Record Information |
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Version | 1.0 |
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Created at | 2021-06-20 22:05:25 UTC |
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Updated at | 2021-06-30 00:13:15 UTC |
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NP-MRD ID | NP0039748 |
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Secondary Accession Numbers | None |
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Natural Product Identification |
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Common Name | oryzamutaic acid G |
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Provided By | JEOL Database |
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Description | Oryzamutaic acid G, also known as oryzamutaate g, belongs to the class of organic compounds known as naphthyridine carboxylic acids and derivatives. Naphthyridine carboxylic acids and derivatives are compounds containing a naphthyridine moiety, where one of the ring atoms bears a carboxylic acid group. oryzamutaic acid G is found in Oryza sativa. It was first documented in 2010 (Nakano, H., et al.). Based on a literature review very few articles have been published on Oryzamutaic acid G. |
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Structure | [H]OC(=O)[C@@]([H])(N([H])[H])C([H])([H])C([H])([H])C1=C([H])N2C([H])([H])C([H])([H])C([H])([H])C([H])([H])[C@@]2([H])[C@]2([H])C1=N[C@]([H])(C(=O)O[H])C([H])([H])C2([H])[H] InChI=1S/C17H25N3O4/c18-12(16(21)22)6-4-10-9-20-8-2-1-3-14(20)11-5-7-13(17(23)24)19-15(10)11/h9,11-14H,1-8,18H2,(H,21,22)(H,23,24)/t11-,12+,13+,14+/m1/s1 |
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Synonyms | Value | Source |
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Oryzamutaate g | Generator |
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Chemical Formula | C17H25N3O4 |
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Average Mass | 335.4040 Da |
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Monoisotopic Mass | 335.18451 Da |
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IUPAC Name | (3S,11aS,11bR)-5-[(3S)-3-amino-3-carboxypropyl]-1H,2H,3H,8H,9H,10H,11H,11aH,11bH-pyrido[2,1-f]1,6-naphthyridine-3-carboxylic acid |
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Traditional Name | (3S,11aS,11bR)-5-[(3S)-3-amino-3-carboxypropyl]-1H,2H,3H,8H,9H,10H,11H,11aH,11bH-pyrido[2,1-f]1,6-naphthyridine-3-carboxylic acid |
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CAS Registry Number | Not Available |
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SMILES | [H]OC(=O)[C@@]([H])(N([H])[H])C([H])([H])C([H])([H])C1=C([H])N2C([H])([H])C([H])([H])C([H])([H])C([H])([H])[C@@]2([H])[C@]2([H])C1=N[C@]([H])(C(=O)O[H])C([H])([H])C2([H])[H] |
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InChI Identifier | InChI=1S/C17H25N3O4/c18-12(16(21)22)6-4-10-9-20-8-2-1-3-14(20)11-5-7-13(17(23)24)19-15(10)11/h9,11-14H,1-8,18H2,(H,21,22)(H,23,24)/t11-,12+,13+,14+/m1/s1 |
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InChI Key | FCKFWNBMOKKZJC-RFGFWPKPSA-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, 800 MHz, D2O, simulated) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | 1D NMR | 1H NMR Spectrum (1D, 800 MHz, D2O, simulated) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | 1D NMR | 13C NMR Spectrum (1D, 100 MHz, D2O, simulated) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | 1D NMR | 1H NMR Spectrum (1D, 100 MHz, D2O, simulated) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | 1D NMR | 13C NMR Spectrum (1D, 200 MHz, D2O, simulated) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | 1D NMR | 1H NMR Spectrum (1D, 200 MHz, D2O, simulated) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | 1D NMR | 13C NMR Spectrum (1D, 300 MHz, D2O, simulated) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | 1D NMR | 1H NMR Spectrum (1D, 300 MHz, D2O, simulated) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | 1D NMR | 13C NMR Spectrum (1D, 400 MHz, D2O, simulated) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | 1D NMR | 1H NMR Spectrum (1D, 400 MHz, D2O, simulated) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | 1D NMR | 13C NMR Spectrum (1D, 500 MHz, D2O, simulated) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | 1D NMR | 1H NMR Spectrum (1D, 500 MHz, D2O, simulated) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | 1D NMR | 13C NMR Spectrum (1D, 600 MHz, D2O, simulated) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | 1D NMR | 1H NMR Spectrum (1D, 600 MHz, D2O, simulated) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | 1D NMR | 13C NMR Spectrum (1D, 700 MHz, D2O, simulated) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | 1D NMR | 1H NMR Spectrum (1D, 700 MHz, D2O, simulated) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | 1D NMR | 13C NMR Spectrum (1D, 900 MHz, D2O, simulated) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | 1D NMR | 1H NMR Spectrum (1D, 900 MHz, D2O, simulated) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | 1D NMR | 13C NMR Spectrum (1D, 1000 MHz, D2O, simulated) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | 1D NMR | 1H NMR Spectrum (1D, 1000 MHz, D2O, 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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Oryza sativa | JEOL database | - Nakano, H., et al, Tetrahedron Lett. 51, 49 (2010)
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Chemical Taxonomy |
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Description | Belongs to the class of organic compounds known as naphthyridine carboxylic acids and derivatives. Naphthyridine carboxylic acids and derivatives are compounds containing a naphthyridine moiety, where one of the ring atoms bears a carboxylic acid group. |
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Kingdom | Organic compounds |
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Super Class | Organoheterocyclic compounds |
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Class | Diazanaphthalenes |
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Sub Class | Naphthyridines |
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Direct Parent | Naphthyridine carboxylic acids and derivatives |
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Alternative Parents | |
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Substituents | - Naphthyridine carboxylic acid
- Alpha-amino acid
- Alpha-amino acid or derivatives
- L-alpha-amino acid
- Heterocyclic fatty acid
- Tetrahydropyridine
- Dicarboxylic acid or derivatives
- Piperidine
- Fatty acyl
- Amino acid or derivatives
- Ketimine
- Tertiary aliphatic amine
- Amino acid
- Tertiary amine
- Azacycle
- Organic 1,3-dipolar compound
- Carboxylic acid derivative
- Carboxylic acid
- Enamine
- Propargyl-type 1,3-dipolar organic compound
- Allylamine
- Imine
- Organic oxide
- Hydrocarbon derivative
- Amine
- Carbonyl group
- Primary aliphatic amine
- Organic oxygen compound
- Organonitrogen compound
- Organooxygen compound
- Organic nitrogen compound
- Primary amine
- 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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