TPCN00968
![[object Object]](../../static/browser_molecular_png/TPCN00968.png)
| Name | Nootkatone |
| Molecular Formula | C15H22O |
| Molecular Weight | 218.34 |
| CAS Registry Number | 4674-50-4 |
| SMILES | C=C(C)C1CCC2=CC(=O)CC(C)C2(C)C1 |
| Classify | Sesquiterpenoids |
Content
| Family | Species | Part | Content (%) | Reference | DOI |
|---|---|---|---|---|---|
| Zingiberaceae | Alpinia oxyphylla | Fruits | 0.005960% | J Agric Food Chem 48(8): 3639-3641.(2000) | 10.1021/jf000325z |
Properties
| HBA | 1 | HBD | 0 |
| HeavyAtoms | 16 | AlogP | 3.90 |
| TPSA | 17.07 | RotatableBonds | 1 |
| FractionCSP3 | 0.67 | Rings | 2 |
| AromaticRings | 0 | AliphaticRings | 2 |