CNP0358604.2
CNP0358604.2 · C14H22O · View on COCONUT ↗
Identifiers
| COCONUT ID | CNP0358604.2 |
|---|
| InChIKey | QGRQKLHZONWMTM-FRRDWIJNSA-N |
|---|
| InChI | InChI=1S/C14H22O/c1-6-11-7-8-12(9(2)3)14(15)13(11)10(4)5/h6,9,11-13H,1,4,7-8H2,2-3,5H3/t11-,12+,13-/m1/s1 |
|---|
| SMILES | C=C[C@@H]1CC[C@@H](C(C)C)C(=O)[C@@H]1C(=C)C |
|---|
Properties
| Molecular Formula | C14H22O |
|---|
| Molecular Weight | 206.33 |
|---|
| Exact Mass | 206.16707 |
|---|
| Log P (ALogP) | 3.62 |
|---|
| TPSA | 17.07 |
|---|
| H-Bond Donors / Acceptors | 0 / 1 |
|---|
| Rotatable Bonds | 3 |
|---|
| Lipinski's Rule of 5 Violations | 0 |
|---|
| QED Drug-likeness | 0.64 |
|---|
| NP-likeness | 1.90 |
|---|
Classification
| NP Pathway | Terpenoids |
|---|
| NP Superclass | Sesquiterpenoids |
|---|
| NP Class | Elemane 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.
