CNP0281160.2
CNP0281160.2 · C5H8O · View on COCONUT ↗
Identifiers
| COCONUT ID | CNP0281160.2 |
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| InChIKey | ACWQBUSCFPJUPN-HWKANZROSA-N |
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| InChI | InChI=1S/C5H8O/c1-3-5(2)4-6/h3-4H,1-2H3/b5-3+ |
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| SMILES | C/C=C(\C)C=O |
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Properties
| Molecular Formula | C5H8O |
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| Molecular Weight | 84.12 |
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| Exact Mass | 84.05751 |
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| Log P (ALogP) | 1.15 |
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| TPSA | 17.07 |
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| H-Bond Donors / Acceptors | 0 / 1 |
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| Rotatable Bonds | 1 |
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| Lipinski's Rule of 5 Violations | 0 |
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| QED Drug-likeness | 0.34 |
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| NP-likeness | 2.41 |
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Classification
| NP Pathway | Fatty acids |
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| NP Superclass | Fatty acyls |
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| NP Class | Fatty aldehydes |
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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.
