×
![]()
COCONUT Compound
Cyclodeca(b)furan-2(3H)-one, 3a,4,5,6,7,8,9,11a-octahydro-7,9-dihydroxy-10-methyl-3,6-bis(methylene)-, (3aS-(3aR*,7S*,9R*,10E,11aS*))-
CNP0177403.2 · C15H20O4 · View on COCONUT ↗
2D Structure
Identifiers
| Name | Cyclodeca(b)furan-2(3H)-one, 3a,4,5,6,7,8,9,11a-octahydro-7,9-dihydroxy-10-methyl-3,6-bis(methylene)-, (3aS-(3aR*,7S*,9R*,10E,11aS*))- |
|---|---|
| IUPAC Name | (3~{a}~{S},7~{R},9~{S},10~{Z},11~{a}~{R})-7,9-dihydroxy-10-methyl-3,6-dimethylene-4,5,7,8,9,11~{a}-hexahydro-3~{a}~{H}-cyclodeca[b]furan-2-one |
| COCONUT ID | CNP0177403.2 |
| InChIKey | KQCHEWVHXSAJIA-ISMVJUEGSA-N |
| InChI | InChI=1S/C15H20O4/c1-8-4-5-11-10(3)15(18)19-14(11)6-9(2)13(17)7-12(8)16/h6,11-14,16-17H,1,3-5,7H2,2H3/b9-6-/t11-,12+,13-,14+/m0/s1 |
| SMILES | C=C1CC[C@H]2C(=C)C(=O)O[C@@H]2/C=C(/C)[C@@H](O)C[C@H]1O |
Properties
| Molecular Formula | C15H20O4 |
|---|---|
| Molecular Weight | 264.32 |
| Exact Mass | 264.13616 |
| Log P (ALogP) | 1.49 |
| TPSA | 66.76 |
| H-Bond Donors / Acceptors | 2 / 4 |
| Rotatable Bonds | 0 |
| Lipinski's Rule of 5 Violations | 0 |
| QED Drug-likeness | 0.40 |
| NP-likeness | 3.32 |
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 |
|---|
References (4)
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.