Record Information |
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Version | 2.0 |
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Created at | 2022-09-12 03:13:59 UTC |
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Updated at | 2022-09-12 03:14:00 UTC |
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NP-MRD ID | NP0323662 |
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Secondary Accession Numbers | None |
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Natural Product Identification |
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Common Name | 2,11-dimethoxy-1h,2h,3h,5h,6h,8h,13h-indolo[1,7a-b]isoquinolin-10-ol |
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Description | 2,11-Dimethoxy-1H,2H,3H,5H,6H,8H,13H-indolo[1,7a-b]isoquinolin-10-ol belongs to the class of organic compounds known as tetrahydroisoquinolines. These are tetrahydrogenated isoquinoline derivatives. 2,11-dimethoxy-1h,2h,3h,5h,6h,8h,13h-indolo[1,7a-b]isoquinolin-10-ol is found in Cocculus hirsutus. Based on a literature review very few articles have been published on 2,11-dimethoxy-1H,2H,3H,5H,6H,8H,13H-indolo[1,7a-b]isoquinolin-10-ol. |
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Structure | COC1CC=C2CCN3CC4=C(CC23C1)C=C(OC)C(O)=C4 InChI=1S/C18H23NO3/c1-21-15-4-3-14-5-6-19-11-13-7-16(20)17(22-2)8-12(13)9-18(14,19)10-15/h3,7-8,15,20H,4-6,9-11H2,1-2H3 |
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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 | 5,16-dimethoxy-10-azatetracyclo[8.7.0.0^{1,13}.0^{3,8}]heptadeca-3(8),4,6,13-tetraen-6-ol |
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Traditional Name | 5,16-dimethoxy-10-azatetracyclo[8.7.0.0^{1,13}.0^{3,8}]heptadeca-3(8),4,6,13-tetraen-6-ol |
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CAS Registry Number | Not Available |
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SMILES | COC1CC=C2CCN3CC4=C(CC23C1)C=C(OC)C(O)=C4 |
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InChI Identifier | InChI=1S/C18H23NO3/c1-21-15-4-3-14-5-6-19-11-13-7-16(20)17(22-2)8-12(13)9-18(14,19)10-15/h3,7-8,15,20H,4-6,9-11H2,1-2H3 |
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InChI Key | NSHUSMDHCCJJBM-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 | |
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Chemical Taxonomy |
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Description | Belongs to the class of organic compounds known as tetrahydroisoquinolines. These are tetrahydrogenated isoquinoline derivatives. |
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Kingdom | Organic compounds |
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Super Class | Organoheterocyclic compounds |
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Class | Tetrahydroisoquinolines |
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Sub Class | Not Available |
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Direct Parent | Tetrahydroisoquinolines |
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Alternative Parents | |
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Substituents | - Tetrahydroisoquinoline
- Indole or derivatives
- Anisole
- Alkyl aryl ether
- 1-hydroxy-2-unsubstituted benzenoid
- Aralkylamine
- Benzenoid
- N-alkylpyrrolidine
- Pyrrolidine
- Tertiary amine
- Tertiary aliphatic amine
- Dialkyl ether
- Ether
- Azacycle
- Organonitrogen compound
- Organopnictogen compound
- Amine
- Organic nitrogen compound
- Organooxygen 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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