| Record Information |
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| Version | 2.0 |
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| Created at | 2022-09-03 03:16:05 UTC |
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| Updated at | 2022-09-03 03:16:05 UTC |
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| NP-MRD ID | NP0167638 |
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| Secondary Accession Numbers | None |
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| Natural Product Identification |
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| Common Name | (1r,10s,12s)-4,5,12-trimethoxy-9-azatetracyclo[7.5.2.0¹,¹⁰.0²,⁷]hexadeca-2(7),3,5,13-tetraene |
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| Description | O-Methylmaritidine belongs to the class of organic compounds known as phenanthridines and derivatives. These are polycyclic compounds containing a phenanthridine moiety, which is a tricyclic system with two benzene rings joined by a pyridine forming a non-linear skeleton. Hydrogenated derivatives are also included. (1r,10s,12s)-4,5,12-trimethoxy-9-azatetracyclo[7.5.2.0¹,¹⁰.0²,⁷]hexadeca-2(7),3,5,13-tetraene is found in Cyrtanthus falcatus and Narcissus papyraceus. (1r,10s,12s)-4,5,12-trimethoxy-9-azatetracyclo[7.5.2.0¹,¹⁰.0²,⁷]hexadeca-2(7),3,5,13-tetraene was first documented in 2006 (PMID: 16557463). Based on a literature review very few articles have been published on O-Methylmaritidine (PMID: 30784301). |
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| Structure | CO[C@H]1C[C@@H]2N3CC[C@@]2(C=C1)C1=C(C3)C=C(OC)C(OC)=C1 InChI=1S/C18H23NO3/c1-20-13-4-5-18-6-7-19(17(18)9-13)11-12-8-15(21-2)16(22-3)10-14(12)18/h4-5,8,10,13,17H,6-7,9,11H2,1-3H3/t13-,17+,18+/m1/s1 |
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| Synonyms | Not Available |
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| Chemical Formula | C18H23NO3 |
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| Average Mass | 301.3860 Da |
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| Monoisotopic Mass | 301.16779 Da |
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| IUPAC Name | (1R,10S,12S)-4,5,12-trimethoxy-9-azatetracyclo[7.5.2.0^{1,10}.0^{2,7}]hexadeca-2(7),3,5,13-tetraene |
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| Traditional Name | (1R,10S,12S)-4,5,12-trimethoxy-9-azatetracyclo[7.5.2.0^{1,10}.0^{2,7}]hexadeca-2(7),3,5,13-tetraene |
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| CAS Registry Number | Not Available |
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| SMILES | CO[C@H]1C[C@@H]2N3CC[C@@]2(C=C1)C1=C(C3)C=C(OC)C(OC)=C1 |
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| InChI Identifier | InChI=1S/C18H23NO3/c1-20-13-4-5-18-6-7-19(17(18)9-13)11-12-8-15(21-2)16(22-3)10-14(12)18/h4-5,8,10,13,17H,6-7,9,11H2,1-3H3/t13-,17+,18+/m1/s1 |
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| InChI Key | WFMPBYKDVOTCEI-BVGQSLNGSA-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 | |
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| Chemical Taxonomy |
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| Description | Belongs to the class of organic compounds known as phenanthridines and derivatives. These are polycyclic compounds containing a phenanthridine moiety, which is a tricyclic system with two benzene rings joined by a pyridine forming a non-linear skeleton. Hydrogenated derivatives are also included. |
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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 | Phenanthridines and derivatives |
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| Alternative Parents | |
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| Substituents | - Phenanthridine
- Benzazepine
- Tetrahydroisoquinoline
- Indole or derivatives
- Anisole
- Phenol ether
- Alkyl aryl ether
- Azepine
- Aralkylamine
- Benzenoid
- N-alkylpyrrolidine
- Pyrrolidine
- Tertiary aliphatic amine
- Tertiary amine
- Ether
- Dialkyl ether
- Azacycle
- Amine
- 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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