Record Information |
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Version | 2.0 |
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Created at | 2022-12-22 09:20:48 UTC |
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Updated at | 2024-09-03 04:15:15 UTC |
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NP-MRD ID | NP0331294 |
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Natural Product DOI | https://doi.org/10.57994/0203 |
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Secondary Accession Numbers | None |
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Natural Product Identification |
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Common Name | Dysidealactam C |
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Description | CHEMBL4643242 belongs to the class of organic compounds known as indolyl carboxylic acids and derivatives. Indolyl carboxylic acids and derivatives are compounds containing a carboxylic acid chain (of at least 2 carbon atoms) linked to an indole ring. Based on a literature review very few articles have been published on CHEMBL4643242. |
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Structure | [H][C@@]12CCC3=C([C@@H](O)N(CC(O)=O)C3=O)[C@@]1(C)CCCC2(C)C InChI=1S/C17H25NO4/c1-16(2)7-4-8-17(3)11(16)6-5-10-13(17)15(22)18(14(10)21)9-12(19)20/h11,15,22H,4-9H2,1-3H3,(H,19,20)/t11-,15+,17-/m0/s1 |
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Synonyms | Not Available |
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Chemical Formula | C17H25NO4 |
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Average Mass | 307.3900 Da |
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Monoisotopic Mass | 307.17836 Da |
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IUPAC Name | Not Available |
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Traditional Name | Not Available |
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CAS Registry Number | Not Available |
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SMILES | [H][C@@]12CCC3=C([C@@H](O)N(CC(O)=O)C3=O)[C@@]1(C)CCCC2(C)C |
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InChI Identifier | InChI=1S/C17H25NO4/c1-16(2)7-4-8-17(3)11(16)6-5-10-13(17)15(22)18(14(10)21)9-12(19)20/h11,15,22H,4-9H2,1-3H3,(H,19,20)/t11-,15+,17-/m0/s1 |
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InChI Key | AOALSOLHBFZMHD-CXMBCZLWSA-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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ROESY NMR | [1H, 1H] NMR Spectrum (2D, 600 MHz, CD3OD, experimental) | r.capon@imb.uq.edu.au | Not Available | Not Available | 2022-12-22 | View Spectrum | 1D NMR | 13C NMR Spectrum (1D, 151 MHz, CD3OD, experimental) | r.capon@imb.uq.edu.au | Not Available | Not Available | 2022-12-22 | View Spectrum | COSY NMR | [1H, 1H] NMR Spectrum (2D, 600 MHz, CD3OD, experimental) | r.capon@imb.uq.edu.au | Not Available | Not Available | 2022-12-22 | View Spectrum | HMBC NMR | [1H, 13C] NMR Spectrum (2D, 600 MHz, CD3OD, experimental) | r.capon@imb.uq.edu.au | Not Available | Not Available | 2022-12-22 | View Spectrum | HSQC NMR | [1H, 13C] NMR Spectrum (2D, 600 MHz, CD3OD, experimental) | r.capon@imb.uq.edu.au | Not Available | Not Available | 2022-12-22 | View Spectrum | 1D NMR | 1H NMR Spectrum (1D, 600 MHz, CD3OD, experimental) | r.capon@imb.uq.edu.au | Not Available | Not Available | 2022-12-22 | View Spectrum | 1D NMR | 1H NMR Spectrum (1D, 600 MHz, CD3OD, experimental) | r.capon@imb.uq.edu.au | Not Available | Not Available | 2022-12-22 | View Spectrum |
| Predicted Spectra |
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| Spectrum Type | Description | Depositor ID | Depositor Organization | Depositor | Deposition Date | View |
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| Chemical Shift Submissions |
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| Not Available | Species |
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Species of Origin | Not Available |
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Chemical Taxonomy |
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Description | Belongs to the class of organic compounds known as indolyl carboxylic acids and derivatives. Indolyl carboxylic acids and derivatives are compounds containing a carboxylic acid chain (of at least 2 carbon atoms) linked to an indole ring. |
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Kingdom | Organic compounds |
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Super Class | Organoheterocyclic compounds |
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Class | Indoles and derivatives |
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Sub Class | Indolyl carboxylic acids and derivatives |
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Direct Parent | Indolyl carboxylic acids and derivatives |
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Alternative Parents | |
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Substituents | - Indolyl carboxylic acid derivative
- Isoindolone
- Alpha-amino acid or derivatives
- Isoindole or derivatives
- Isoindole
- Indole
- Tertiary carboxylic acid amide
- Pyrroline
- Lactam
- Carboxamide group
- Azacycle
- Monocarboxylic acid or derivatives
- Carboxylic acid
- Carboxylic acid derivative
- Alkanolamine
- Organic nitrogen compound
- Organic oxygen compound
- Organopnictogen compound
- Organic oxide
- Hydrocarbon derivative
- Organooxygen compound
- Organonitrogen compound
- 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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