Floionolic acid
CNP0278599.3 · C18H36O5 · View on COCONUT ↗
Identifiers
| Name | Floionolic acid |
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| IUPAC Name | (9~{R},10~{R})-9,10,18-trihydroxyoctadecanoic acid |
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| COCONUT ID | CNP0278599.3 |
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| CAS | 17705-68-9, 583-86-8, 36700-37-5 |
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| InChIKey | OISFHODBOQNZAG-IAGOWNOFSA-N |
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| InChI | InChI=1S/C18H36O5/c19-15-11-7-2-1-4-8-12-16(20)17(21)13-9-5-3-6-10-14-18(22)23/h16-17,19-21H,1-15H2,(H,22,23)/t16-,17-/m1/s1 |
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| SMILES | O=C(O)CCCCCCC[C@@H](O)[C@H](O)CCCCCCCCO |
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Properties
| Molecular Formula | C18H36O5 |
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| Molecular Weight | 332.48 |
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| Exact Mass | 332.25627 |
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| Log P (ALogP) | 3.25 |
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| TPSA | 97.99 |
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| H-Bond Donors / Acceptors | 4 / 4 |
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| Rotatable Bonds | 17 |
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| Lipinski's Rule of 5 Violations | 0 |
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| QED Drug-likeness | 0.31 |
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| NP-likeness | 0.90 |
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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 | Hydroxy fatty acids |
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| Chemical Superclass | Lipids and lipid-like molecules |
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| Chemical Class | Fatty Acyls |
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| Chemical Subclass | Fatty acids and conjugates |
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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.
