TPCN02276
![[object Object]](../../static/browser_molecular_png/TPCN02276.png)
| Name | 13-hydroxy-5(10),14-halimadien-6-one |
| Molecular Formula | C20H32O2 |
| Molecular Weight | 304.47 |
| CAS Registry Number | 1449327-07-4 |
| SMILES | C=CC(C)(O)CCC1(C)C2=C(C(=O)CC1C)C(C)(C)CCC2 |
| Classify | Diterpenoids |
Content
| Family | Species | Part | Content (%) | Reference | DOI |
|---|---|---|---|---|---|
| Verbenaceae | Vitex negundo | Leaves | 0.003545% | Nat Prod Res, 1-6 (2019). | 10.1080/14786419.2019.1672687 |
Properties
| HBA | 2 | HBD | 1 |
| HeavyAtoms | 22 | AlogP | 4.83 |
| TPSA | 37.30 | RotatableBonds | 4 |
| FractionCSP3 | 0.75 | Rings | 2 |
| AromaticRings | 0 | AliphaticRings | 2 |