TPCN01614
![[object Object]](../../static/browser_molecular_png/TPCN01614.png)
| Name | 8-epi-xanthatin-1??,5??-epoxide |
| Molecular Formula | C15H18O4 |
| Molecular Weight | 262.31 |
| CAS Registry Number | 1609193-52-3 |
| SMILES | C=C1C(=O)OC2CC(C)C3(C=CC(C)=O)OC3CC12 |
| Classify | Sesquiterpenoids |
Content
| Family | Species | Part | Content (%) | Reference | DOI |
|---|---|---|---|---|---|
| Asteraceae | Xanthium sibiricum | Aerial parts | 0.000265% | Planta Med 79(8): 661-665.(2013) | 10.1055/s-0032-1328482 |
Properties
| HBA | 4 | HBD | 0 |
| HeavyAtoms | 19 | AlogP | 1.80 |
| TPSA | 55.90 | RotatableBonds | 2 |
| FractionCSP3 | 0.60 | Rings | 3 |
| AromaticRings | 0 | AliphaticRings | 3 |