TPCN02188
![[object Object]](../../static/browser_molecular_png/TPCN02188.png)
| Name | Ballonigrinone |
| Molecular Formula | C20H22O5 |
| Molecular Weight | 342.39 |
| CAS Registry Number | 62340-63-0 |
| SMILES | CC1=C(CCc2ccoc2)C2(C)CCC(=O)C3(C)C(=O)OC(C1=O)C23 |
| Classify | Diterpenoids |
Content
| Family | Species | Part | Content (%) | Reference | DOI |
|---|---|---|---|---|---|
| Lamiaceae | Ballota undulata | Aerial parts | 0.008750% | Magn Reson Chem 45, 899-901 (2007). | 10.1002/mrc.2050 |
Properties
| HBA | 5 | HBD | 0 |
| HeavyAtoms | 25 | AlogP | 3.03 |
| TPSA | 73.58 | RotatableBonds | 3 |
| FractionCSP3 | 0.55 | Rings | 4 |
| AromaticRings | 1 | AliphaticRings | 3 |