Record Information |
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Version | 1.0 |
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Created at | 2022-12-23 00:24:59 UTC |
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Updated at | 2024-04-19 09:38:19 UTC |
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NP-MRD ID | NP0331349 |
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Secondary Accession Numbers | None |
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Natural Product Identification |
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Common Name | 1,4-Dimethyl-3(E), 6(Z)-dibenzylidenepiperazine-2,5-dione |
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Description | It was first documented in 2023 (PMID: 37149843). Based on a literature review a significant number of articles have been published on (3Z,6E)-1,4-dimethyl-3,6-bis(phenylmethylidene)piperazine-2,5-dione (PMID: 37149842) (PMID: 37149841) (PMID: 37149840) (PMID: 37149839). |
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Structure | [H]\C(C1=CC=CC=C1)=C1/N(C)C(=O)\C(=C\C2=CC=CC=C2)N(C)C1=O InChI=1S/C20H18N2O2/c1-21-17(13-15-9-5-3-6-10-15)20(24)22(2)18(19(21)23)14-16-11-7-4-8-12-16/h3-14H,1-2H3/b17-13-,18-14+ |
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Synonyms | Not Available |
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Chemical Formula | C20H18N2O2 |
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Average Mass | 318.3760 Da |
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Monoisotopic Mass | 318.13683 Da |
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IUPAC Name | Not Available |
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Traditional Name | Not Available |
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CAS Registry Number | Not Available |
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SMILES | [H]\C(C1=CC=CC=C1)=C1/N(C)C(=O)\C(=C\C2=CC=CC=C2)N(C)C1=O |
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InChI Identifier | InChI=1S/C20H18N2O2/c1-21-17(13-15-9-5-3-6-10-15)20(24)22(2)18(19(21)23)14-16-11-7-4-8-12-16/h3-14H,1-2H3/b17-13-,18-14+ |
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InChI Key | WFIPKWCWCOEGSY-SIJTWYJSSA-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 | [13C, ] NMR Spectrum (2D, 101 MHz, CDCl3, experimental) | wenhuiling1984_whl@163.com | Not Available | Not Available | 2022-12-23 | View Spectrum | 1D NMR | [13C, ] NMR Spectrum (2D, 101 MHz, CDCl3, experimental) | wenhuiling1984_whl@163.com | Not Available | Not Available | 2022-12-23 | View Spectrum | 1D NMR | [1H, ] NMR Spectrum (2D, 400 MHz, CDCl3, experimental) | wenhuiling1984_whl@163.com | Not Available | Not Available | 2022-12-23 | View Spectrum | 1D NMR | 1H NMR Spectrum (1D, 400.18 MHz, CDCl3, simulated) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | 1D NMR | 13C NMR Spectrum (1D, 100.64 MHz, CDCl3, simulated) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | 1D NMR | 13C NMR Spectrum (1D, 100.63 MHz, CDCl3, simulated) | 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 | Not Available |
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Chemical Taxonomy |
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Classification | Not classified |
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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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External Links |
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HMDB ID | Not Available |
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DrugBank ID | Not Available |
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Phenol Explorer Compound ID | Not Available |
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FoodDB ID | Not Available |
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KNApSAcK ID | Not Available |
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Chemspider ID | 95694379 |
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KEGG Compound ID | Not Available |
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BioCyc ID | Not Available |
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BiGG ID | Not Available |
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Wikipedia Link | Not Available |
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METLIN ID | Not Available |
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PubChem Compound | 13401352 |
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PDB ID | Not Available |
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ChEBI ID | Not Available |
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Good Scents ID | Not Available |
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References |
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General References | - Elshatlawy M, Sampson J, Clarke K, Bayliss R: EML4-ALK biology and drug resistance in non-small cell lung cancer: a new phase of discoveries. Mol Oncol. 2023 Jun;17(6):950-963. doi: 10.1002/1878-0261.13446. Epub 2023 May 15. [PubMed:37149843 ]
- Mihos CG, Escolar E, Fernandez R: Right ventricular hypertrophy in apical hypertrophic cardiomyopathy. Echocardiography. 2023 Jun;40(6):515-523. doi: 10.1111/echo.15588. Epub 2023 May 7. [PubMed:37149842 ]
- Ergul E, Emlek N, Yilmaz AS, Ozturk M, Aydin C, Durak H, Cetin M: Non-alcoholic faty liver disease and liver fibrosis score have an independent relationship with the presence of mitral annular calcification. Int J Cardiovasc Imaging. 2023 Aug;39(8):1431-1436. doi: 10.1007/s10554-023-02858-2. Epub 2023 May 7. [PubMed:37149841 ]
- Ben-Joya D, Kaplan A, Baruch G, Rothschild E, Beer G, Banai S, Topilsky Y, Kapusta L, Laufer-Perl M: The prevalence of abnormal right ventricle speckle strain in the setting of acute myocarditis and preserved left ventricle function. Int J Cardiovasc Imaging. 2023 Jul;39(7):1231-1238. doi: 10.1007/s10554-023-02829-7. Epub 2023 May 7. [PubMed:37149840 ]
- Campens L, Wang X, Montarello NJ, He J, Kofoed KF, Chen M, Sondergaard L, De Backer O: Anatomical mapping of the membranous septum in tricuspid and bicuspid aortic valves by cardiac computed tomography. Int J Cardiovasc Imaging. 2023 Aug;39(8):1557-1559. doi: 10.1007/s10554-023-02850-w. Epub 2023 May 7. [PubMed:37149839 ]
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