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Correlation between in silico and the classical study of seven compounds identified in Ageratum in which most of compounds have a positive correlation except for lycopsamine.
| Compounds | In silico methods | Classical methods | Therapy |
|---|---|---|---|
| Precocene I | + | + | Pain management, antidiabetes |
| Precocene II | + | + | Pain management, antidiabetes |
| VMDC | + | + | Pain management, antidiabetes |
| Beta-sitosterol | + | + | Anticancer |
| Stigmasterol | + | + | Anticancer |
| 5-Methoxynobiletin | + | + | Antibacterial agent |
| Lycopsamine | − | + | Antimalaria |
