CNP0397915.3
CNP0397915.3 · C15H26O2 · View on COCONUT ↗
Identifiers
| COCONUT ID | CNP0397915.3 |
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| InChIKey | PEQMAZJTEUEQJP-JLHYYAGUSA-N |
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| InChI | InChI=1S/C15H26O2/c1-6-14(5)15(16)17-11-10-13(4)9-7-8-12(2)3/h8,10,14H,6-7,9,11H2,1-5H3/b13-10+ |
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| SMILES | CCC(C)C(=O)OC/C=C(\C)CCC=C(C)C |
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Properties
| Molecular Formula | C15H26O2 |
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| Molecular Weight | 238.37 |
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| Exact Mass | 238.19328 |
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| Log P (ALogP) | 4.27 |
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| TPSA | 26.30 |
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| H-Bond Donors / Acceptors | 0 / 2 |
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| Rotatable Bonds | 7 |
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| Lipinski's Rule of 5 Violations | 0 |
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| QED Drug-likeness | 0.49 |
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| NP-likeness | 1.95 |
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Classification
| NP Pathway | Fatty acids |
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| NP Superclass | Fatty esters |
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| NP Class | Wax monoesters |
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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.
