Record Information |
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Version | 1.0 |
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Created at | 2020-12-09 00:44:40 UTC |
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Updated at | 2021-07-15 16:46:37 UTC |
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NP-MRD ID | NP0003520 |
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Secondary Accession Numbers | None |
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Natural Product Identification |
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Common Name | Dictyopanine B |
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Provided By | NPAtlas |
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Description | Dictyopanine B is found in Dictyopanus and Dictyopanus sp. HKI 0181. It was first documented in 2000 (PMID: 11079807). Based on a literature review very few articles have been published on (1R,4S,7R,7aS)-4-{[(2E,4E)-4,6-dimethylocta-2,4-dienoyl]oxy}-7a-methyl-1-(2-methylidene-3-oxopropyl)-2-oxo-2,4,5,6,7,7a-hexahydro-1H-indene-7-carboxylic acid (PMID: 34380192) (PMID: 34380191) (PMID: 34380190) (PMID: 34380189). |
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Structure | [H]OC(=O)[C@]1([H])C([H])([H])C([H])([H])[C@]([H])(OC(=O)C(\[H])=C(/[H])\C(=C(/[H])[C@]([H])(C([H])([H])[H])C([H])([H])C([H])([H])[H])\C([H])([H])[H])C2=C([H])C(=O)[C@]([H])(C([H])([H])C(=C([H])[H])C([H])=O)[C@@]12C([H])([H])[H] InChI=1S/C25H32O6/c1-6-15(2)11-16(3)7-10-23(28)31-22-9-8-18(24(29)30)25(5)19(12-17(4)14-26)21(27)13-20(22)25/h7,10-11,13-15,18-19,22H,4,6,8-9,12H2,1-3,5H3,(H,29,30)/b10-7+,16-11+/t15-,18+,19+,22+,25-/m1/s1 |
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Synonyms | Value | Source |
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(1R,4S,7R,7AS)-4-{[(2E,4E)-4,6-dimethylocta-2,4-dienoyl]oxy}-7a-methyl-1-(2-methylidene-3-oxopropyl)-2-oxo-2,4,5,6,7,7a-hexahydro-1H-indene-7-carboxylate | Generator |
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Chemical Formula | C25H32O6 |
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Average Mass | 428.5250 Da |
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Monoisotopic Mass | 428.21989 Da |
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IUPAC Name | (1R,4S,7R,7aS)-4-{[(2E,4E,6R)-4,6-dimethylocta-2,4-dienoyl]oxy}-7a-methyl-1-(2-methylidene-3-oxopropyl)-2-oxo-2,4,5,6,7,7a-hexahydro-1H-indene-7-carboxylic acid |
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Traditional Name | (3R,3aS,4R,7S)-7-{[(2E,4E,6R)-4,6-dimethylocta-2,4-dienoyl]oxy}-3a-methyl-3-(2-methylidene-3-oxopropyl)-2-oxo-4,5,6,7-tetrahydro-3H-indene-4-carboxylic acid |
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CAS Registry Number | Not Available |
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SMILES | CCC(C)\C=C(/C)\C=C\C(=O)O[C@H]1CC[C@@H](C(O)=O)[C@]2(C)[C@@H](CC(=C)C=O)C(=O)C=C12 |
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InChI Identifier | InChI=1S/C25H32O6/c1-6-15(2)11-16(3)7-10-23(28)31-22-9-8-18(24(29)30)25(5)19(12-17(4)14-26)21(27)13-20(22)25/h7,10-11,13-15,18-19,22H,4,6,8-9,12H2,1-3,5H3,(H,29,30)/b10-7+,16-11+/t15?,18-,19-,22-,25+/m0/s1 |
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InChI Key | AFLWRLGQCCNPSX-BCTZGLOJSA-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 | - Dorfelt H, Schlegel B, Grafe U: Dictyopanines A, B and C, new bicyclic sesquiterpene esters from Dictyopanus sp. HKI 0181. J Antibiot (Tokyo). 2000 Aug;53(8):839-43. doi: 10.7164/antibiotics.53.839. [PubMed:11079807 ]
- Kim S, Park KY, Chung J, Kim YB, Lee JW, Huh SK: Comparative Analysis of Feasibility of the Retrograde Suction Decompression Technique for Microsurgical Treatment of Large and Giant Internal Carotid Artery Aneurysms. J Korean Neurosurg Soc. 2021 Aug 12. pii: jkns.2021.0066. doi: 10.3340/jkns.2021.0066. [PubMed:34380192 ]
- Bahloul M, Kharrat S, Chtara K, Hafdhi M, Turki O, Baccouche N, Ammar R, Kallel N, Hsairi M, Chakroun-Walha O, Hamida CB, Chelly H, Mahfoudh KB, Karoui A, Karray H, Rekik N, Bouaziz M: Clinical characteristics and outcomes of critically ill COVID-19 patients in Sfax, Tunisia. Acute Crit Care. 2021 Aug 12. pii: acc.2021.00129. doi: 10.4266/acc.2021.00129. [PubMed:34380191 ]
- Yi J, Kim KH: Identification and infection control of carbapenem-resistant Enterobacterales in intensive care units. Acute Crit Care. 2021 Aug 12. pii: acc.2021.00409. doi: 10.4266/acc.2021.00409. [PubMed:34380190 ]
- Lee Y, Kim SH, Hwang HY, Sohn SH, Choi JW, Kim KH: Perfusion parameters during cardiopulmonary bypass as a predictor of acute kidney injury after aortic valve replacement. Acute Crit Care. 2021 Aug 12. pii: acc.2021.00094. doi: 10.4266/acc.2021.00094. [PubMed:34380189 ]
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