| Record Information |
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| Version | 2.0 |
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| Created at | 2022-04-28 15:49:39 UTC |
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| Updated at | 2022-04-28 15:49:39 UTC |
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| NP-MRD ID | NP0070428 |
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| Secondary Accession Numbers | None |
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| Natural Product Identification |
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| Common Name | Serratinidine |
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| Description | N-[(1R,4S,5S,6S,8S,9S)-5-hydroxy-4-methyl-13-azatetracyclo[7.7.0.0¹,⁶.0²,¹³]Hexadec-2-en-8-yl]ethanimidic acid belongs to the class of organic compounds known as azaspirodecane derivatives. These are organic compounds containing a spirodecane moiety with at least one nitrogen atom. Serratinidine is found in Huperzia serrata , Lycopodium serratum var. serratum f. intermedium and Lycopodium serratum var. serratum f. serratum. Based on a literature review very few articles have been published on N-[(1R,4S,5S,6S,8S,9S)-5-hydroxy-4-methyl-13-azatetracyclo[7.7.0.0¹,⁶.0²,¹³]Hexadec-2-en-8-yl]ethanimidic acid. |
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| Structure | C[C@H]1C=C2N3CCC[C@]22[C@H](CCC3)[C@H](C[C@@H]2[C@H]1O)NC(C)=O InChI=1S/C18H28N2O2/c1-11-9-16-18-6-4-8-20(16)7-3-5-13(18)15(19-12(2)21)10-14(18)17(11)22/h9,11,13-15,17,22H,3-8,10H2,1-2H3,(H,19,21)/t11-,13+,14+,15-,17-,18+/m0/s1 |
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| Synonyms | | Value | Source |
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| N-[(1R,4S,5S,6S,8S,9S)-5-Hydroxy-4-methyl-13-azatetracyclo[7.7.0.0,.0,]hexadec-2-en-8-yl]ethanimidate | Generator |
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| Chemical Formula | C18H28N2O2 |
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| Average Mass | 304.4340 Da |
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| Monoisotopic Mass | 304.21508 Da |
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| IUPAC Name | N-[(1R,4S,5S,6S,8S,9S)-5-hydroxy-4-methyl-13-azatetracyclo[7.7.0.0^{1,6}.0^{2,13}]hexadec-2-en-8-yl]acetamide |
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| Traditional Name | N-[(1R,4S,5S,6S,8S,9S)-5-hydroxy-4-methyl-13-azatetracyclo[7.7.0.0^{1,6}.0^{2,13}]hexadec-2-en-8-yl]acetamide |
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| CAS Registry Number | Not Available |
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| SMILES | C[C@H]1C=C2N3CCC[C@]22[C@H](CCC3)[C@H](C[C@@H]2[C@H]1O)NC(C)=O |
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| InChI Identifier | InChI=1S/C18H28N2O2/c1-11-9-16-18-6-4-8-20(16)7-3-5-13(18)15(19-12(2)21)10-14(18)17(11)22/h9,11,13-15,17,22H,3-8,10H2,1-2H3,(H,19,21)/t11-,13+,14+,15-,17-,18+/m0/s1 |
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| InChI Key | HOTPLWDGRGKENH-DCDNKBAYSA-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 | | Species Name | Source | Reference |
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| Huperzia serrata | Plant | | | Lycopodium serratum var. serratum f. intermedium | Plant | | | Lycopodium serratum var. serratum f. serratum | Plant | |
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| Chemical Taxonomy |
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| Description | Belongs to the class of organic compounds known as azaspirodecane derivatives. These are organic compounds containing a spirodecane moiety with at least one nitrogen atom. |
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| Kingdom | Organic compounds |
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| Super Class | Organoheterocyclic compounds |
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| Class | Azaspirodecane derivatives |
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| Sub Class | Not Available |
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| Direct Parent | Azaspirodecane derivatives |
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| Alternative Parents | |
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| Substituents | - Azaspirodecane
- Azepane
- Piperidine
- Acetamide
- Tertiary aliphatic amine
- Tertiary amine
- Secondary carboxylic acid amide
- Secondary alcohol
- Carboxamide group
- Amino acid or derivatives
- Azacycle
- Enamine
- Carboxylic acid derivative
- Organic nitrogen compound
- Organic oxygen compound
- Organopnictogen compound
- Organic oxide
- Hydrocarbon derivative
- Organooxygen compound
- Organonitrogen compound
- Carbonyl group
- Amine
- Alcohol
- Aliphatic heteropolycyclic compound
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| Molecular Framework | Aliphatic 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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