CNP0246101.2
CNP0246101.2 · C17H32O2 · View on COCONUT ↗
Identifiers
| COCONUT ID | CNP0246101.2 |
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| InChIKey | IZFGRAGOVZCUFB-CMDGGOBGSA-N |
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| InChI | InChI=1S/C17H32O2/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17(18)19-2/h8-9H,3-7,10-16H2,1-2H3/b9-8+ |
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| SMILES | CCCCCC/C=C/CCCCCCCC(=O)OC |
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Properties
| Molecular Formula | C17H32O2 |
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| Molecular Weight | 268.44 |
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| Exact Mass | 268.24023 |
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| Log P (ALogP) | 5.42 |
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| TPSA | 26.30 |
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| H-Bond Donors / Acceptors | 0 / 2 |
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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 | 0.25 |
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| NP-likeness | 0.80 |
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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.
