TPCN01186
![[object Object]](../../static/browser_molecular_png/TPCN01186.png)
| Name | Ivalin |
| Molecular Formula | C15H20O3 |
| Molecular Weight | 248.32 |
| CAS Registry Number | 5938-03-4 |
| SMILES | C=C1C(=O)OC2CC3(C)CC(O)CC(=C)C3CC12 |
| Classify | Sesquiterpenoids |
Content
| Family | Species | Part | Content (%) | Reference | DOI |
|---|---|---|---|---|---|
| Asteraceae | Carpesium abrotanoides | Aerial parts | 0.001500% | Planta Med 68(8): 745-747.(2002) | 10.1055/s-2002-33789 |
| Asteraceae | Carpesium abrotanoides | Whole plants | 0.000043% | Natural Product Research, (2021). | 10.1080/14786419.2021.1955881 |
Properties
| HBA | 3 | HBD | 1 |
| HeavyAtoms | 18 | AlogP | 2.21 |
| TPSA | 46.53 | RotatableBonds | 0 |
| FractionCSP3 | 0.67 | Rings | 3 |
| AromaticRings | 0 | AliphaticRings | 3 |