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COCONUT Compound
Eurycolactone F
CNP0396954.1 · C21H28O8 · View on COCONUT ↗
2D Structure
Identifiers
| Name | Eurycolactone F |
|---|---|
| IUPAC Name | [(1~{R},2~{R},3~{S},7~{S},8~{R},9~{S},12~{S},13~{R},14~{R},15~{R},16~{R})-3,14,15-trihydroxy-2,6,13,16-tetramethyl-4,11-dioxo-10-oxatetracyclo[7.6.1.0^{2,7}.0^{12,16}]hexadec-5-en-8-yl] acetate |
| COCONUT ID | CNP0396954.1 |
| InChIKey | ISBJOLOXURAMQV-KGZQRRCKSA-N |
| InChI | InChI=1S/C21H28O8/c1-7-6-10(23)17(26)20(4)11(7)15(28-9(3)22)18-21(5)12(19(27)29-18)8(2)13(24)14(25)16(20)21/h6,8,11-18,24-26H,1-5H3/t8-,11-,12-,13-,14+,15-,16-,17-,18-,20+,21+/m1/s1 |
| SMILES | CC(=O)O[C@H]1[C@H]2OC(=O)[C@H]3[C@@H](C)[C@@H](O)[C@H](O)[C@H]([C@@]4(C)[C@H](O)C(=O)C=C(C)[C@H]14)[C@@]23C |
Properties
| Molecular Formula | C21H28O8 |
|---|---|
| Molecular Weight | 408.45 |
| Exact Mass | 408.17842 |
| Log P (ALogP) | -0.02 |
| TPSA | 130.36 |
| H-Bond Donors / Acceptors | 3 / 8 |
| Rotatable Bonds | 1 |
| Lipinski's Rule of 5 Violations | 0 |
| QED Drug-likeness | 0.52 |
| NP-likeness | 3.19 |
Classification
| NP Pathway | Terpenoids |
|---|---|
| NP Superclass | Triterpenoids |
| NP Class | Quassinoids |
| Chemical Superclass | Lipids and lipid-like molecules |
| Chemical Class | Prenol lipids |
| Chemical Subclass | Terpene lactones |
Reported in GR-MAPs Plants
| Vitex negundo | as “Vitex negundo” in COCONUT |
|---|
References (1)
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.