Record Information |
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Version | 1.0 |
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Created at | 2022-06-29 19:18:50 UTC |
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Updated at | 2022-06-29 19:18:50 UTC |
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NP-MRD ID | NP0138825 |
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Secondary Accession Numbers | None |
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Natural Product Identification |
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Common Name | Liensinine perchlorate |
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Description | Liensinine Perchlorate belongs to the class of organic compounds known as benzylisoquinolines. These are organic compounds containing an isoquinoline to which a benzyl group is attached. It was first documented in 1993 (PMID: 35862567). Based on a literature review a significant number of articles have been published on Liensinine Perchlorate (PMID: 35863886) (PMID: 35863885) (PMID: 35863884) (PMID: 35863883) (PMID: 30207364) (PMID: 35863882). |
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Structure | O[Cl](=O)(=O)=O.COC1=C(OC)C=C2[C@@H](CC3=CC(OC4=C(OC)C=C5CCN(C)[C@H](CC6=CC=C(O)C=C6)C5=C4)=C(O)C=C3)N(C)CCC2=C1 InChI=1S/C37H42N2O6.ClHO4/c1-38-14-13-26-20-35(43-4)37(22-29(26)30(38)16-23-6-9-27(40)10-7-23)45-33-18-24(8-11-32(33)41)17-31-28-21-36(44-5)34(42-3)19-25(28)12-15-39(31)2;2-1(3,4)5/h6-11,18-22,30-31,40-41H,12-17H2,1-5H3;(H,2,3,4,5)/t30-,31-;/m1./s1 |
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Synonyms | Value | Source |
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Liensinine perchloric acid | Generator |
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Chemical Formula | C37H43ClN2O10 |
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Average Mass | 711.2100 Da |
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Monoisotopic Mass | 710.26062 Da |
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IUPAC Name | Not Available |
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Traditional Name | Not Available |
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CAS Registry Number | 2385-63-9 |
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SMILES | O[Cl](=O)(=O)=O.COC1=C(OC)C=C2[C@@H](CC3=CC(OC4=C(OC)C=C5CCN(C)[C@H](CC6=CC=C(O)C=C6)C5=C4)=C(O)C=C3)N(C)CCC2=C1 |
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InChI Identifier | InChI=1S/C37H42N2O6.ClHO4/c1-38-14-13-26-20-35(43-4)37(22-29(26)30(38)16-23-6-9-27(40)10-7-23)45-33-18-24(8-11-32(33)41)17-31-28-21-36(44-5)34(42-3)19-25(28)12-15-39(31)2;2-1(3,4)5/h6-11,18-22,30-31,40-41H,12-17H2,1-5H3;(H,2,3,4,5)/t30-,31-;/m1./s1 |
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InChI Key | SBJXHMBOBQYZFA-XBPPRYKJSA-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 | Not Available |
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Chemical Taxonomy |
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Description | Belongs to the class of organic compounds known as benzylisoquinolines. These are organic compounds containing an isoquinoline to which a benzyl group is attached. |
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Kingdom | Organic compounds |
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Super Class | Organoheterocyclic compounds |
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Class | Isoquinolines and derivatives |
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Sub Class | Benzylisoquinolines |
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Direct Parent | Benzylisoquinolines |
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Alternative Parents | |
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Substituents | - Benzylisoquinoline
- Diaryl ether
- Tetrahydroisoquinoline
- Phenoxy compound
- Phenol ether
- Anisole
- 1-hydroxy-2-unsubstituted benzenoid
- Aralkylamine
- Phenol
- Alkyl aryl ether
- Benzenoid
- Organic perchlorate
- Monocyclic benzene moiety
- Tertiary aliphatic amine
- Tertiary amine
- Organic chlorate
- Azacycle
- Ether
- Organic nitrogen compound
- Organic oxygen compound
- Organopnictogen compound
- Organic oxide
- Hydrocarbon derivative
- Organooxygen compound
- Organonitrogen compound
- Amine
- Aromatic heteropolycyclic compound
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Molecular Framework | Aromatic heteropolycyclic 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 | - Morales Corado JA, Lee CU, Enns GM: Carnitine-Acylcarnitine Translocase Deficiency. 1993. [PubMed:35862567 ]
- Kaorop W, Maneechote C, Kumfu S, Chattipakorn SC, Chattipakorn N: Mitochondrial-derived peptides as a novel intervention for obesity and cardiac diseases: bench evidence for potential bedside application. J Clin Pathol. 2022 Jul 21. pii: jcp-2022-208321. doi: 10.1136/jcp-2022-208321. [PubMed:35863886 ]
- Zheng T, Zheng S, Wang K, Quan H, Bai Q, Li S, Qi R, Zhao Y, Cui X, Gao X: Automatic CD30 scoring method for whole slide images of primary cutaneous CD30(+) lymphoproliferative diseases. J Clin Pathol. 2022 Jul 21. pii: jcp-2022-208344. doi: 10.1136/jcp-2022-208344. [PubMed:35863885 ]
- Humphreys H, Burke L, O'Connell K, Keogan M: Answering Ireland's call: pathology during the COVID-19 pandemic. J Clin Pathol. 2022 Nov;75(11):721-723. doi: 10.1136/jclinpath-2022-208323. Epub 2022 Jul 21. [PubMed:35863884 ]
- Albin C, Berkowitz AL: Engaging teaching strategies in neurology: the flipped classroom and simulation training. Pract Neurol. 2022 Jul 21. pii: pn-2022-003371. doi: 10.1136/pn-2022-003371. [PubMed:35863883 ]
- Wang Y, Li YJ, Huang XH, Zheng CC, Yin XF, Li B, He QY: Liensinine perchlorate inhibits colorectal cancer tumorigenesis by inducing mitochondrial dysfunction and apoptosis. Food Funct. 2018 Nov 14;9(11):5536-5546. doi: 10.1039/c8fo01137k. [PubMed:30207364 ]
- Walters J: Weakness in the intensive care unit. Pract Neurol. 2022 Jul 21:pn-2022-003422. doi: 10.1136/pn-2022-003422. [PubMed:35863882 ]
- Reardon K, McKelvie P: Eosinophilic myositis: could it be an adult-onset dystrophy? Pract Neurol. 2022 Jul 21:pn-2022-003448. doi: 10.1136/pn-2022-003448. [PubMed:35863881 ]
- El Mahdaoui S, Isenberg AL, Hansen K, Langkilde AR, Hamann S, Romme Christensen J: Acute posterior multifocal placoid pigment epitheliopathy resembling multiple sclerosis. Pract Neurol. 2022 Jul 21:practneurol-2022-003463. doi: 10.1136/pn-2022-003463. [PubMed:35863880 ]
- Cauchi M, Willis M, Andrews A, Backx M, Brownlee W, Ford HL, Gran B, Jolles S, Price S, Rashid W, Schmierer K, Tallantyre EC: Multiple sclerosis and the risk of infection: Association of British Neurologists consensus guideline. Pract Neurol. 2022 Jul 21:practneurol-2022-003370. doi: 10.1136/practneurol-2022-003370. [PubMed:35863879 ]
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