Record Information |
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Version | 1.0 |
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Created at | 2022-04-28 16:34:19 UTC |
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Updated at | 2022-04-28 16:34:19 UTC |
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NP-MRD ID | NP0071180 |
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Secondary Accession Numbers | None |
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Natural Product Identification |
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Common Name | (+)-Erythrabine |
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Description | Erytharbine belongs to the class of organic compounds known as erythrinanes. These are erythrina alkaloids possessing either a 6-5-6-6-membered indoloisoquinoline core or a derivative thereof. (+)-Erythrabine is found in Erythrina arborescens Roxb., Erythrina herbacea and Erythrina lysistemon. It was first documented in 2008 (PMID: 18404329). Based on a literature review a small amount of articles have been published on Erytharbine (PMID: 34396757) (PMID: 29792153). |
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Structure | CO[C@@H]1C[C@@]23N(C=CC4=C2C=C(OC)C(OC)=C4)C(=O)C=C3C=C1 InChI=1S/C19H19NO4/c1-22-14-5-4-13-9-18(21)20-7-6-12-8-16(23-2)17(24-3)10-15(12)19(13,20)11-14/h4-10,14H,11H2,1-3H3/t14-,19-/m0/s1 |
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Synonyms | Not Available |
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Chemical Formula | C19H19NO4 |
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Average Mass | 325.3640 Da |
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Monoisotopic Mass | 325.13141 Da |
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IUPAC Name | (1S,16R)-4,5,16-trimethoxy-10-azatetracyclo[8.7.0.0^{1,13}.0^{2,7}]heptadeca-2(7),3,5,8,12,14-hexaen-11-one |
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Traditional Name | (1S,16R)-4,5,16-trimethoxy-10-azatetracyclo[8.7.0.0^{1,13}.0^{2,7}]heptadeca-2(7),3,5,8,12,14-hexaen-11-one |
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CAS Registry Number | Not Available |
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SMILES | CO[C@@H]1C[C@@]23N(C=CC4=C2C=C(OC)C(OC)=C4)C(=O)C=C3C=C1 |
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InChI Identifier | InChI=1S/C19H19NO4/c1-22-14-5-4-13-9-18(21)20-7-6-12-8-16(23-2)17(24-3)10-15(12)19(13,20)11-14/h4-10,14H,11H2,1-3H3/t14-,19-/m0/s1 |
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InChI Key | UWGXSUBUHQDSFA-LIRRHRJNSA-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, D2O, predicted) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | 1D NMR | 1H NMR Spectrum (1D, 100 MHz, D2O, predicted) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | 1D NMR | 13C NMR Spectrum (1D, 252 MHz, D2O, predicted) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | 1D NMR | 1H NMR Spectrum (1D, 1000 MHz, D2O, predicted) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | 1D NMR | 13C NMR Spectrum (1D, 50 MHz, D2O, predicted) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | 1D NMR | 1H NMR Spectrum (1D, 200 MHz, D2O, predicted) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | 1D NMR | 13C NMR Spectrum (1D, 75 MHz, D2O, predicted) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | 1D NMR | 1H NMR Spectrum (1D, 300 MHz, D2O, predicted) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | 1D NMR | 13C NMR Spectrum (1D, 101 MHz, D2O, predicted) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | 1D NMR | 1H NMR Spectrum (1D, 400 MHz, D2O, predicted) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | 1D NMR | 13C NMR Spectrum (1D, 126 MHz, D2O, predicted) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | 1D NMR | 1H NMR Spectrum (1D, 500 MHz, D2O, predicted) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | 1D NMR | 13C NMR Spectrum (1D, 151 MHz, D2O, predicted) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | 1D NMR | 1H NMR Spectrum (1D, 600 MHz, D2O, predicted) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | 1D NMR | 13C NMR Spectrum (1D, 176 MHz, D2O, predicted) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | 1D NMR | 1H NMR Spectrum (1D, 700 MHz, D2O, predicted) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | 1D NMR | 13C NMR Spectrum (1D, 201 MHz, D2O, predicted) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | 1D NMR | 1H NMR Spectrum (1D, 800 MHz, D2O, predicted) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | 1D NMR | 13C NMR Spectrum (1D, 226 MHz, D2O, predicted) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | 1D NMR | 1H NMR Spectrum (1D, 900 MHz, D2O, 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 erythrinanes. These are erythrina alkaloids possessing either a 6-5-6-6-membered indoloisoquinoline core or a derivative thereof. |
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Kingdom | Organic compounds |
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Super Class | Alkaloids and derivatives |
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Class | Erythrina alkaloids |
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Sub Class | Erythrinanes |
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Direct Parent | Erythrinanes |
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Alternative Parents | |
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Substituents | - Erythrinane skeleton
- Indole or derivatives
- Anisole
- Phenol ether
- Alkyl aryl ether
- Benzenoid
- Tertiary carboxylic acid amide
- Pyrroline
- Carboxamide group
- Lactam
- Carboxylic acid derivative
- Dialkyl ether
- Ether
- Azacycle
- Organoheterocyclic compound
- Hydrocarbon derivative
- Organic oxygen compound
- Organic nitrogen compound
- Carbonyl group
- Organic oxide
- Organonitrogen compound
- Organooxygen 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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