Multiple Cembranoid Synthetic Genes. Molecules. 2018 Sep 30;23(10). pii: molecules23102511. doi: 10.3390/molecules23102511. [PubMed:30274345 ]
- Khattak SU, Lutfullah G, Iqbal Z, Ahmad J, Rehman IU, Shi Y, Ikram S: Aspergillus flavus originated pure compound as a potential antibacterial. BMC Microbiol. 2021 Nov 20;21(1):322. doi: 10.1186/s12866-021-02371-3. [PubMed:34798838 ]
- Bian L, Cao S, Cheng L, Nakazaki A, Nishikawa T, Qi J: Semi-synthesis and Structure-Activity Relationship of Neuritogenic Oleanene Derivatives. ChemMedChem. 2018 Sep 19;13(18):1972-1977. doi: 10.1002/cmdc.201800352. Epub 2018 Aug 16. [PubMed:30044536 ]
- LOTUS database [Link]
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