TPCN02223
![[object Object]](../../static/browser_molecular_png/TPCN02223.png)
| Name | Vitexnegundin;Vitexnegundin? |
| Molecular Formula | C22H34O5 |
| Molecular Weight | 378.51 |
| CAS Registry Number | 2585664-62-4 |
| SMILES | CC(=O)OC1CC(C)C2(CCC3(COC(=O)C3)O2)C2(C)CCCC(C)(C)C12 |
| Classify | Diterpenoids |
Content
| Family | Species | Part | Content (%) | Reference | DOI |
|---|---|---|---|---|---|
| Verbenaceae | Vitex negundo | Leaves | 0.006400% | Nat Prod Res, 1-6 (2019). | 10.1080/14786419.2019.1672687 |
| Verbenaceae | Vitex negundo | Leaves | 0.006400% | Natural Product Research, 35(14), 2329-2334 | 10.1080/14786419.2019.1672687 |
Properties
| HBA | 5 | HBD | 0 |
| HeavyAtoms | 27 | AlogP | 4.03 |
| TPSA | 61.83 | RotatableBonds | 1 |
| FractionCSP3 | 0.91 | Rings | 4 |
| AromaticRings | 0 | AliphaticRings | 4 |