(R)-Persin
CNP0210654.1 · C23H40O4 · View on COCONUT ↗
Identifiers
| Name | (R)-Persin |
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| IUPAC Name | [(2~{R},12~{Z},15~{Z})-2-hydroxy-4-oxo-henicosa-12,15-dienyl] acetate |
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| COCONUT ID | CNP0210654.1 |
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| CAS | 56164-07-9 |
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| InChIKey | IBDVBNUJEGRVQN-RHNLGMIQSA-N |
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| InChI | InChI=1S/C23H40O4/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-22(25)19-23(26)20-27-21(2)24/h7-8,10-11,23,26H,3-6,9,12-20H2,1-2H3/b8-7-,11-10-/t23-/m1/s1 |
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| SMILES | CCCCC/C=C\C/C=C\CCCCCCCC(=O)C[C@@H](O)COC(C)=O |
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Properties
| Molecular Formula | C23H40O4 |
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| Molecular Weight | 380.57 |
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| Exact Mass | 380.29266 |
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| Log P (ALogP) | 5.68 |
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| TPSA | 63.60 |
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| H-Bond Donors / Acceptors | 1 / 4 |
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| Rotatable Bonds | 18 |
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| Lipinski's Rule of 5 Violations | 1 |
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| QED Drug-likeness | 0.19 |
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| NP-likeness | 1.64 |
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Classification
| NP Pathway | Fatty acids |
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| NP Superclass | Fatty acyls |
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| NP Class | Fatty alcohols |
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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 alcohols |
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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.
