In silico ADMET properties of curcuminoids.
Compound name | Solubility | BBB | CPY2D6 | Hepatotoxic | HIA | Alog p_98 | PSA |
---|---|---|---|---|---|---|---|
Keto-curcumin | 3 | 3 | NI | NT | 0 | 3.554 | 94.092 |
Dihydrocurcumin | 3 | 3 | NI | NT | 0 | 3.577 | 94.092 |
Octahydrocurcumin | 3 | 4 | NI | NT | 0 | 3.427 | 101.12 |
Tetrahydrocurcumin | 3 | 3 | NI | NT | 0 | 3.6 | 94.092 |
Alpha-turmerone | 2 | 0 | NI | NT | 0 | 4.079 | 17.3 |
Beta-turmerone | 2 | 0 | NI | NT | 0 | 4.133 | 17.3 |
Bisdemethoxycurcumin | 3 | 2 | NI | NT | 0 | 3.587 | 76.232 |
Hexahydrocurcumin | 3 | 3 | NI | NT | 0 | 3.5 | 97.607 |
Demethoxycurcumin | 3 | 2 | NI | NT | 0 | 3.57 | 85.162 |
Cyclocurcumin | 3 | 2 | NI | NT | 0 | 3.213 | 85.722 |
Curcumin glucuronide | 3 | 4 | NI | NT | 3 | 1.752 | 191.7 |
Enol-curcumin | 3 | 4 | NI | NT | 0 | 3.573 | 97.607 |
Ar-turmerone | 2 | 0 | NI | NT | 0 | 4.335 | 17.3 |
Hexahydroxycurcuminol | 3 | 4 | NI | NT | 0 | 3.427 | 101.12 |