10,17-Dioxosparteine
CNP0320746.1 · C15H22N2O2 · View on COCONUT ↗
Identifiers
| Name | 10,17-Dioxosparteine |
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| IUPAC Name | (1~{R},2~{S},9~{R},10~{R})-7,15-diazatetracyclo[7.7.1.0^{2,7}.0^{10,15}]heptadecane-8,16-dione |
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| COCONUT ID | CNP0320746.1 |
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| CAS | 52717-73-4 |
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| InChIKey | BUJFCCGYEMOGKQ-LPWJVIDDSA-N |
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| InChI | InChI=1S/C15H22N2O2/c18-14-10-9-11(13-6-2-4-8-17(13)14)15(19)16-7-3-1-5-12(10)16/h10-13H,1-9H2/t10-,11-,12-,13+/m1/s1 |
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| SMILES | O=C1[C@@H]2C[C@@H](C(=O)N3CCCC[C@@H]23)[C@H]2CCCCN12 |
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Properties
| Molecular Formula | C15H22N2O2 |
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| Molecular Weight | 262.35 |
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| Exact Mass | 262.16813 |
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| Log P (ALogP) | 1.40 |
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| TPSA | 40.62 |
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| H-Bond Donors / Acceptors | 0 / 2 |
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| Rotatable Bonds | 0 |
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| Lipinski's Rule of 5 Violations | 0 |
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| QED Drug-likeness | 0.66 |
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| NP-likeness | 0.50 |
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Classification
| NP Pathway | Alkaloids |
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| NP Superclass | Lysine alkaloids |
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| NP Class | Quinolizidine alkaloids |
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| Chemical Superclass | Alkaloids and derivatives |
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| Chemical Class | Lupin alkaloids |
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| Chemical Subclass | Sparteine, lupanine, and related alkaloids |
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Reported in GR-MAPs Plants
Data from COCONUT (COlleCtion of Open Natural prodUcTs), released under CC0. Chandrasekhar V. et al. COCONUT 2.0: a comprehensive overhaul and curation of the collection of open natural products database. Nucleic Acids Research (2024), doi:10.1093/nar/gkae1063. COCONUT release 2026-10.
