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COCONUT Compound
Anhydroverlotorin epoxide
CNP0146474.1 · C15H18O4 · View on COCONUT ↗
2D Structure
Identifiers
| Name | Anhydroverlotorin epoxide |
|---|---|
| IUPAC Name | (1~{S},2~{S},4~{R},11~{S})-4-methyl-8,12-dimethylene-3,14-dioxatricyclo[9.3.0.0^{2,4}]tetradecane-7,13-dione |
| COCONUT ID | CNP0146474.1 |
| InChIKey | UUOFEGCVQGJQAR-GZCFXPHUSA-N |
| InChI | InChI=1S/C15H18O4/c1-8-4-5-10-9(2)14(17)18-12(10)13-15(3,19-13)7-6-11(8)16/h10,12-13H,1-2,4-7H2,3H3/t10-,12-,13-,15+/m0/s1 |
| SMILES | C=C1CC[C@H]2C(=C)C(=O)O[C@@H]2[C@@H]2O[C@]2(C)CCC1=O |
Properties
| Molecular Formula | C15H18O4 |
|---|---|
| Molecular Weight | 262.30 |
| Exact Mass | 262.12051 |
| Log P (ALogP) | 1.94 |
| TPSA | 55.90 |
| H-Bond Donors / Acceptors | 0 / 4 |
| Rotatable Bonds | 0 |
| Lipinski's Rule of 5 Violations | 0 |
| QED Drug-likeness | 0.38 |
| NP-likeness | 3.56 |
Classification
| NP Pathway | Terpenoids |
|---|---|
| NP Superclass | Sesquiterpenoids |
| NP Class | Germacrane sesquiterpenoids |
| Chemical Superclass | Lipids and lipid-like molecules |
| Chemical Class | Prenol lipids |
| Chemical Subclass | Terpene lactones |
Reported in GR-MAPs Plants
| Tanacetum cinerariifolium | as “Tanacetum cinerariifolium (Trevir.) Sch. Bip.” in COCONUT |
|---|
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.