TPCN02760
![[object Object]](../../static/browser_molecular_png/TPCN02760.png)
| Name | Isodomedin |
| Molecular Formula | C22H32O6 |
| Molecular Weight | 392.49 |
| CAS Registry Number | 39388-61-9 |
| SMILES | C=C1C(=O)C23C(O)CC4C(C)(C)C(OC(C)=O)CC(O)C4(C)C2CCC1C3O |
| Classify | Diterpenoids |
Content
| Family | Species | Part | Content (%) | Reference | DOI |
|---|---|---|---|---|---|
| Lamiaceae | Isodon inflexus | Aerial parts | 0.000300% | Nat Prod Res 30, 995-1000 (2016). | 10.1080/14786419.2015.1094803 |
Properties
| HBA | 6 | HBD | 3 |
| HeavyAtoms | 28 | AlogP | 1.61 |
| TPSA | 104.06 | RotatableBonds | 1 |
| FractionCSP3 | 0.82 | Rings | 4 |
| AromaticRings | 0 | AliphaticRings | 4 |