Record Information |
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Version | 1.0 |
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Created at | 2022-04-28 23:31:46 UTC |
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Updated at | 2022-04-28 23:31:46 UTC |
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NP-MRD ID | NP0078451 |
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Secondary Accession Numbers | None |
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Natural Product Identification |
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Common Name | (+)-Eminensin B |
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Description | Eminensin B belongs to the class of organic compounds known as eudesmanolides, secoeudesmanolides, and derivatives. These are terpenoids with a structure based on the eudesmanolide (a 3,5a,9-trimethyl-naphtho[1,2-b]furan-2-one derivative) or secoeudesmanolide (a 3,6-dimethyl-5-(pentan-2-yl)-1-benzofuran-2-one derivative) skeleton. (+)-Eminensin B is found in Podachaenium eminens. It was first documented in 2022 (PMID: 35501039). Based on a literature review a significant number of articles have been published on Eminensin B (PMID: 35501034) (PMID: 35501031) (PMID: 35501030) (PMID: 35500994). |
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Structure | C[C@@]1(O)CCC[C@]2(C)CC[C@]3(O)[C@H](OC(=O)C3=C)[C@@H]12 InChI=1S/C15H22O4/c1-9-12(16)19-11-10-13(2,7-8-15(9,11)18)5-4-6-14(10,3)17/h10-11,17-18H,1,4-8H2,2-3H3/t10-,11-,13-,14-,15-/m1/s1 |
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Synonyms | Not Available |
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Chemical Formula | C15H22O4 |
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Average Mass | 266.3370 Da |
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Monoisotopic Mass | 266.15181 Da |
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IUPAC Name | (3aR,5aR,9R,9aS,9bR)-3a,9-dihydroxy-5a,9-dimethyl-3-methylidene-dodecahydronaphtho[1,2-b]furan-2-one |
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Traditional Name | (3aR,5aR,9R,9aS,9bR)-3a,9-dihydroxy-5a,9-dimethyl-3-methylidene-hexahydro-4H-naphtho[1,2-b]furan-2-one |
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CAS Registry Number | Not Available |
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SMILES | C[C@@]1(O)CCC[C@]2(C)CC[C@]3(O)[C@H](OC(=O)C3=C)[C@@H]12 |
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InChI Identifier | InChI=1S/C15H22O4/c1-9-12(16)19-11-10-13(2,7-8-15(9,11)18)5-4-6-14(10,3)17/h10-11,17-18H,1,4-8H2,2-3H3/t10-,11-,13-,14-,15-/m1/s1 |
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InChI Key | NZLXVTHNPSCQMS-OKNSCYNVSA-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 eudesmanolides, secoeudesmanolides, and derivatives. These are terpenoids with a structure based on the eudesmanolide (a 3,5a,9-trimethyl-naphtho[1,2-b]furan-2-one derivative) or secoeudesmanolide (a 3,6-dimethyl-5-(pentan-2-yl)-1-benzofuran-2-one derivative) skeleton. |
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Kingdom | Organic compounds |
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Super Class | Lipids and lipid-like molecules |
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Class | Prenol lipids |
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Sub Class | Terpene lactones |
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Direct Parent | Eudesmanolides, secoeudesmanolides, and derivatives |
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Alternative Parents | |
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Substituents | - Eudesmanolide
- Sesquiterpenoid
- Naphthofuran
- Gamma butyrolactone
- Cyclic alcohol
- Tertiary alcohol
- Tetrahydrofuran
- Enoate ester
- Alpha,beta-unsaturated carboxylic ester
- Lactone
- Carboxylic acid ester
- Oxacycle
- Monocarboxylic acid or derivatives
- Carboxylic acid derivative
- Organoheterocyclic compound
- Organooxygen compound
- Hydrocarbon derivative
- Organic oxide
- Organic oxygen compound
- Alcohol
- Carbonyl group
- 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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General References | - Tanaka A, Hebert AM, Smith-Washington A, Hoffstaetter T, Goldenberg R, Vemulapalli S, Del Rio-Sola L, Arnaoutakis GJ, Mussa F, Ota T: Knowledge gaps in surgical management for aortic dissection. Semin Vasc Surg. 2022 Mar;35(1):35-42. doi: 10.1053/j.semvascsurg.2022.02.009. Epub 2022 Feb 22. [PubMed:35501039 ]
- Pacheco-Tapia R, Vasquez-Ocmin P, Duthen S, Ortiz S, Jargeat P, Amasifuen C, Haddad M, Vansteelandt M: Chemical modulation of the metabolism of an endophytic fungal strain of Cophinforma mamane using epigenetic modifiers and amino-acids. Fungal Biol. 2022 May;126(5):385-394. doi: 10.1016/j.funbio.2022.02.005. Epub 2022 Mar 2. [PubMed:35501034 ]
- Gomez-Munoz B, Efthymiou A, Dubey M, Solve J, Nicolaisen M, Jensen DF, Nybroe O, Larsen J: Cellulose amendment promotes P solubilization by Penicillium aculeatum in non-sterilized soil. Fungal Biol. 2022 May;126(5):356-365. doi: 10.1016/j.funbio.2022.03.003. Epub 2022 Mar 23. [PubMed:35501031 ]
- Flor NC, Wright AF, Huguet-Tapia J, Harmon PF, Liberti D: Identification of Fungi in the Botryosphaeriaceae Family Associated with Stem Blight of Vaccinium spp. in the Southeastern United States. Fungal Biol. 2022 May;126(5):342-355. doi: 10.1016/j.funbio.2022.03.004. Epub 2022 Mar 28. [PubMed:35501030 ]
- Gupta R, Gehlot S, Gupta A: C-NMC: B-lineage acute lymphoblastic leukaemia: A blood cancer dataset. Med Eng Phys. 2022 May;103:103793. doi: 10.1016/j.medengphy.2022.103793. Epub 2022 Mar 26. [PubMed:35500994 ]
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