Record Information |
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Version | 2.0 |
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Created at | 2022-06-29 19:22:48 UTC |
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Updated at | 2022-06-29 19:22:48 UTC |
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NP-MRD ID | NP0138910 |
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Secondary Accession Numbers | None |
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Natural Product Identification |
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Common Name | Carmichaenine A |
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Description | It was first documented in 2022 (PMID: 35839256). Based on a literature review a significant number of articles have been published on Carmichaenine A (PMID: 35836954) (PMID: 35788232) (PMID: 35785881) (PMID: 35781478). |
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Structure | CCN1C[C@]2(COC)CC[C@H](O)[C@@]34[C@@H]5C[C@H]6[C@H](O)[C@@H]5[C@@](C[C@@H]6OC)(OC(=O)C5=CC=CC=C5)[C@@H]([C@H](OC)[C@H]23)[C@@H]14 InChI=1S/C31H43NO7/c1-5-32-15-29(16-36-2)12-11-21(33)31-19-13-18-20(37-3)14-30(22(19)24(18)34,23(27(31)32)25(38-4)26(29)31)39-28(35)17-9-7-6-8-10-17/h6-10,18-27,33-34H,5,11-16H2,1-4H3/t18-,19-,20+,21+,22-,23+,24+,25+,26-,27-,29+,30-,31+/m1/s1 |
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Synonyms | Not Available |
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Chemical Formula | C31H43NO7 |
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Average Mass | 541.6850 Da |
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Monoisotopic Mass | 541.30395 Da |
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IUPAC Name | Not Available |
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Traditional Name | Not Available |
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CAS Registry Number | 2065228-59-1 |
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SMILES | CCN1C[C@]2(COC)CC[C@H](O)[C@@]34[C@@H]5C[C@H]6[C@H](O)[C@@H]5[C@@](C[C@@H]6OC)(OC(=O)C5=CC=CC=C5)[C@@H]([C@H](OC)[C@H]23)[C@@H]14 |
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InChI Identifier | InChI=1S/C31H43NO7/c1-5-32-15-29(16-36-2)12-11-21(33)31-19-13-18-20(37-3)14-30(22(19)24(18)34,23(27(31)32)25(38-4)26(29)31)39-28(35)17-9-7-6-8-10-17/h6-10,18-27,33-34H,5,11-16H2,1-4H3/t18-,19-,20+,21+,22-,23+,24+,25+,26-,27-,29+,30-,31+/m1/s1 |
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InChI Key | BKAIYZAGPZZPPF-GBLCJVDDSA-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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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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General References | - Cousergue C, Saloux E, Reboursiere E, Rocamora A, Milliez P, Normand H, Hodzic A: Age impacts left atrial functional remodeling in athletes. PLoS One. 2022 Jul 15;17(7):e0271628. doi: 10.1371/journal.pone.0271628. eCollection 2022. [PubMed:35839256 ]
- Liu M, Liu J, Wang W, Liu G, Jin X, Lei B: Longitudinal Photoreceptor Phenotype Observation and Therapeutic Evaluation of a Carbonic Anhydrase Inhibitor in a X-Linked Retinoschisis Mouse Model. Front Med (Lausanne). 2022 Jun 28;9:886947. doi: 10.3389/fmed.2022.886947. eCollection 2022. [PubMed:35836954 ]
- Chen X, Zheng SW, Wang XP, Wang HY: Ultrafast dynamics of spin relaxation in monolayer WSe2 and the WSe2/graphene heterojunction. Phys Chem Chem Phys. 2022 Jul 13;24(27):16538-16544. doi: 10.1039/d2cp02105f. [PubMed:35788232 ]
- Zorlu D, Boduroglu Y, Erturk A: Echocardiographic evaluation from a different perspective in asthmatic patients. Tuberk Toraks. 2022 Jun;70(2):166-178. doi: 10.5578/tt.20229807. [PubMed:35785881 ]
- Sun G, Han S, Zheng X, Song Y, Qin Y, Dawes R, Xie D, Zhang J, Guo H: Unimolecular dissociation dynamics of electronically excited HCO(A(2)A''): rotational control of nonadiabatic decay. Faraday Discuss. 2022 Oct 21;238(0):236-248. doi: 10.1039/d2fd00011c. [PubMed:35781478 ]
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