Record Information |
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Version | 1.0 |
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Created at | 2022-04-28 15:45:56 UTC |
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Updated at | 2022-04-28 15:45:56 UTC |
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NP-MRD ID | NP0070392 |
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Secondary Accession Numbers | None |
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Natural Product Identification |
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Common Name | Salimine |
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Description | (8S)-8-[(1-hydroxyethylidene)amino]-5,13,14,15-tetramethoxytricyclo[9.4.0.0²,⁷]Pentadeca-1(15),2,4,6,11,13-hexaene-4-carboxylic acid belongs to the class of organic compounds known as o-methoxybenzoic acids and derivatives. These are benzoic acids in which the hydrogen atom at position 2 of the benzene ring is replaced by a methoxy group. Salimine is found in Colchicum decaisnei. Based on a literature review very few articles have been published on (8S)-8-[(1-hydroxyethylidene)amino]-5,13,14,15-tetramethoxytricyclo[9.4.0.0²,⁷]Pentadeca-1(15),2,4,6,11,13-hexaene-4-carboxylic acid. |
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Structure | COC1=CC2=C(C=C1C(O)=O)C1=C(CC[C@@H]2NC(C)=O)C=C(OC)C(OC)=C1OC InChI=1S/C22H25NO7/c1-11(24)23-16-7-6-12-8-18(28-3)20(29-4)21(30-5)19(12)14-9-15(22(25)26)17(27-2)10-13(14)16/h8-10,16H,6-7H2,1-5H3,(H,23,24)(H,25,26)/t16-/m0/s1 |
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Synonyms | Value | Source |
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(8S)-8-[(1-Hydroxyethylidene)amino]-5,13,14,15-tetramethoxytricyclo[9.4.0.0,]pentadeca-1(15),2,4,6,11,13-hexaene-4-carboxylate | Generator |
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Chemical Formula | C22H25NO7 |
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Average Mass | 415.4420 Da |
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Monoisotopic Mass | 415.16310 Da |
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IUPAC Name | (8S)-8-acetamido-5,13,14,15-tetramethoxytricyclo[9.4.0.0^{2,7}]pentadeca-1(11),2(7),3,5,12,14-hexaene-4-carboxylic acid |
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Traditional Name | (8S)-8-acetamido-5,13,14,15-tetramethoxytricyclo[9.4.0.0^{2,7}]pentadeca-1(11),2(7),3,5,12,14-hexaene-4-carboxylic acid |
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CAS Registry Number | Not Available |
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SMILES | COC1=CC2=C(C=C1C(O)=O)C1=C(CC[C@@H]2NC(C)=O)C=C(OC)C(OC)=C1OC |
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InChI Identifier | InChI=1S/C22H25NO7/c1-11(24)23-16-7-6-12-8-18(28-3)20(29-4)21(30-5)19(12)14-9-15(22(25)26)17(27-2)10-13(14)16/h8-10,16H,6-7H2,1-5H3,(H,23,24)(H,25,26)/t16-/m0/s1 |
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InChI Key | ICOSXRMNIQXQRQ-INIZCTEOSA-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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Description | Belongs to the class of organic compounds known as o-methoxybenzoic acids and derivatives. These are benzoic acids in which the hydrogen atom at position 2 of the benzene ring is replaced by a methoxy group. |
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Kingdom | Organic compounds |
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Super Class | Benzenoids |
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Class | Benzene and substituted derivatives |
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Sub Class | Benzoic acids and derivatives |
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Direct Parent | O-methoxybenzoic acids and derivatives |
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Alternative Parents | |
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Substituents | - O-methoxybenzoic acid or derivatives
- Anisole
- Alkyl aryl ether
- Carboximidic acid
- Carboximidic acid derivative
- Carboxylic acid derivative
- Carboxylic acid
- Ether
- Monocarboxylic acid or derivatives
- Propargyl-type 1,3-dipolar organic compound
- Organic 1,3-dipolar compound
- Organopnictogen compound
- Organonitrogen compound
- Organooxygen compound
- Organic nitrogen compound
- Organic oxygen compound
- Hydrocarbon derivative
- Organic oxide
- Aromatic homopolycyclic compound
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Molecular Framework | Aromatic homopolycyclic 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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