CNP0388640.1
CNP0388640.1 · C19H36O2 · View on COCONUT ↗
Identifiers
| COCONUT ID | CNP0388640.1 |
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| InChIKey | HHZIOLLKZWLCOX-MDZDMXLPSA-N |
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| InChI | InChI=1S/C19H36O2/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19(20)21-2/h9-10H,3-8,11-18H2,1-2H3/b10-9+ |
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| SMILES | CCCCCCC/C=C/CCCCCCCCC(=O)OC |
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Properties
| Molecular Formula | C19H36O2 |
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| Molecular Weight | 296.49 |
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| Exact Mass | 296.27153 |
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| Log P (ALogP) | 6.20 |
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| TPSA | 26.30 |
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| H-Bond Donors / Acceptors | 0 / 2 |
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| Rotatable Bonds | 15 |
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| Lipinski's Rule of 5 Violations | 1 |
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| QED Drug-likeness | 0.20 |
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| NP-likeness | 0.73 |
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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.
