CNP0194582.4
CNP0194582.4 · C18H32O2 · View on COCONUT ↗
Identifiers
| COCONUT ID | CNP0194582.4 |
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| InChIKey | OYHQOLUKZRVURQ-KQHSAVHASA-N |
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| InChI | InChI=1S/C18H32O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20/h6-7,9-10H,2-5,8,11-17H2,1H3,(H,19,20)/b7-6+,10-9- |
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| SMILES | CCCCC/C=C/C/C=C\CCCCCCCC(=O)O |
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Properties
| Molecular Formula | C18H32O2 |
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| Molecular Weight | 280.45 |
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| Exact Mass | 280.24023 |
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| Log P (ALogP) | 5.88 |
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| TPSA | 37.30 |
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| H-Bond Donors / Acceptors | 1 / 1 |
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| Rotatable Bonds | 14 |
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| Lipinski's Rule of 5 Violations | 1 |
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| QED Drug-likeness | 0.32 |
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| NP-likeness | 1.19 |
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Classification
| NP Pathway | Fatty acids |
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| NP Superclass | Fatty Acids and Conjugates |
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| NP Class | Unsaturated fatty acids |
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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.
