Record Information |
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Version | 1.0 |
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Created at | 2021-06-20 22:07:05 UTC |
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Updated at | 2021-06-30 00:13:19 UTC |
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NP-MRD ID | NP0039787 |
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Secondary Accession Numbers | None |
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Natural Product Identification |
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Common Name | oryzamutaic acid I |
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Provided By | JEOL Database |
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Description | Oryzamutaic acid I, also known as oryzamutaate I, 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 I 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 I. |
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Structure | [H]OC(=O)[C@@]([H])(N([H])[H])C([H])([H])C([H])([H])C1=C([H])N2[C@]([H])(O[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/C17H25N3O5/c18-11(16(22)23)6-4-9-8-20-13(2-1-3-14(20)21)10-5-7-12(17(24)25)19-15(9)10/h8,10-14,21H,1-7,18H2,(H,22,23)(H,24,25)/t10-,11-,12-,13-,14+/m0/s1 |
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Synonyms | Value | Source |
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Oryzamutaate I | Generator |
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Chemical Formula | C17H25N3O5 |
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Average Mass | 351.4030 Da |
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Monoisotopic Mass | 351.17942 Da |
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IUPAC Name | (3S,8R,11aS,11bS)-5-[(3S)-3-amino-3-carboxypropyl]-8-hydroxy-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,8R,11aS,11bS)-5-[(3S)-3-amino-3-carboxypropyl]-8-hydroxy-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])N2[C@]([H])(O[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/C17H25N3O5/c18-11(16(22)23)6-4-9-8-20-13(2-1-3-14(20)21)10-5-7-12(17(24)25)19-15(9)10/h8,10-14,21H,1-7,18H2,(H,22,23)(H,24,25)/t10-,11-,12-,13-,14+/m0/s1 |
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InChI Key | QZIKSFZYBSPTFJ-HTVCTNPSSA-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, 4953 (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
- Hydroxy fatty acid
- Tetrahydropyridine
- Dicarboxylic acid or derivatives
- Fatty acyl
- Piperidine
- Amino acid or derivatives
- Amino acid
- Ketimine
- Alkanolamine
- Carboxylic acid derivative
- Carboxylic acid
- Azacycle
- Organic 1,3-dipolar compound
- Propargyl-type 1,3-dipolar organic compound
- Amine
- Organic oxygen compound
- Hydrocarbon derivative
- Organic nitrogen compound
- Carbonyl group
- Imine
- Organic oxide
- Primary aliphatic amine
- Primary amine
- Organonitrogen compound
- Organooxygen compound
- 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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