Record Information |
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Version | 1.0 |
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Created at | 2021-01-06 05:05:42 UTC |
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Updated at | 2021-07-15 17:31:26 UTC |
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NP-MRD ID | NP0019610 |
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Secondary Accession Numbers | None |
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Natural Product Identification |
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Common Name | Strepantibin C |
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Provided By | NPAtlas |
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Description | Strepantibin C is found in Streptomyces sp. It was first documented in 2019 (PMID: 31013087). Based on a literature review very few articles have been published on CHEMBL4435293. |
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Structure | [H]OC1=C(C(=O)C([H])([H])[H])C(=O)C(C2=C([H])C([H])=C([H])C([H])=C2[H])=C(OC([H])([H])[H])C([H])=C1C1=C([H])C([H])=C([H])C([H])=C1[H] InChI=1S/C22H18O4/c1-14(23)19-21(24)17(15-9-5-3-6-10-15)13-18(26-2)20(22(19)25)16-11-7-4-8-12-16/h3-13,24H,1-2H3 |
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Synonyms | Not Available |
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Chemical Formula | C22H18O4 |
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Average Mass | 346.3820 Da |
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Monoisotopic Mass | 346.12051 Da |
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IUPAC Name | 2-acetyl-3-hydroxy-6-methoxy-4,7-diphenylcyclohepta-2,4,6-trien-1-one |
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Traditional Name | 2-acetyl-3-hydroxy-6-methoxy-4,7-diphenylcyclohepta-2,4,6-trien-1-one |
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CAS Registry Number | Not Available |
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SMILES | COC1=C(C2=CC=CC=C2)C(=O)C(C(C)=O)=C(O)C(=C1)C1=CC=CC=C1 |
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InChI Identifier | InChI=1S/C22H18O4/c1-14(23)19-21(24)17(15-9-5-3-6-10-15)13-18(26-2)20(22(19)25)16-11-7-4-8-12-16/h3-13,24H,1-2H3 |
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InChI Key | CUOXCUWYCBQGCZ-UHFFFAOYSA-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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