Record Information |
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Version | 1.0 |
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Created at | 2022-09-12 16:19:33 UTC |
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Updated at | 2022-09-12 16:19:33 UTC |
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NP-MRD ID | NP0330711 |
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Secondary Accession Numbers | None |
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Natural Product Identification |
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Common Name | [(1e,3r,4r,6r,7z,9z)-3-(2-aminoethyl)-1-[(2s,3s)-3-ethyl-6-oxo-2,3-dihydropyran-2-yl]-3,6-dihydroxy-10-[(1r,3s)-3-{[(6s)-6-methyloctanoyl]oxy}cyclohexyl]deca-1,7,9-trien-4-yl]oxyphosphonic acid |
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Description | Leustroducsin B, also known as LSN b, belongs to the class of organic compounds known as dihydropyranones. Dihydropyranones are compounds containing a hydrogenated pyran ring which bears a ketone, and contains one double bond. [(1e,3r,4r,6r,7z,9z)-3-(2-aminoethyl)-1-[(2s,3s)-3-ethyl-6-oxo-2,3-dihydropyran-2-yl]-3,6-dihydroxy-10-[(1r,3s)-3-{[(6s)-6-methyloctanoyl]oxy}cyclohexyl]deca-1,7,9-trien-4-yl]oxyphosphonic acid is found in Streptomyces platensis. It was first documented in 2003 (PMID: 12670216). Based on a literature review a small amount of articles have been published on Leustroducsin B (PMID: 26313159) (PMID: 21591684) (PMID: 21087044) (PMID: 18549287). |
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Structure | CC[C@H](C)CCCCC(=O)O[C@H]1CCC[C@H](C1)\C=C/C=C\[C@H](O)C[C@@H](OP(O)(O)=O)[C@@](O)(CCN)\C=C\[C@@H]1OC(=O)C=C[C@@H]1CC InChI=1S/C34H56NO10P/c1-4-25(3)11-6-9-16-32(37)43-29-15-10-13-26(23-29)12-7-8-14-28(36)24-31(45-46(40,41)42)34(39,21-22-35)20-19-30-27(5-2)17-18-33(38)44-30/h7-8,12,14,17-20,25-31,36,39H,4-6,9-11,13,15-16,21-24,35H2,1-3H3,(H2,40,41,42)/b12-7-,14-8-,20-19+/t25-,26+,27-,28-,29-,30-,31+,34-/m0/s1 |
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Synonyms | |
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Chemical Formula | C34H56NO10P |
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Average Mass | 669.7930 Da |
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Monoisotopic Mass | 669.36418 Da |
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IUPAC Name | {[(1E,3R,4R,6R,7Z,9Z)-3-(2-aminoethyl)-1-[(2S,3S)-3-ethyl-6-oxo-3,6-dihydro-2H-pyran-2-yl]-3,6-dihydroxy-10-[(1R,3S)-3-{[(6S)-6-methyloctanoyl]oxy}cyclohexyl]deca-1,7,9-trien-4-yl]oxy}phosphonic acid |
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Traditional Name | [(1E,3R,4R,6R,7Z,9Z)-3-(2-aminoethyl)-1-[(2S,3S)-3-ethyl-6-oxo-2,3-dihydropyran-2-yl]-3,6-dihydroxy-10-[(1R,3S)-3-{[(6S)-6-methyloctanoyl]oxy}cyclohexyl]deca-1,7,9-trien-4-yl]oxyphosphonic acid |
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CAS Registry Number | Not Available |
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SMILES | CC[C@H](C)CCCCC(=O)O[C@H]1CCC[C@H](C1)\C=C/C=C\[C@H](O)C[C@@H](OP(O)(O)=O)[C@@](O)(CCN)\C=C\[C@@H]1OC(=O)C=C[C@@H]1CC |
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InChI Identifier | InChI=1S/C34H56NO10P/c1-4-25(3)11-6-9-16-32(37)43-29-15-10-13-26(23-29)12-7-8-14-28(36)24-31(45-46(40,41)42)34(39,21-22-35)20-19-30-27(5-2)17-18-33(38)44-30/h7-8,12,14,17-20,25-31,36,39H,4-6,9-11,13,15-16,21-24,35H2,1-3H3,(H2,40,41,42)/b12-7-,14-8-,20-19+/t25-,26+,27-,28-,29-,30-,31+,34-/m0/s1 |
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InChI Key | ZYSAHMPRXHPPAK-QNIAGQLOSA-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 | |
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Chemical Taxonomy |
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Description | Belongs to the class of organic compounds known as dihydropyranones. Dihydropyranones are compounds containing a hydrogenated pyran ring which bears a ketone, and contains one double bond. |
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Kingdom | Organic compounds |
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Super Class | Organoheterocyclic compounds |
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Class | Pyrans |
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Sub Class | Pyranones and derivatives |
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Direct Parent | Dihydropyranones |
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Alternative Parents | |
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Substituents | - Dihydropyranone
- Fatty acid ester
- Monoalkyl phosphate
- Dicarboxylic acid or derivatives
- Organic phosphoric acid derivative
- Fatty acyl
- Alkyl phosphate
- Phosphoric acid ester
- 1,3-aminoalcohol
- Alpha,beta-unsaturated carboxylic ester
- Enoate ester
- Tertiary alcohol
- Amino acid or derivatives
- Carboxylic acid ester
- Lactone
- Secondary alcohol
- Oxacycle
- Carboxylic acid derivative
- Primary aliphatic amine
- Hydrocarbon derivative
- Organic oxide
- Organic oxygen compound
- Alcohol
- Carbonyl group
- Organic nitrogen compound
- Organonitrogen compound
- Organooxygen compound
- Amine
- Primary amine
- Aliphatic heteromonocyclic compound
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Molecular Framework | Aliphatic heteromonocyclic 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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