Record Information |
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Version | 1.0 |
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Created at | 2020-12-09 04:13:18 UTC |
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Updated at | 2021-07-15 16:57:29 UTC |
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NP-MRD ID | NP0007401 |
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Secondary Accession Numbers | None |
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Natural Product Identification |
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Common Name | Benhamycin |
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Provided By | NPAtlas |
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Description | Benhamycin is found in Streptomyces sp. It was first documented in 2007 (PMID: 17987502). Based on a literature review very few articles have been published on 8,14-dimethoxy-11-methylquinolino[3,4-b]acridine-6,7-diol. |
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Structure | [H]OC1=C2C(OC([H])([H])[H])=C3C([H])=C([H])C(=C([H])C3=NC2=C(OC([H])([H])[H])C2=C1C(=O)N([H])C1=C([H])C([H])=C([H])C([H])=C21)C([H])([H])[H] InChI=1S/C23H18N2O4/c1-11-8-9-13-15(10-11)24-19-18(21(13)28-2)20(26)17-16(22(19)29-3)12-6-4-5-7-14(12)25-23(17)27/h4-10,26H,1-3H3,(H,25,27) |
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Synonyms | Not Available |
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Chemical Formula | C23H18N2O4 |
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Average Mass | 386.4070 Da |
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Monoisotopic Mass | 386.12666 Da |
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IUPAC Name | 13-hydroxy-2,15-dimethoxy-19-methyl-10,22-diazapentacyclo[12.8.0.0^{3,12}.0^{4,9}.0^{16,21}]docosa-1,3(12),4,6,8,13,15,17,19,21-decaen-11-one |
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Traditional Name | 13-hydroxy-2,15-dimethoxy-19-methyl-10,22-diazapentacyclo[12.8.0.0^{3,12}.0^{4,9}.0^{16,21}]docosa-1,3(12),4,6,8,13,15,17,19,21-decaen-11-one |
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CAS Registry Number | Not Available |
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SMILES | COC1=C2C(O)=C3C(=O)NC4=CC=CC=C4C3=C(OC)C2=NC2=C1C=CC(C)=C2 |
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InChI Identifier | InChI=1S/C23H18N2O4/c1-11-8-9-13-15(10-11)24-19-18(21(13)28-2)20(26)17-16(22(19)29-3)12-6-4-5-7-14(12)25-23(17)27/h4-10,26H,1-3H3,(H,25,27) |
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InChI Key | AFFNBCRLIXERJL-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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