Record Information |
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Version | 2.0 |
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Created at | 2020-12-09 06:48:02 UTC |
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Updated at | 2021-07-15 17:03:10 UTC |
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NP-MRD ID | NP0009409 |
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Secondary Accession Numbers | None |
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Natural Product Identification |
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Common Name | Lucknolide A |
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Provided By | NPAtlas |
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Description | (1S,3S,4S,7R,10S,11S)-3,10-dihydroxy-10-(hydroxymethyl)-2,9-dioxatricyclo[5.3.1.0⁴,¹¹]Undec-5-en-8-one belongs to the class of organic compounds known as furopyrans. These are organic polycyclic compounds containing a furan ring fused to a pyran ring. Furan is a five-membered aromatic ring with four carbon atoms and one oxygen atom. Pyran a six-membered heterocyclic, non-aromatic ring, made up of five carbon atoms and one oxygen atom and containing two double bonds. Lucknolide A is found in Streptomyces sp. Lucknolide A was first documented in 2010 (PMID: 20704312). Based on a literature review very few articles have been published on (1S,3S,4S,7R,10S,11S)-3,10-dihydroxy-10-(hydroxymethyl)-2,9-dioxatricyclo[5.3.1.0⁴,¹¹]Undec-5-en-8-one. |
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Structure | [H]OC([H])([H])[C@]1(O[H])OC(=O)[C@]2([H])C([H])=C([H])[C@]3([H])[C@@]([H])(O[H])O[C@@]1([H])[C@]23[H] InChI=1S/C10H12O6/c11-3-10(14)7-6-4(8(12)15-7)1-2-5(6)9(13)16-10/h1-2,4-8,11-12,14H,3H2/t4-,5+,6-,7-,8-,10-/m0/s1 |
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Synonyms | Not Available |
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Chemical Formula | C10H12O6 |
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Average Mass | 228.2000 Da |
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Monoisotopic Mass | 228.06339 Da |
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IUPAC Name | (1S,3S,4S,7R,10S,11S)-3,10-dihydroxy-10-(hydroxymethyl)-2,9-dioxatricyclo[5.3.1.0^{4,11}]undec-5-en-8-one |
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Traditional Name | (1S,3S,4S,7R,10S,11S)-3,10-dihydroxy-10-(hydroxymethyl)-2,9-dioxatricyclo[5.3.1.0^{4,11}]undec-5-en-8-one |
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CAS Registry Number | Not Available |
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SMILES | OC[C@]1(O)OC(=O)[C@@H]2C=C[C@@H]3[C@@H](O)O[C@H]1[C@H]23 |
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InChI Identifier | InChI=1S/C10H12O6/c11-3-10(14)7-6-4(8(12)15-7)1-2-5(6)9(13)16-10/h1-2,4-8,11-12,14H,3H2/t4-,5+,6-,7-,8-,10-/m0/s1 |
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InChI Key | WFOADYFXGWWIRB-JXVPXHAGSA-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, D2O, predicted) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | 1D NMR | 1H NMR Spectrum (1D, 100 MHz, D2O, predicted) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | 1D NMR | 13C NMR Spectrum (1D, 252 MHz, D2O, predicted) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | 1D NMR | 1H NMR Spectrum (1D, 1000 MHz, D2O, predicted) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | 1D NMR | 13C NMR Spectrum (1D, 50 MHz, D2O, predicted) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | 1D NMR | 1H NMR Spectrum (1D, 200 MHz, D2O, predicted) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | 1D NMR | 13C NMR Spectrum (1D, 75 MHz, D2O, predicted) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | 1D NMR | 1H NMR Spectrum (1D, 300 MHz, D2O, predicted) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | 1D NMR | 13C NMR Spectrum (1D, 101 MHz, D2O, predicted) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | 1D NMR | 1H NMR Spectrum (1D, 400 MHz, D2O, predicted) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | 1D NMR | 13C NMR Spectrum (1D, 126 MHz, D2O, predicted) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | 1D NMR | 1H NMR Spectrum (1D, 500 MHz, D2O, predicted) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | 1D NMR | 13C NMR Spectrum (1D, 151 MHz, D2O, predicted) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | 1D NMR | 1H NMR Spectrum (1D, 600 MHz, D2O, predicted) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | 1D NMR | 13C NMR Spectrum (1D, 176 MHz, D2O, predicted) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | 1D NMR | 1H NMR Spectrum (1D, 700 MHz, D2O, predicted) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | 1D NMR | 13C NMR Spectrum (1D, 201 MHz, D2O, predicted) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | 1D NMR | 1H NMR Spectrum (1D, 800 MHz, D2O, predicted) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | 1D NMR | 13C NMR Spectrum (1D, 226 MHz, D2O, predicted) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | 1D NMR | 1H NMR Spectrum (1D, 900 MHz, D2O, 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 furopyrans. These are organic polycyclic compounds containing a furan ring fused to a pyran ring. Furan is a five-membered aromatic ring with four carbon atoms and one oxygen atom. Pyran a six-membered heterocyclic, non-aromatic ring, made up of five carbon atoms and one oxygen atom and containing two double bonds. |
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Kingdom | Organic compounds |
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Super Class | Organoheterocyclic compounds |
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Class | Furopyrans |
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Sub Class | Not Available |
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Direct Parent | Furopyrans |
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Alternative Parents | |
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Substituents | - Furopyran
- Delta valerolactone
- Delta_valerolactone
- Pyran
- Oxane
- Furan
- Oxolane
- Carboxylic acid ester
- Hemiacetal
- Lactone
- Oxacycle
- Carboxylic acid derivative
- Monocarboxylic acid or derivatives
- Carbonyl group
- Hydrocarbon derivative
- Organic oxide
- Organic oxygen compound
- Alcohol
- Organooxygen compound
- Primary alcohol
- Aliphatic heteropolycyclic compound
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Molecular Framework | Aliphatic 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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