TPCN01730
![[object Object]](../../static/browser_molecular_png/TPCN01730.png)
| Name | Xanthatin |
| Molecular Formula | C15H18O3 |
| Molecular Weight | 246.31 |
| CAS Registry Number | 26791-73-1 |
| SMILES | C=C1C(=O)OC2CC(C)C(C=CC(C)=O)=CCC12 |
| Classify | Sesquiterpenoids |
Content
| Family | Species | Part | Content (%) | Reference | DOI |
|---|---|---|---|---|---|
| Asteraceae | Xanthium sibiricum | Aerial parts | 0.000163% | Planta Med 79(8): 661-665.(2013) | 10.1055/s-0032-1328482 |
Properties
| HBA | 3 | HBD | 0 |
| HeavyAtoms | 18 | AlogP | 2.59 |
| TPSA | 43.37 | RotatableBonds | 2 |
| FractionCSP3 | 0.47 | Rings | 2 |
| AromaticRings | 0 | AliphaticRings | 2 |