| Record Information |
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| Version | 2.0 |
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| Created at | 2022-09-07 20:52:43 UTC |
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| Updated at | 2022-09-07 20:52:43 UTC |
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| NP-MRD ID | NP0256150 |
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| Secondary Accession Numbers | None |
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| Natural Product Identification |
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| Common Name | methyl (1s,9r,16s,17r,18r,21r)-17,18-dihydroxy-2,12-diazahexacyclo[14.2.2.1⁹,¹².0¹,⁹.0³,⁸.0¹⁶,²¹]henicosa-3,5,7,14-tetraene-18-carboxylate |
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| Description | Methyl (1S,9R,16S,17R,18R,21R)-17,18-dihydroxy-2,12-diazahexacyclo[14.2.2.1⁹,¹².0¹,⁹.0³,⁸.0¹⁶,²¹]Henicosa-3,5,7,14-tetraene-18-carboxylate belongs to the class of organic compounds known as aspidofractine alkaloids. These are alkaloids with a structure that is based on the hexacyclic aspidofractine core. These compounds are related to the Aspidosperma group by formation of a C-2 to C-18 bond. Based on a literature review very few articles have been published on methyl (1S,9R,16S,17R,18R,21R)-17,18-dihydroxy-2,12-diazahexacyclo[14.2.2.1⁹,¹².0¹,⁹.0³,⁸.0¹⁶,²¹]Henicosa-3,5,7,14-tetraene-18-carboxylate. |
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| Structure | |
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| Synonyms | | Value | Source |
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| Methyl (1S,9R,16S,17R,18R,21R)-17,18-dihydroxy-2,12-diazahexacyclo[14.2.2.1,.0,.0,.0,]henicosa-3,5,7,14-tetraene-18-carboxylic acid | Generator |
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| Chemical Formula | C21H24N2O4 |
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| Average Mass | 368.4330 Da |
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| Monoisotopic Mass | 368.17361 Da |
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| IUPAC Name | Not Available |
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| Traditional Name | Not Available |
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| CAS Registry Number | Not Available |
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| SMILES | Not Available |
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| InChI Identifier | Not Available |
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| InChI Key | CSEDGMWEUVRNCN-UVHAVTLWSA-N |
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| Experimental Spectra |
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| Not Available | | Predicted Spectra |
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| Not Available | | 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 aspidofractine alkaloids. These are alkaloids with a structure that is based on the hexacyclic aspidofractine core. These compounds are related to the Aspidosperma group by formation of a C-2 to C-18 bond. |
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| Kingdom | Organic compounds |
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| Super Class | Alkaloids and derivatives |
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| Class | Aspidofractine alkaloids |
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| Sub Class | Not Available |
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| Direct Parent | Aspidofractine alkaloids |
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| Alternative Parents | |
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| Substituents | - Aspidofractine skeleton
- Carbazole
- Dihydroindole
- Indole or derivatives
- Aralkylamine
- Secondary aliphatic/aromatic amine
- Beta-hydroxy acid
- Benzenoid
- N-alkylpyrrolidine
- Hydroxy acid
- Methyl ester
- Tertiary alcohol
- Pyrrolidine
- Cyclic alcohol
- Tertiary aliphatic amine
- Tertiary amine
- Secondary alcohol
- Carboxylic acid ester
- Amino acid or derivatives
- 1,2-diol
- Azacycle
- Organoheterocyclic compound
- Secondary amine
- Monocarboxylic acid or derivatives
- Carboxylic acid derivative
- Organic nitrogen compound
- Organic oxygen compound
- Organopnictogen compound
- Organic oxide
- Hydrocarbon derivative
- Organooxygen compound
- Organonitrogen compound
- Carbonyl group
- Amine
- Alcohol
- 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 | Not Available |
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