TPCN02935
![[object Object]](../../static/browser_molecular_png/TPCN02935.png)
| Name | Danshenspiroketallactone |
| Molecular Formula | C17H16O3 |
| Molecular Weight | 268.31 |
| CAS Registry Number | 100414-80-0 |
| SMILES | Cc1cccc2c3c(ccc12)C1(CC(C)CO1)OC3=O |
| Classify | Diterpenoids |
Content
| Family | Species | Part | Content (%) | Reference | DOI |
|---|---|---|---|---|---|
| Lamiaceae | Salvia digitaloides | Roots | 0.000157% | J Agric Food Chem 58, 12157-12161 (2010). | 10.1021/jf103366g |
Properties
| HBA | 3 | HBD | 0 |
| HeavyAtoms | 20 | AlogP | 3.53 |
| TPSA | 35.53 | RotatableBonds | 0 |
| FractionCSP3 | 0.35 | Rings | 4 |
| AromaticRings | 2 | AliphaticRings | 2 |