TPCN01158
![[object Object]](../../static/browser_molecular_png/TPCN01158.png)
| Name | 11,13-dihydroisoalantolactone;11alpha,13-dihydroisoalantolactone |
| Molecular Formula | C15H22O2 |
| Molecular Weight | 234.34 |
| CAS Registry Number | 1856-58-2 |
| SMILES | C=C1CCCC2(C)CC3OC(=O)C(C)C3CC12 |
| Classify | Sesquiterpenoids |
Content
| Family | Species | Part | Content (%) | Reference | DOI |
|---|---|---|---|---|---|
| Asteraceae | Inula helenium | Roots | 0.001693% | Biol Pharm Bull 25(10): 1370-1372.(2002) | 10.1248/bpb.25.1370 |
| Asteraceae | Inula helenium | Roots | 0.000107% | Bioorganic Chemistry 114, (2021). | 10.1016/j.bioorg.2021.105066 |
Properties
| HBA | 2 | HBD | 0 |
| HeavyAtoms | 17 | AlogP | 3.32 |
| TPSA | 26.30 | RotatableBonds | 0 |
| FractionCSP3 | 0.80 | Rings | 3 |
| AromaticRings | 0 | AliphaticRings | 3 |