Record Information |
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Version | 5.0 |
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Status | Detected but not Quantified |
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Creation Date | 2021-09-11 15:33:12 UTC |
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Update Date | 2021-09-26 23:10:50 UTC |
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HMDB ID | HMDB0255738 |
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Secondary Accession Numbers | None |
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Metabolite Identification |
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Common Name | Norgalanthamine |
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Description | Norgalanthamine belongs to the class of organic compounds known as galanthamine-type amaryllidaceae alkaloids. These are amaryllidaceae alkaloids with a structure characterized a tetracyclic skeleton with two ortho aromatic protons in ring A. Based on a literature review a significant number of articles have been published on Norgalanthamine. This compound has been identified in human blood as reported by (PMID: 31557052 ). Norgalanthamine is not a naturally occurring metabolite and is only found in those individuals exposed to this compound or its derivatives. Technically Norgalanthamine is part of the human exposome. The exposome can be defined as the collection of all the exposures of an individual in a lifetime and how those exposures relate to health. An individual's exposure begins before birth and includes insults from environmental and occupational sources. |
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Structure | COC1=CC=C2CNCCC34C=CC(O)CC3OC1=C24 InChI=1S/C16H19NO3/c1-19-12-3-2-10-9-17-7-6-16-5-4-11(18)8-13(16)20-15(12)14(10)16/h2-5,11,13,17-18H,6-9H2,1H3 |
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Synonyms | Not Available |
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Chemical Formula | C16H19NO3 |
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Average Molecular Weight | 273.332 |
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Monoisotopic Molecular Weight | 273.136493476 |
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IUPAC Name | 9-methoxy-11-oxa-4-azatetracyclo[8.6.1.0¹,¹².0⁶,¹⁷]heptadeca-6,8,10(17),15-tetraen-14-ol |
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Traditional Name | 9-methoxy-11-oxa-4-azatetracyclo[8.6.1.0¹,¹².0⁶,¹⁷]heptadeca-6,8,10(17),15-tetraen-14-ol |
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CAS Registry Number | Not Available |
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SMILES | COC1=CC=C2CNCCC34C=CC(O)CC3OC1=C24 |
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InChI Identifier | InChI=1S/C16H19NO3/c1-19-12-3-2-10-9-17-7-6-16-5-4-11(18)8-13(16)20-15(12)14(10)16/h2-5,11,13,17-18H,6-9H2,1H3 |
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InChI Key | AIXQQSTVOSFSMO-UHFFFAOYSA-N |
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Chemical Taxonomy |
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Description | Belongs to the class of organic compounds known as galanthamine-type amaryllidaceae alkaloids. These are amaryllidaceae alkaloids with a structure characterized a tetracyclic skeleton with two ortho aromatic protons in ring A. |
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Kingdom | Organic compounds |
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Super Class | Alkaloids and derivatives |
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Class | Amaryllidaceae alkaloids |
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Sub Class | Galanthamine-type amaryllidaceae alkaloids |
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Direct Parent | Galanthamine-type amaryllidaceae alkaloids |
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Alternative Parents | |
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Substituents | - Galanthamine-type amaryllidaceae alkaloid
- Benzazepine
- Coumaran
- Anisole
- Phenol ether
- Alkyl aryl ether
- Azepine
- Aralkylamine
- Benzenoid
- Secondary alcohol
- Secondary amine
- Azacycle
- Ether
- Secondary aliphatic amine
- Oxacycle
- Organoheterocyclic compound
- Alcohol
- Organooxygen compound
- Organonitrogen compound
- Hydrocarbon derivative
- Organic oxygen compound
- Amine
- Organic nitrogen 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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Ontology |
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Physiological effect | Not Available |
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Disposition | |
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Process | Not Available |
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Role | Not Available |
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Physical Properties |
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State | Not Available |
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Experimental Molecular 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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Experimental Chromatographic Properties | Not Available |
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Predicted Molecular Properties | | Show more...
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Predicted Chromatographic Properties | Predicted Collision Cross SectionsPredicted Kovats Retention IndicesUnderivatizedDerivatizedDerivative Name / Structure | SMILES | Kovats RI Value | Column Type | Reference |
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Norgalanthamine,2TMS,isomer #1 | COC1=CC=C2CN([Si](C)(C)C)CCC34C=CC(O[Si](C)(C)C)CC3OC1=C24 | 2494.9 | Semi standard non polar | 33892256 | Norgalanthamine,2TMS,isomer #1 | COC1=CC=C2CN([Si](C)(C)C)CCC34C=CC(O[Si](C)(C)C)CC3OC1=C24 | 2402.2 | Standard non polar | 33892256 | Norgalanthamine,2TMS,isomer #1 | COC1=CC=C2CN([Si](C)(C)C)CCC34C=CC(O[Si](C)(C)C)CC3OC1=C24 | 3022.8 | Standard polar | 33892256 | Norgalanthamine,2TBDMS,isomer #1 | COC1=CC=C2CN([Si](C)(C)C(C)(C)C)CCC34C=CC(O[Si](C)(C)C(C)(C)C)CC3OC1=C24 | 2951.9 | Semi standard non polar | 33892256 | Norgalanthamine,2TBDMS,isomer #1 | COC1=CC=C2CN([Si](C)(C)C(C)(C)C)CCC34C=CC(O[Si](C)(C)C(C)(C)C)CC3OC1=C24 | 2841.4 | Standard non polar | 33892256 | Norgalanthamine,2TBDMS,isomer #1 | COC1=CC=C2CN([Si](C)(C)C(C)(C)C)CCC34C=CC(O[Si](C)(C)C(C)(C)C)CC3OC1=C24 | 3281.5 | Standard polar | 33892256 |
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