Record Information |
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Version | 2.0 |
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Created at | 2021-06-21 00:20:43 UTC |
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Updated at | 2021-06-30 00:18:03 UTC |
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NP-MRD ID | NP0042767 |
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Secondary Accession Numbers | None |
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Natural Product Identification |
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Common Name | indanostatin |
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Provided By | JEOL Database |
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Description | indanostatin is found in Streptomyces sp. RAI20. indanostatin was first documented in 2013 (Hayakawa, Y., et al.). |
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Structure | [H]OC1=C([H])C(=C(O[H])C2=C1C(=O)[C@@](O[H])(C2=O)C([H])([H])C(=O)C([H])([H])[H])C([H])([H])[H] InChI=1S/C13H12O6/c1-5-3-7(15)8-9(10(5)16)12(18)13(19,11(8)17)4-6(2)14/h3,15-16,19H,4H2,1-2H3/t13-/m1/s1 |
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Synonyms | Not Available |
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Chemical Formula | C13H12O6 |
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Average Mass | 264.2330 Da |
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Monoisotopic Mass | 264.06339 Da |
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IUPAC Name | (2R)-2,4,7-trihydroxy-5-methyl-2-(2-oxopropyl)-2,3-dihydro-1H-indene-1,3-dione |
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Traditional Name | (2R)-2,4,7-trihydroxy-5-methyl-2-(2-oxopropyl)indene-1,3-dione |
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CAS Registry Number | Not Available |
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SMILES | [H]OC1=C([H])C(=C(O[H])C2=C1C(=O)[C@@](O[H])(C2=O)C([H])([H])C(=O)C([H])([H])[H])C([H])([H])[H] |
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InChI Identifier | InChI=1S/C13H12O6/c1-5-3-7(15)8-9(10(5)16)12(18)13(19,11(8)17)4-6(2)14/h3,15-16,19H,4H2,1-2H3/t13-/m1/s1 |
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InChI Key | JAUUXHXOILFWJR-CYBMUJFWSA-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, 400 MHz, DMSO-d6, simulated) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | 1D NMR | 1H NMR Spectrum (1D, 400 MHz, DMSO-d6, simulated) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | 1D NMR | 13C NMR Spectrum (1D, 100 MHz, DMSO-d6, simulated) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | 1D NMR | 1H NMR Spectrum (1D, 100 MHz, DMSO-d6, simulated) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | 1D NMR | 13C NMR Spectrum (1D, 200 MHz, DMSO-d6, simulated) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | 1D NMR | 1H NMR Spectrum (1D, 200 MHz, DMSO-d6, simulated) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | 1D NMR | 13C NMR Spectrum (1D, 300 MHz, DMSO-d6, simulated) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | 1D NMR | 1H NMR Spectrum (1D, 300 MHz, DMSO-d6, simulated) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | 1D NMR | 13C NMR Spectrum (1D, 500 MHz, DMSO-d6, simulated) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | 1D NMR | 1H NMR Spectrum (1D, 500 MHz, DMSO-d6, simulated) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | 1D NMR | 13C NMR Spectrum (1D, 600 MHz, DMSO-d6, simulated) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | 1D NMR | 1H NMR Spectrum (1D, 600 MHz, DMSO-d6, simulated) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | 1D NMR | 13C NMR Spectrum (1D, 700 MHz, DMSO-d6, simulated) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | 1D NMR | 1H NMR Spectrum (1D, 700 MHz, DMSO-d6, simulated) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | 1D NMR | 13C NMR Spectrum (1D, 800 MHz, DMSO-d6, simulated) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | 1D NMR | 1H NMR Spectrum (1D, 800 MHz, DMSO-d6, simulated) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | 1D NMR | 13C NMR Spectrum (1D, 900 MHz, DMSO-d6, simulated) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | 1D NMR | 1H NMR Spectrum (1D, 900 MHz, DMSO-d6, simulated) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | 1D NMR | 13C NMR Spectrum (1D, 1000 MHz, DMSO-d6, simulated) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | 1D NMR | 1H NMR Spectrum (1D, 1000 MHz, DMSO-d6, 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. RAI20 | JEOL database | - Hayakawa, Y., et. al, J. Antibiotics, 66, 731 (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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