CNP0611606.0
CNP0611606.0 · C15H26O · View on COCONUT ↗
Identifiers
| COCONUT ID | CNP0611606.0 |
|---|
| InChIKey | UNQFOGJBEVERNF-UHFFFAOYSA-N |
|---|
| InChI | InChI=1S/C15H26O/c1-10(2)13-8-6-12(4)14-7-5-11(3)9-15(13,14)16/h10-11,13-14,16H,4-9H2,1-3H3 |
|---|
| SMILES | C=C1CCC(C(C)C)C2(O)CC(C)CCC12 |
|---|
Properties
| Molecular Formula | C15H26O |
|---|
| Molecular Weight | 222.37 |
|---|
| Exact Mass | 222.19837 |
|---|
| Log P (ALogP) | 3.78 |
|---|
| TPSA | 20.23 |
|---|
| H-Bond Donors / Acceptors | 1 / 1 |
|---|
| Rotatable Bonds | 1 |
|---|
| Lipinski's Rule of 5 Violations | 0 |
|---|
| QED Drug-likeness | 0.67 |
|---|
| NP-likeness | 2.55 |
|---|
Classification
| NP Pathway | Terpenoids |
|---|
| NP Superclass | Sesquiterpenoids |
|---|
| NP Class | Cadinane sesquiterpenoids |
|---|
| Chemical Superclass | |
|---|
| Chemical Class | |
|---|
| Chemical Subclass | |
|---|
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.
