×
![]()
COCONUT Compound
10-epi-italicene ether
CNP0372070.1 · C15H24O · View on COCONUT ↗
2D Structure
Identifiers
| Name | 10-epi-italicene ether |
|---|---|
| IUPAC Name | (1~{R},3~{a}~{R},9~{a}~{S})-1,4,4,7-tetramethyl-2,3,3~{a},5~{a},8,9-hexahydro-1~{H}-cyclopenta[c]benzofuran |
| COCONUT ID | CNP0372070.1 |
| InChIKey | JGKMDLIITSKWAD-VSUHMYSYSA-N |
| InChI | InChI=1S/C15H24O/c1-10-7-8-15-11(2)5-6-12(15)14(3,4)16-13(15)9-10/h9,11-13H,5-8H2,1-4H3/t11-,12+,13?,15+/m1/s1 |
| SMILES | CC1=CC2OC(C)(C)[C@@H]3CC[C@@H](C)[C@]23CC1 |
Properties
| Molecular Formula | C15H24O |
|---|---|
| Molecular Weight | 220.36 |
| Exact Mass | 220.18272 |
| Log P (ALogP) | 3.94 |
| TPSA | 9.23 |
| H-Bond Donors / Acceptors | 0 / 1 |
| Rotatable Bonds | 0 |
| Lipinski's Rule of 5 Violations | 0 |
| QED Drug-likeness | 0.56 |
| NP-likeness | 3.06 |
Classification
| NP Pathway | Terpenoids |
|---|---|
| NP Superclass | Sesquiterpenoids |
| NP Class | Acorane sesquiterpenoids |
| Chemical Superclass | Organoheterocyclic compounds |
| Chemical Class | Tetrahydrofurans |
| Chemical Subclass | Tetrahydrofurans |
Reported in GR-MAPs Plants
| Daucus carota | as “Daucus carota” 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.