Record Information |
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Version | 2.0 |
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Created at | 2022-09-06 21:18:59 UTC |
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Updated at | 2022-09-06 21:18:59 UTC |
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NP-MRD ID | NP0238006 |
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Secondary Accession Numbers | None |
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Natural Product Identification |
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Common Name | 13-methoxy-8,15-diazapentacyclo[9.6.2.0²,⁷.0⁸,¹⁹.0¹⁴,¹⁸]nonadeca-1(18),2(7),3,5,9,11(19),12,14,16-nonaene |
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Description | Arnoamine B, also known as arnoamine-b, belongs to the class of organic compounds known as pyrido[2,3,4-kl]acridines. These are organic heterocyclic compounds with a structure based on the pyrido[2,3,4-kl]acridine skeleton. Arnoamine B is an extremely weak basic (essentially neutral) compound (based on its pKa). |
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Structure | COC1=C2N=CC=C3C4=CC=CC=C4N4C=CC(=C1)C4=C23 InChI=1S/C18H12N2O/c1-21-15-10-11-7-9-20-14-5-3-2-4-12(14)13-6-8-19-17(15)16(13)18(11)20/h2-10H,1H3 |
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Synonyms | Value | Source |
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Arnoamine-b | MeSH |
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Chemical Formula | C18H12N2O |
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Average Mass | 272.3070 Da |
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Monoisotopic Mass | 272.09496 Da |
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IUPAC Name | 13-methoxy-8,15-diazapentacyclo[9.6.2.0²,⁷.0⁸,¹⁹.0¹⁴,¹⁸]nonadeca-1(17),2,4,6,9,11,13,15,18-nonaene |
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Traditional Name | 13-methoxy-8,15-diazapentacyclo[9.6.2.0²,⁷.0⁸,¹⁹.0¹⁴,¹⁸]nonadeca-1(17),2,4,6,9,11,13,15,18-nonaene |
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CAS Registry Number | Not Available |
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SMILES | COC1=C2N=CC=C3C4=CC=CC=C4N4C=CC(=C1)C4=C23 |
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InChI Identifier | InChI=1S/C18H12N2O/c1-21-15-10-11-7-9-20-14-5-3-2-4-12(14)13-6-8-19-17(15)16(13)18(11)20/h2-10H,1H3 |
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InChI Key | YXPUKIVVULSJNK-UHFFFAOYSA-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, H2O, predicted) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | 1D NMR | 1H NMR Spectrum (1D, 100 MHz, H2O, predicted) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | 1D NMR | 13C NMR Spectrum (1D, 252 MHz, H2O, predicted) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | 1D NMR | 1H NMR Spectrum (1D, 1000 MHz, H2O, predicted) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | 1D NMR | 13C NMR Spectrum (1D, 50 MHz, H2O, predicted) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | 1D NMR | 1H NMR Spectrum (1D, 200 MHz, H2O, predicted) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | 1D NMR | 13C NMR Spectrum (1D, 75 MHz, H2O, predicted) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | 1D NMR | 1H NMR Spectrum (1D, 300 MHz, H2O, predicted) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | 1D NMR | 13C NMR Spectrum (1D, 101 MHz, H2O, predicted) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | 1D NMR | 1H NMR Spectrum (1D, 400 MHz, H2O, predicted) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | 1D NMR | 13C NMR Spectrum (1D, 126 MHz, H2O, predicted) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | 1D NMR | 1H NMR Spectrum (1D, 500 MHz, H2O, predicted) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | 1D NMR | 13C NMR Spectrum (1D, 151 MHz, H2O, predicted) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | 1D NMR | 1H NMR Spectrum (1D, 600 MHz, H2O, predicted) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | 1D NMR | 13C NMR Spectrum (1D, 176 MHz, H2O, predicted) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | 1D NMR | 1H NMR Spectrum (1D, 700 MHz, H2O, predicted) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | 1D NMR | 13C NMR Spectrum (1D, 201 MHz, H2O, predicted) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | 1D NMR | 1H NMR Spectrum (1D, 800 MHz, H2O, predicted) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | 1D NMR | 13C NMR Spectrum (1D, 226 MHz, H2O, predicted) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | 1D NMR | 1H NMR Spectrum (1D, 900 MHz, H2O, 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 | Not Available |
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Chemical Taxonomy |
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Description | Belongs to the class of organic compounds known as pyrido[2,3,4-kl]acridines. These are organic heterocyclic compounds with a structure based on the pyrido[2,3,4-kl]acridine skeleton. |
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Kingdom | Organic compounds |
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Super Class | Organoheterocyclic compounds |
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Class | Quinolines and derivatives |
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Sub Class | Benzoquinolines |
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Direct Parent | Pyrido[2,3,4-kl]acridines |
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Alternative Parents | |
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Substituents | - Pyrido[2,3,4-kl]acridine
- Pyrroloquinoline
- Naphthyridine
- Indole
- Indole or derivatives
- Indolizine
- Pyrrolopyridine
- Anisole
- Phenol ether
- Alkyl aryl ether
- Benzenoid
- Pyridine
- Heteroaromatic compound
- Pyrrole
- Azacycle
- Ether
- Organooxygen compound
- Organonitrogen compound
- Organic nitrogen compound
- Hydrocarbon derivative
- Organic oxygen compound
- Aromatic heteropolycyclic compound
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Molecular Framework | Aromatic 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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