CNP0247222.9
CNP0247222.9 · C20H40O · View on COCONUT ↗
Identifiers
| COCONUT ID | CNP0247222.9 |
|---|
| InChIKey | BOTWFXYSPFMFNR-HKWRFOASSA-N |
|---|
| InChI | InChI=1S/C20H40O/c1-17(2)9-6-10-18(3)11-7-12-19(4)13-8-14-20(5)15-16-21/h15,17-19,21H,6-14,16H2,1-5H3/b20-15- |
|---|
| SMILES | C/C(=C/CO)CCCC(C)CCCC(C)CCCC(C)C |
|---|
Properties
| Molecular Formula | C20H40O |
|---|
| Molecular Weight | 296.54 |
|---|
| Exact Mass | 296.30792 |
|---|
| Log P (ALogP) | 6.36 |
|---|
| TPSA | 20.23 |
|---|
| H-Bond Donors / Acceptors | 1 / 1 |
|---|
| Rotatable Bonds | 13 |
|---|
| Lipinski's Rule of 5 Violations | 1 |
|---|
| QED Drug-likeness | 0.39 |
|---|
| NP-likeness | 1.53 |
|---|
Classification
| NP Pathway | Terpenoids |
|---|
| NP Superclass | Diterpenoids |
|---|
| NP Class | Phytane diterpenoids |
|---|
| 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.
