Record Information |
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Version | 2.0 |
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Created at | 2021-06-21 00:20:33 UTC |
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Updated at | 2021-06-30 00:18:02 UTC |
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NP-MRD ID | NP0042763 |
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Secondary Accession Numbers | None |
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Natural Product Identification |
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Common Name | bhimamycin I |
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Provided By | JEOL Database |
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Description | bhimamycin I is found in Streptomyces sp. AK 671. bhimamycin I was first documented in 2013 (Jetter, P., et al.). |
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Structure | [H]OC1=C2C(=O)C3=C(N4C(=C3C(=O)C2=C([H])C([H])=C1[H])[C@@]([H])(OC([H])([H])C4([H])[H])C([H])([H])[H])C([H])([H])[H] InChI=1S/C17H15NO4/c1-8-12-14(15-9(2)22-7-6-18(8)15)16(20)10-4-3-5-11(19)13(10)17(12)21/h3-5,9,19H,6-7H2,1-2H3/t9-/m0/s1 |
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Synonyms | Not Available |
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Chemical Formula | C17H15NO4 |
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Average Mass | 297.3100 Da |
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Monoisotopic Mass | 297.10011 Da |
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IUPAC Name | (12S)-4-hydroxy-12,17-dimethyl-13-oxa-16-azatetracyclo[8.7.0.0^{3,8}.0^{11,16}]heptadeca-1(17),3,5,7,10-pentaene-2,9-dione |
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Traditional Name | (12S)-4-hydroxy-12,17-dimethyl-13-oxa-16-azatetracyclo[8.7.0.0^{3,8}.0^{11,16}]heptadeca-1(17),3,5,7,10-pentaene-2,9-dione |
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CAS Registry Number | Not Available |
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SMILES | [H]OC1=C2C(=O)C3=C(N4C(=C3C(=O)C2=C([H])C([H])=C1[H])[C@@]([H])(OC([H])([H])C4([H])[H])C([H])([H])[H])C([H])([H])[H] |
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InChI Identifier | InChI=1S/C17H15NO4/c1-8-12-14(15-9(2)22-7-6-18(8)15)16(20)10-4-3-5-11(19)13(10)17(12)21/h3-5,9,19H,6-7H2,1-2H3/t9-/m0/s1 |
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InChI Key | IFJKMBWAOZHVFK-VIFPVBQESA-N |
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Experimental Spectra |
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| Spectrum Type | Description | Depositor Email | Depositor Organization | Depositor | Deposition Date | View |
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1D NMR | 13C NMR Spectrum (1D, 600 MHz, C5D5N, simulated) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | 1D NMR | 1H NMR Spectrum (1D, 600 MHz, C5D5N, simulated) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | 1D NMR | 13C NMR Spectrum (1D, 100 MHz, C5D5N, simulated) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | 1D NMR | 1H NMR Spectrum (1D, 100 MHz, C5D5N, simulated) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | 1D NMR | 13C NMR Spectrum (1D, 200 MHz, C5D5N, simulated) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | 1D NMR | 1H NMR Spectrum (1D, 200 MHz, C5D5N, simulated) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | 1D NMR | 13C NMR Spectrum (1D, 300 MHz, C5D5N, simulated) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | 1D NMR | 1H NMR Spectrum (1D, 300 MHz, C5D5N, simulated) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | 1D NMR | 13C NMR Spectrum (1D, 400 MHz, C5D5N, simulated) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | 1D NMR | 1H NMR Spectrum (1D, 400 MHz, C5D5N, simulated) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | 1D NMR | 13C NMR Spectrum (1D, 500 MHz, C5D5N, simulated) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | 1D NMR | 1H NMR Spectrum (1D, 500 MHz, C5D5N, simulated) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | 1D NMR | 13C NMR Spectrum (1D, 700 MHz, C5D5N, simulated) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | 1D NMR | 1H NMR Spectrum (1D, 700 MHz, C5D5N, simulated) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | 1D NMR | 13C NMR Spectrum (1D, 800 MHz, C5D5N, simulated) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | 1D NMR | 1H NMR Spectrum (1D, 800 MHz, C5D5N, simulated) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | 1D NMR | 13C NMR Spectrum (1D, 900 MHz, C5D5N, simulated) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | 1D NMR | 1H NMR Spectrum (1D, 900 MHz, C5D5N, simulated) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | 1D NMR | 13C NMR Spectrum (1D, 1000 MHz, C5D5N, simulated) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | 1D NMR | 1H NMR Spectrum (1D, 1000 MHz, C5D5N, simulated) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum |
| Predicted Spectra |
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| Not Available | Chemical Shift Submissions |
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| Not Available | Species |
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Species of Origin | Species Name | Source | Reference |
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Streptomyces sp. AK 671 | JEOL database | - Jetter, P., et. al, J. Antibiotics, 66, 719 (2013)
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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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