TPCN00835
![[object Object]](../../static/browser_molecular_png/TPCN00835.png)
| Name | Isoalantolactone |
| Molecular Formula | C15H20O2 |
| Molecular Weight | 232.32 |
| CAS Registry Number | 470-17-7 |
| SMILES | C=C1C(=O)OC2CC3(C)CCCC(=C)C3CC12 |
| Classify | Sesquiterpenoids |
Content
| Family | Species | Part | Content (%) | Reference | DOI |
|---|---|---|---|---|---|
| Asteraceae | Inula helenium | Roots | 0.055333% | Biol Pharm Bull 25(10): 1370-1372.(2002) | 10.1248/bpb.25.1370 |
| Asteraceae | Saussurea lappa | Whole plants | 0.012740% | J Ethnopharmacol 155(2): 1393-1397.(2014) | 10.1016/j.jep.2014.07.037 |
Properties
| HBA | 2 | HBD | 0 |
| HeavyAtoms | 17 | AlogP | 3.24 |
| TPSA | 26.30 | RotatableBonds | 0 |
| FractionCSP3 | 0.67 | Rings | 3 |
| AromaticRings | 0 | AliphaticRings | 3 |