Table 5 Medicinal analysis of top metabolites performed with the Swiss ADME server.
Sr No. | Metabolite name | PAINS | Brenk | Leadlikeness | Synthetic accessibility |
|---|---|---|---|---|---|
1. | 8-O-4-dehydrodiferulic acid | 0 alert | 2 alerts acyclic_C = C-O, michael_acceptor_1 | No; 2 violations: MW > 350, Rotors > 7 | 3.17 |
2. | Emerixanthone B | 0 alert | 2 alerts: isolated_alkene, polycyclic_aromatic_hydrocarbon_2 | No; 2 violations: MW > 350, XLOGP3 > 3.5 | 4.99 |
3. | Trichaspside B | 0 alert | 1 alert: isolated_alkene | No; 2 violations: MW > 350, Rotors > 7 | 5.78 |
4. | Emerixanthone A | 0 alert | 3 alerts: alkyl_halide, isolated_alkene, polycyclic_aromatic_hydrocarbon_2 | No; 2 violations: MW > 350, XLOGP3 > 3.5 | 5.09 |
5. | Tajixanthone hydrate | 0 alert | 2 alerts: isolated_alkene, polycyclic_aromatic_hydrocarbon_2 | No; 2 violations: MW > 350, XLOGP3 > 3.5 | 5.11 |
6. | Trichaspside A | 0 alert | 1 alert: isolated_alkene LeadlikenessNo; 2 violations: MW > 350, Rotors > 7 | No; 2 violations: MW > 350, Rotors > 7 | 5.89 |
7. | Aspergixanthone–K | 0 alert | 2 alerts: isolated_alkene, polycyclic_aromatic_hydrocarbon_2 | No; 2 violations: MW > 350, XLOGP3 > 3.5 | 5.34 |
