SCHEMBL15467721
CNP0611873.0 · C9H14O · View on COCONUT ↗
Identifiers
| Name | SCHEMBL15467721 |
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| IUPAC Name | cyclonon-4-en-1-one |
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| COCONUT ID | CNP0611873.0 |
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| InChIKey | OLVNHMDMFVMIMY-UHFFFAOYSA-N |
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| InChI | InChI=1S/C9H14O/c10-9-7-5-3-1-2-4-6-8-9/h1,3H,2,4-8H2 |
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| SMILES | O=C1CCC=CCCCC1 |
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Properties
| Molecular Formula | C9H14O |
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| Molecular Weight | 138.21 |
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| Exact Mass | 138.10447 |
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| Log P (ALogP) | 2.47 |
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| TPSA | 17.07 |
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| H-Bond Donors / Acceptors | 0 / 1 |
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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 | 0.47 |
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| NP-likeness | 1.22 |
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Classification
| NP Pathway | Fatty acids |
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| NP Superclass | Fatty esters |
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| NP Class | Lactones |
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| Chemical Superclass | |
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| Chemical Class | |
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| Chemical Subclass | |
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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.
