TPCN01777
![[object Object]](../../static/browser_molecular_png/TPCN01777.png)
| Name | Estafiatone |
| Molecular Formula | C15H18O3 |
| Molecular Weight | 246.31 |
| CAS Registry Number | 77355-79-4 |
| SMILES | C=C1C(=O)OC2C1CCC(=C)C1CC(=O)C(C)C12 |
| Classify | Sesquiterpenoids |
Content
| Family | Species | Part | Content (%) | Reference | DOI |
|---|---|---|---|---|---|
| Asteraceae | Artemisia scoparia | Aerial parts | 0.000125% | Food Sci Biotechnol 25(6): 1701-1708.(2016) | 10.1007/s10068-016-0261-x |
Properties
| HBA | 3 | HBD | 0 |
| HeavyAtoms | 18 | AlogP | 2.28 |
| TPSA | 43.37 | RotatableBonds | 0 |
| FractionCSP3 | 0.60 | Rings | 3 |
| AromaticRings | 0 | AliphaticRings | 3 |