CNP0586860.1
CNP0586860.1 · C15H24O2 · View on COCONUT ↗
Identifiers
| COCONUT ID | CNP0586860.1 |
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| InChIKey | WWVHKPBSUOUGBV-RRURSIDFSA-N |
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| InChI | InChI=1S/C15H24O2/c1-5-14(17)9-11-15(3,4)10-8-13(2)7-6-12-16/h8-9,11-12H,5-7,10H2,1-4H3/b11-9+,13-8+ |
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| SMILES | CCC(=O)/C=C/C(C)(C)C/C=C(\C)CCC=O |
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Properties
| Molecular Formula | C15H24O2 |
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| Molecular Weight | 236.35 |
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| Exact Mass | 236.17763 |
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| Log P (ALogP) | 3.86 |
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| TPSA | 34.14 |
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| H-Bond Donors / Acceptors | 0 / 2 |
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| Rotatable Bonds | 8 |
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| Lipinski's Rule of 5 Violations | 0 |
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| QED Drug-likeness | 0.36 |
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| NP-likeness | 1.73 |
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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.
