Record Information |
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Version | 1.0 |
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Created at | 2021-01-05 23:29:59 UTC |
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Updated at | 2021-07-15 17:16:53 UTC |
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NP-MRD ID | NP0014286 |
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Secondary Accession Numbers | None |
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Natural Product Identification |
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Common Name | Suncheonoside A |
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Provided By | NPAtlas |
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Description | Suncheonoside A is found in Streptomyces sp. It was first documented in 2015 (PMID: 26078114). Based on a literature review very few articles have been published on [4-hydroxy-3,5-dimethyl-2-(propan-2-yl)-6-{[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxy}phenyl](methylsulfanyl)methanone (PMID: 34340252) (PMID: 34337505) (PMID: 34369645) (PMID: 34364329). |
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Structure | [H]OC1=C(C(O[C@]2([H])O[C@@]([H])(C([H])([H])[H])[C@]([H])(O[H])[C@@]([H])(O[H])[C@@]2([H])O[H])=C(C(=O)SC([H])([H])[H])C(=C1C([H])([H])[H])C([H])(C([H])([H])[H])C([H])([H])[H])C([H])([H])[H] InChI=1S/C19H28O7S/c1-7(2)11-8(3)13(20)9(4)17(12(11)18(24)27-6)26-19-16(23)15(22)14(21)10(5)25-19/h7,10,14-16,19-23H,1-6H3/t10-,14-,15+,16+,19-/m0/s1 |
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Synonyms | Value | Source |
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[4-Hydroxy-3,5-dimethyl-2-(propan-2-yl)-6-{[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxy}phenyl](methylsulphanyl)methanone | Generator |
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Chemical Formula | C19H28O7S |
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Average Mass | 400.4900 Da |
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Monoisotopic Mass | 400.15557 Da |
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IUPAC Name | [4-hydroxy-3,5-dimethyl-2-(propan-2-yl)-6-{[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxy}phenyl](methylsulfanyl)methanone |
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Traditional Name | (4-hydroxy-2-isopropyl-3,5-dimethyl-6-{[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxy}phenyl)(methylsulfanyl)methanone |
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CAS Registry Number | Not Available |
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SMILES | CSC(=O)C1=C(C(C)C)C(C)=C(O)C(C)=C1O[C@@H]1O[C@@H](C)[C@H](O)[C@@H](O)[C@H]1O |
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InChI Identifier | InChI=1S/C19H28O7S/c1-7(2)11-8(3)13(20)9(4)17(12(11)18(24)27-6)26-19-16(23)15(22)14(21)10(5)25-19/h7,10,14-16,19-23H,1-6H3/t10-,14-,15+,16+,19-/m0/s1 |
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InChI Key | JPPAKLKWLNRDOZ-KWYAYSQOSA-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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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 | - Shin B, Ahn S, Noh M, Shin J, Oh DC: Suncheonosides A-D, Benzothioate Glycosides from a Marine-Derived Streptomyces sp. J Nat Prod. 2015 Jun 26;78(6):1390-6. doi: 10.1021/acs.jnatprod.5b00284. Epub 2015 Jun 16. [PubMed:26078114 ]
- Liu W, Xue F, Poon MC, Chen L, Jin Z, Zhang L, Yang R: Current status of haemophilia inhibitor management in mainland China: a haemophilia treatment centres survey on treatment preferences and real-world clinical practices. Br J Haematol. 2021 Aug 2. doi: 10.1111/bjh.17677. [PubMed:34340252 ]
- Moller T, Engedal MS, Plum LM, Aasvang EK: Reduced Need for Urinary Bladder Catheterization in the Postanesthesia Care Unit After Implementation of an Evidence-based Protocol: A Prospective Cohort Comparison Study. Eur Urol Open Sci. 2021 Feb 16;26:27-34. doi: 10.1016/j.euros.2021.01.013. eCollection 2021 Apr. [PubMed:34337505 ]
- Ji K, Alharbi KN, Solana-Madruga E, Moyo GT, Ritter C, Attfield JP: Double double to double perovskite transformations in ternary manganese oxides. Angew Chem Int Ed Engl. 2021 Aug 9. doi: 10.1002/anie.202108586. [PubMed:34369645 ]
- Patanen M, Abid AR, Pratt ST, Kivimaki A, Trofimov AB, Skitnevskaya AD, Grigoricheva EK, Gromov EV, Powis I, Holland DMP: Valence shell photoelectron angular distributions and vibrationally resolved spectra of imidazole: A combined experimental-theoretical study. J Chem Phys. 2021 Aug 7;155(5):054304. doi: 10.1063/5.0058983. [PubMed:34364329 ]
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