| Record Information |
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| Version | 2.0 |
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| Created at | 2025-08-25 01:45:21 UTC |
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| Updated at | 2025-10-08 03:35:45 UTC |
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| NP-MRD ID | NP0351481 |
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| Natural Product DOI | https://doi.org/10.57994/4528 |
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| Secondary Accession Numbers | None |
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| Natural Product Identification |
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| Common Name | Luxocinnamycin C_re |
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| Description | Based on a literature review very few articles have been published on Luxocinnamycin C_re. |
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| Structure | CC(O)C(NC(=O)C(CO)NC(=O)\C=C\C1=C(C)C=CC=C1)C(=O)NC(CC1=CC=CC=C1)C(O)=O InChI=1/C26H31N3O7/c1-16-8-6-7-11-19(16)12-13-22(32)27-21(15-30)24(33)29-23(17(2)31)25(34)28-20(26(35)36)14-18-9-4-3-5-10-18/h3-13,17,20-21,23,30-31H,14-15H2,1-2H3,(H,27,32)(H,28,34)(H,29,33)(H,35,36)/b13-12+ |
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| Synonyms | Not Available |
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| Chemical Formula | C26H31N3O7 |
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| Average Mass | 497.5480 Da |
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| Monoisotopic Mass | 497.21620 Da |
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| IUPAC Name | 2-(3-hydroxy-2-{3-hydroxy-2-[(2E)-3-(2-methylphenyl)prop-2-enamido]propanamido}butanamido)-3-phenylpropanoic acid |
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| Traditional Name | 2-(3-hydroxy-2-{3-hydroxy-2-[(2E)-3-(2-methylphenyl)prop-2-enamido]propanamido}butanamido)-3-phenylpropanoic acid |
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| CAS Registry Number | Not Available |
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| SMILES | CC(O)C(NC(=O)C(CO)NC(=O)\C=C\C1=C(C)C=CC=C1)C(=O)NC(CC1=CC=CC=C1)C(O)=O |
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| InChI Identifier | InChI=1/C26H31N3O7/c1-16-8-6-7-11-19(16)12-13-22(32)27-21(15-30)24(33)29-23(17(2)31)25(34)28-20(26(35)36)14-18-9-4-3-5-10-18/h3-13,17,20-21,23,30-31H,14-15H2,1-2H3,(H,27,32)(H,28,34)(H,29,33)(H,35,36)/b13-12+ |
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| InChI Key | PSZHTSKZNWWTAQ-OUKQBFOZNA-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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| HSQC NMR | [1H, 15N] NMR Spectrum (2D, 800 MHz, C2D6OS, experimental) | Not Available | Natural Products Research Institute, College of Pharmacy, Seoul National University | Sangwook Kang | 2025-08-25 | View Spectrum | | HMBC NMR | [1H, 13C] NMR Spectrum (2D, 800 MHz, C2D6OS, experimental) | Not Available | Natural Products Research Institute, College of Pharmacy, Seoul National University | Sangwook Kang | 2025-08-25 | View Spectrum | | HSQC NMR | [1H, 13C] NMR Spectrum (2D, 800 MHz, C2D6OS, experimental) | Not Available | Natural Products Research Institute, College of Pharmacy, Seoul National University | Sangwook Kang | 2025-08-25 | View Spectrum | | HSQC NMR | [1H, 15N] NMR Spectrum (2D, 800 MHz, C2D6OS, experimental) | Not Available | Natural Products Research Institute, College of Pharmacy, Seoul National University | Sangwook Kang | 2025-08-25 | View Spectrum | | TOCSY NMR | [1H, 1H] NMR Spectrum (2D, 800 MHz, C2D6OS, experimental) | Not Available | Natural Products Research Institute, College of Pharmacy, Seoul National University | Sangwook Kang | 2025-08-25 | View Spectrum | | ROESY NMR | [1H, 1H] NMR Spectrum (2D, 800 MHz, C2D6OS, experimental) | Not Available | Natural Products Research Institute, College of Pharmacy, Seoul National University | Sangwook Kang | 2025-08-25 | View Spectrum | | COSY NMR | [1H, 1H] NMR Spectrum (2D, 800 MHz, C2D6OS, experimental) | Not Available | Natural Products Research Institute, College of Pharmacy, Seoul National University | Sangwook Kang | 2025-08-25 | View Spectrum | | 1D NMR | 1H NMR Spectrum (1D, 800 MHz, C2D6OS, experimental) | Not Available | Natural Products Research Institute, College of Pharmacy, Seoul National University | Sangwook Kang | 2025-08-25 | View Spectrum | | 1D NMR | 13C NMR Spectrum (1D, 201 MHz, C2D6OS, experimental) | Not Available | Natural Products Research Institute, College of Pharmacy, Seoul National University | Sangwook Kang | 2025-08-25 | 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 | | Species Name | Source | Reference |
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| Streptomyces spp NPDC021753, OID7 and TW1S1 | | |
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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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