TPCN02157
![[object Object]](../../static/browser_molecular_png/TPCN02157.png)
| Name | 1??-hydroxy-11,13-dihydroisoalantolactone |
| Molecular Formula | C15H22O3 |
| Molecular Weight | 250.34 |
| CAS Registry Number | 1252684-70-0 |
| SMILES | C=C1CCC(O)C2(C)CC3OC(=O)C(C)C3CC12 |
| Classify | Sesquiterpenoids |
Content
| Family | Species | Part | Content (%) | Reference | DOI |
|---|---|---|---|---|---|
| Asteraceae | Inula helenium | Roots | 0.000047% | Bioorganic Chemistry 114, (2021). | 10.1016/j.bioorg.2021.105066 |
Properties
| HBA | 3 | HBD | 1 |
| HeavyAtoms | 18 | AlogP | 2.29 |
| TPSA | 46.53 | RotatableBonds | 0 |
| FractionCSP3 | 0.80 | Rings | 3 |
| AromaticRings | 0 | AliphaticRings | 3 |