TPCN02348
![[object Object]](../../static/browser_molecular_png/TPCN02348.png)
| Name | Vitexilactone |
| Molecular Formula | C22H34O5 |
| Molecular Weight | 378.51 |
| CAS Registry Number | 61263-49-8 |
| SMILES | CC(=O)OC1CC(C)C(O)(CCC2=CC(=O)OC2)C2(C)CCCC(C)(C)C12 |
| Classify | Diterpenoids |
Content
| Family | Species | Part | Content (%) | Reference | DOI |
|---|---|---|---|---|---|
| Verbenaceae | Vitex negundo | Leaves | 0.002273% | Nat Prod Res, 1-6 (2019). | 10.1080/14786419.2019.1672687 |
| Verbenaceae | Vitex agnus-castus | Fruits | 0.000201% | Chem Pharm Bull (Tokyo) 59, 392-396 (2011). | 10.1248/cpb.59.392 |
Properties
| HBA | 5 | HBD | 1 |
| HeavyAtoms | 27 | AlogP | 3.79 |
| TPSA | 72.83 | RotatableBonds | 4 |
| FractionCSP3 | 0.82 | Rings | 3 |
| AromaticRings | 0 | AliphaticRings | 3 |