TPCN01022
![[object Object]](../../static/browser_molecular_png/TPCN01022.png)
| Name | 5-epoxyalantolactone;5??-epoxyalantolactone |
| Molecular Formula | C15H20O3 |
| Molecular Weight | 248.32 |
| CAS Registry Number | 65563-75-9 |
| SMILES | C=C1C(=O)OC2CC3(C)CCCC(C)C34OC4C12 |
| Classify | Sesquiterpenoids |
Content
| Family | Species | Part | Content (%) | Reference | DOI |
|---|---|---|---|---|---|
| Asteraceae | Inula helenium | Roots | 0.003760% | Biol Pharm Bull 25(10): 1370-1372.(2002) | 10.1248/bpb.25.1370 |
| Asteraceae | Inula helenium | Roots | 0.000120% | Bioorganic Chemistry 114, (2021). | 10.1016/j.bioorg.2021.105066 |
Properties
| HBA | 3 | HBD | 0 |
| HeavyAtoms | 18 | AlogP | 2.45 |
| TPSA | 38.83 | RotatableBonds | 0 |
| FractionCSP3 | 0.80 | Rings | 4 |
| AromaticRings | 0 | AliphaticRings | 4 |