Table 3 ADME profile for the top five phenolics
From: In silico ranking of phenolics for therapeutic effectiveness on cancer stem cells
Phenolic | Water solubility log(mol/L) | Caco-2 permeability 106Â cm/s | Intestinal Absorption (human) % absorbed | Skin permeability | BBB permeability | CNS permeability | Max. dose (human) log mg/day | Hepato-toxicity | Skin sensation | T. Pyri-formis toxicity log ug/L | Minnow toxicity log mM |
|---|---|---|---|---|---|---|---|---|---|---|---|
Area logKp | logBB | logPS | |||||||||
Resveratrol | − 3.192 | 1.191 | 89.057 | − 3.16 | − 0.041 | − 2.098 | 0.486 | No | No | 1.072 | 0.342 |
Curcumin | − 4.208 | 0.55 | 85.652 | − 2.744 | − 0.992 | − 2.959 | − 0.219 | No | No | 0.372 | − 0.631 |
Quercetin | − 3.17 | 0.162 | 74.535 | − 2.735 | − 1.461 | − 3.374 | 0.983 | No | No | 0.317 | 0.943 |
Epigallocate-chin gallate | − 2.893 | − 0.721 | 58.337 | − 2.735 | − 2.363 | − 4.407 | 0.473 | No | No | 0.285 | 3.239 |
Genistein | − 3.415 | 1.019 | 93.39 | − 2.737 | − 0.979 | − 2.156 | 0.709 | No | No | 0.528 | 5.12 |