CNP0233443.2
CNP0233443.2 · C15H26O2 · View on COCONUT ↗
Identifiers
| COCONUT ID | CNP0233443.2 |
|---|
| InChIKey | CVSWGLSBJFKWMW-SDNWHVSQSA-N |
|---|
| InChI | InChI=1S/C15H26O2/c1-5-6-10-15(16)17-12-11-14(4)9-7-8-13(2)3/h8,11H,5-7,9-10,12H2,1-4H3/b14-11+ |
|---|
| SMILES | CCCCC(=O)OC/C=C(\C)CCC=C(C)C |
|---|
Properties
| Molecular Formula | C15H26O2 |
|---|
| Molecular Weight | 238.37 |
|---|
| Exact Mass | 238.19328 |
|---|
| Log P (ALogP) | 4.41 |
|---|
| TPSA | 26.30 |
|---|
| H-Bond Donors / Acceptors | 0 / 2 |
|---|
| Rotatable Bonds | 8 |
|---|
| Lipinski's Rule of 5 Violations | 0 |
|---|
| QED Drug-likeness | 0.46 |
|---|
| NP-likeness | 1.73 |
|---|
Classification
| NP Pathway | Fatty acids |
|---|
| NP Superclass | Fatty esters |
|---|
| NP Class | Wax monoesters |
|---|
| 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.
