TPCN02153
![[object Object]](../../static/browser_molecular_png/TPCN02153.png)
| Name | Isoscabertopin |
| Molecular Formula | C20H22O6 |
| Molecular Weight | 358.39 |
| CAS Registry Number | 439923-16-7 |
| SMILES | C=C1C(=O)OC2C=C(C)CC3C=C(CC(OC(=O)C(C)=CC)C12)C(=O)O3 |
| Classify | Sesquiterpenoids |
Content
| Family | Species | Part | Content (%) | Reference | DOI |
|---|---|---|---|---|---|
| Asteraceae | Elephantopus scaber | Whole plants | 0.000121% | Bioorganic Chemistry 104, (2020). | 10.1016/j.bioorg.2020.104314 |
Properties
| HBA | 6 | HBD | 0 |
| HeavyAtoms | 26 | AlogP | 2.55 |
| TPSA | 78.90 | RotatableBonds | 2 |
| FractionCSP3 | 0.45 | Rings | 3 |
| AromaticRings | 0 | AliphaticRings | 3 |