TPCN01120
![[object Object]](../../static/browser_molecular_png/TPCN01120.png)
| Name | 4,11(12)-guiadiene-1-ol-3-one |
| Molecular Formula | C15H22O2 |
| Molecular Weight | 234.34 |
| CAS Registry Number | 2758914-41-7 |
| SMILES | C=C(C)C1CCC(C)C2(O)CC(=O)C(C)=C2C1 |
| Classify | Sesquiterpenoids |
Content
| Family | Species | Part | Content (%) | Reference | DOI |
|---|---|---|---|---|---|
| Thymelaeaceae | Daphne mucronata | Stems | 0.002156% | DARU Journal of Pharmaceutical Sciences (2020) 28:253–262(2020) | 10.1007/s40199-020-00336-x |
Properties
| HBA | 2 | HBD | 1 |
| HeavyAtoms | 17 | AlogP | 3.02 |
| TPSA | 37.30 | RotatableBonds | 1 |
| FractionCSP3 | 0.67 | Rings | 2 |
| AromaticRings | 0 | AliphaticRings | 2 |