TPCN02165
![[object Object]](../../static/browser_molecular_png/TPCN02165.png)
| Name | Alloalantolactone |
| Molecular Formula | C15H20O2 |
| Molecular Weight | 232.32 |
| CAS Registry Number | 64340-41-6 |
| SMILES | C=C1C(=O)OC2CC3(C)CCCC(C)=C3CC12 |
| Classify | Sesquiterpenoids |
Content
| Family | Species | Part | Content (%) | Reference | DOI |
|---|---|---|---|---|---|
| Asteraceae | Inula helenium | Roots | 0.000100% | Bioorganic Chemistry 114, (2021). | 10.1016/j.bioorg.2021.105066 |
Properties
| HBA | 2 | HBD | 0 |
| HeavyAtoms | 17 | AlogP | 3.38 |
| TPSA | 26.30 | RotatableBonds | 0 |
| FractionCSP3 | 0.67 | Rings | 3 |
| AromaticRings | 0 | AliphaticRings | 3 |