| Record Information |
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| Version | 2.0 |
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| Created at | 2025-04-12 01:45:15 UTC |
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| Updated at | 2025-06-11 05:37:13 UTC |
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| NP-MRD ID | NP0350940 |
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| Natural Product DOI | https://doi.org/10.57994/3925 |
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| Secondary Accession Numbers | None |
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| Natural Product Identification |
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| Common Name | Lyciumine A |
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| Description | Based on a literature review very few articles have been published on Lyciumine A. |
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| Structure | [H]C(=O)C1=CC=C(C[C@@]23C[C@H](N4[C@@H]2N(C2=CC=CC=C32)C(=O)CC4=O)C(=O)OC)N1 InChI=1S/C21H19N3O5/c1-29-19(28)16-10-21(9-12-6-7-13(11-25)22-12)14-4-2-3-5-15(14)23-17(26)8-18(27)24(16)20(21)23/h2-7,11,16,20,22H,8-10H2,1H3/t16-,20-,21-/m0/s1 |
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| Synonyms | Not Available |
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| Chemical Formula | C21H19N3O5 |
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| Average Mass | 393.3990 Da |
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| Monoisotopic Mass | 393.13247 Da |
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| IUPAC Name | methyl (8R,10S,15R)-8-[(5-formyl-1H-pyrrol-2-yl)methyl]-12,14-dioxo-1,11-diazatetracyclo[6.6.1.0^{2,7}.0^{11,15}]pentadeca-2,4,6-triene-10-carboxylate |
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| Traditional Name | methyl (8R,10S,15R)-8-[(5-formyl-1H-pyrrol-2-yl)methyl]-12,14-dioxo-1,11-diazatetracyclo[6.6.1.0^{2,7}.0^{11,15}]pentadeca-2,4,6-triene-10-carboxylate |
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| CAS Registry Number | Not Available |
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| SMILES | [H]C(=O)C1=CC=C(C[C@@]23C[C@H](N4[C@@H]2N(C2=CC=CC=C32)C(=O)CC4=O)C(=O)OC)N1 |
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| InChI Identifier | InChI=1S/C21H19N3O5/c1-29-19(28)16-10-21(9-12-6-7-13(11-25)22-12)14-4-2-3-5-15(14)23-17(26)8-18(27)24(16)20(21)23/h2-7,11,16,20,22H,8-10H2,1H3/t16-,20-,21-/m0/s1 |
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| InChI Key | LKARKOQSAMZYGI-NDXORKPFSA-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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| NOESY NMR | [1H, 1H] NMR Spectrum (2D, 500 MHz, CD3OD, experimental) | dongdong.wang@nih.gov | NCI-Frederick | Dong Wang | 2025-04-12 | View Spectrum | | HMBC NMR | [1H, 13C] NMR Spectrum (2D, 500 MHz, CD3OD, experimental) | dongdong.wang@nih.gov | NCI-Frederick | Dong Wang | 2025-04-12 | View Spectrum | | HSQC NMR | [1H, 13C] NMR Spectrum (2D, 500 MHz, CD3OD, experimental) | dongdong.wang@nih.gov | NCI-Frederick | Dong Wang | 2025-04-12 | View Spectrum | | COSY NMR | [1H, 1H] NMR Spectrum (2D, 500 MHz, CD3OD, experimental) | dongdong.wang@nih.gov | NCI-Frederick | Dong Wang | 2025-04-12 | View Spectrum | | 1D_DEPT NMR | 13C NMR Spectrum (1D, 126 MHz, CD3OD, experimental) | dongdong.wang@nih.gov | NCI-Frederick | Dong Wang | 2025-04-12 | View Spectrum | | 1D NMR | 13C NMR Spectrum (1D, 126 MHz, CD3OD, experimental) | dongdong.wang@nih.gov | NCI-Frederick | Dong Wang | 2025-04-12 | View Spectrum | | 1D NMR | 1H NMR Spectrum (1D, 500 MHz, CD3OD, experimental) | dongdong.wang@nih.gov | NCI-Frederick | Dong Wang | 2025-04-12 | View Spectrum | | NOESY NMR | [1H, 1H] NMR Spectrum (2D, 600 MHz, CD3CN, experimental) | dongdong.wang@nih.gov | NCI-Frederick | Dong Wang | 2025-04-12 | View Spectrum | | HMBC NMR | [1H, 15N] NMR Spectrum (2D, 600 MHz, CD3CN, experimental) | dongdong.wang@nih.gov | NCI-Frederick | Dong Wang | 2025-04-12 | View Spectrum | | HMBC NMR | [1H, 13C] NMR Spectrum (2D, 600 MHz, CD3CN, experimental) | dongdong.wang@nih.gov | NCI-Frederick | Dong Wang | 2025-04-12 | View Spectrum | | HSQC NMR | [1H, 15N] NMR Spectrum (2D, 600 MHz, CD3CN, experimental) | dongdong.wang@nih.gov | NCI-Frederick | Dong Wang | 2025-04-12 | View Spectrum | | COSY NMR | [1H, 1H] NMR Spectrum (2D, 600 MHz, CD3CN, experimental) | dongdong.wang@nih.gov | NCI-Frederick | Dong Wang | 2025-04-12 | View Spectrum | | HSQC NMR | [1H, 13C] NMR Spectrum (2D, 600 MHz, CD3CN, experimental) | dongdong.wang@nih.gov | NCI-Frederick | Dong Wang | 2025-04-12 | View Spectrum | | 1D NMR | 13C NMR Spectrum (1D, 151 MHz, CD3CN, experimental) | dongdong.wang@nih.gov | NCI-Frederick | Dong Wang | 2025-04-12 | View Spectrum | | 1D NMR | 1H NMR Spectrum (1D, 600 MHz, CD3CN, experimental) | dongdong.wang@nih.gov | NCI-Frederick | Dong Wang | 2025-04-12 | View Spectrum | | NOESY NMR | [1H, 1H] NMR Spectrum (2D, 500 MHz, C2D6OS, experimental) | dongdong.wang@nih.gov | NCI-Frederick | Dong Wang | 2025-04-12 | View Spectrum | | HMBC NMR | [1H, 13C] NMR Spectrum (2D, 500 MHz, C2D6OS, experimental) | dongdong.wang@nih.gov | NCI-Frederick | Dong Wang | 2025-04-12 | View Spectrum | | HSQC NMR | [1H, 13C] NMR Spectrum (2D, 500 MHz, C2D6OS, experimental) | dongdong.wang@nih.gov | NCI-Frederick | Dong Wang | 2025-04-12 | View Spectrum | | COSY NMR | [1H, 1H] NMR Spectrum (2D, 500 MHz, C2D6OS, experimental) | dongdong.wang@nih.gov | NCI-Frederick | Dong Wang | 2025-04-12 | View Spectrum | | 1D_DEPT NMR | 13C NMR Spectrum (1D, 126 MHz, C2D6OS, experimental) | dongdong.wang@nih.gov | NCI-Frederick | Dong Wang | 2025-04-12 | View Spectrum | | 1D NMR | 13C NMR Spectrum (1D, 126 MHz, C2D6OS, experimental) | dongdong.wang@nih.gov | NCI-Frederick | Dong Wang | 2025-04-12 | View Spectrum | | 1D NMR | 1H NMR Spectrum (1D, 500 MHz, C2D6OS, experimental) | dongdong.wang@nih.gov | NCI-Frederick | Dong Wang | 2025-04-12 | View Spectrum |
| | Predicted Spectra |
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| | Spectrum Type | Description | Depositor ID | Depositor Organization | Depositor | Deposition Date | View |
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| | 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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| 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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