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. 2020 Aug 25;10(52):31385–31399. doi: 10.1039/d0ra03167d

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