CNP0242263.4
CNP0242263.4 · C18H30O2 · View on COCONUT ↗
Identifiers
| COCONUT ID | CNP0242263.4 |
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| InChIKey | CUXYLFPMQMFGPL-MRZTUZPCSA-N |
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| InChI | InChI=1S/C18H30O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20/h5-10H,2-4,11-17H2,1H3,(H,19,20)/b6-5+,8-7-,10-9+ |
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| SMILES | CCCC/C=C/C=C\C=C\CCCCCCCC(=O)O |
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Properties
| Molecular Formula | C18H30O2 |
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| Molecular Weight | 278.44 |
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| Exact Mass | 278.22458 |
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| Log P (ALogP) | 5.66 |
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| TPSA | 37.30 |
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| H-Bond Donors / Acceptors | 1 / 1 |
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| Rotatable Bonds | 13 |
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| Lipinski's Rule of 5 Violations | 1 |
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| QED Drug-likeness | 0.35 |
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| NP-likeness | 1.27 |
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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.
