| Record Information |
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| Version | 2.0 |
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| Created at | 2022-04-28 15:15:03 UTC |
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| Updated at | 2022-04-28 15:15:03 UTC |
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| NP-MRD ID | NP0069956 |
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| Secondary Accession Numbers | None |
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| Natural Product Identification |
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| Common Name | Huperzine G |
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| Description | {[(1R,2R,13S,15R)-15-methyl-6-azatetracyclo[8.6.0.0¹,⁶.0²,¹³]Hexadec-10-en-11-yl]carbamoyl}formic acid belongs to the class of organic compounds known as sesquiterpenoids. These are terpenes with three consecutive isoprene units. Huperzine G is found in Huperzia serrata . Based on a literature review very few articles have been published on {[(1R,2R,13S,15R)-15-methyl-6-azatetracyclo[8.6.0.0¹,⁶.0²,¹³]Hexadec-10-en-11-yl]carbamoyl}formic acid. |
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| Structure | C[C@@H]1C[C@H]2CC(NC(=O)C(O)=O)=C3CCCN4CCC[C@H]2[C@]34C1 InChI=1S/C18H26N2O3/c1-11-8-12-9-15(19-16(21)17(22)23)14-5-3-7-20-6-2-4-13(12)18(14,20)10-11/h11-13H,2-10H2,1H3,(H,19,21)(H,22,23)/t11-,12+,13-,18-/m1/s1 |
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| Synonyms | | Value | Source |
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| {[(1R,2R,13S,15R)-15-methyl-6-azatetracyclo[8.6.0.0,.0,]hexadec-10-en-11-yl]carbamoyl}formate | Generator |
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| Chemical Formula | C18H26N2O3 |
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| Average Mass | 318.4170 Da |
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| Monoisotopic Mass | 318.19434 Da |
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| IUPAC Name | {[(1R,2R,13S,15R)-15-methyl-6-azatetracyclo[8.6.0.0^{1,6}.0^{2,13}]hexadec-10-en-11-yl]carbamoyl}formic acid |
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| Traditional Name | {[(1R,2R,13S,15R)-15-methyl-6-azatetracyclo[8.6.0.0^{1,6}.0^{2,13}]hexadec-10-en-11-yl]carbamoyl}formic acid |
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| CAS Registry Number | Not Available |
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| SMILES | C[C@@H]1C[C@H]2CC(NC(=O)C(O)=O)=C3CCCN4CCC[C@H]2[C@]34C1 |
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| InChI Identifier | InChI=1S/C18H26N2O3/c1-11-8-12-9-15(19-16(21)17(22)23)14-5-3-7-20-6-2-4-13(12)18(14,20)10-11/h11-13H,2-10H2,1H3,(H,19,21)(H,22,23)/t11-,12+,13-,18-/m1/s1 |
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| InChI Key | PQCFXUTVHDDVBP-SJBDTSRBSA-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 sesquiterpenoids. These are terpenes with three consecutive isoprene units. |
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| Kingdom | Organic compounds |
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| Super Class | Lipids and lipid-like molecules |
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| Class | Prenol lipids |
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| Sub Class | Sesquiterpenoids |
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| Direct Parent | Sesquiterpenoids |
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| Alternative Parents | |
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| Substituents | - Sesquiterpenoid
- Quinolidine
- Quinolizidine
- Azaspirodecane
- Alpha-amino acid or derivatives
- Piperidine
- Amino acid
- Tertiary aliphatic amine
- Tertiary amine
- Secondary carboxylic acid amide
- Carboxamide group
- Amino acid or derivatives
- Azacycle
- Organoheterocyclic compound
- Monocarboxylic acid or derivatives
- Carboxylic acid
- Carboxylic acid derivative
- Organic nitrogen compound
- Organic oxygen compound
- Organopnictogen compound
- Organic oxide
- Hydrocarbon derivative
- Organooxygen compound
- Organonitrogen compound
- Carbonyl group
- Amine
- 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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