2.
gallocatechin C15H14O7
306.27 g/mol
3.
Epicatechin C15H14O6 290.27 g/mol
Hasil dan Pembahasan
PASS Prediction
No Senyawa Kimia Aktifitas Biologis Pa Value Pi Value
Tumbuhan
gallocatechi 0.00
0.98 0.93 -0.29 0.49 0.42
n
Epicatechin 1.47 0.36 1.22 0.24 0.98 0.85
Hasil dan Pembahasan
Analisis ADME
Kelarutan Dalam Air
senyawa Class
Catechin Soluble
gallocatechin Soluble
Epicatechin Soluble
Farmakokinetik
Senyawa GI absorption P-gp substrate BBB permeant
Catechin High yes No
gallocatechin High No No
Epicatechin High yes No
Hasil dan Pembahasan
Analisis ADME
Kemiripan Obat
YES, MW ≤ 500 YES, 160≤ MW ≤ YES, TPSA ≤ YES, TPSA ≤ YES, 200 ≤ MW ≤
Catechin N or O ≤ 10 480 140 131.6 600, H-bond acc ≤ 0.55
NH or OH ≤ 5 10,H-Bond don ≤ 5
Yess, MW ≤ 500 YES, 160≤ MW ≤ YES, TPSA ≤ YES, TPSA ≤ NO, , 200 ≤ MW ≤
gallocatechin N or O ≤ 10 480 140 131.6 600, H-bond acc ≤ 0.55
NH or OH ≤ 5 10,H-Bond don ≤ 5
Yess, MW ≤ 500 YES, 160≤ MW ≤ YES, TPSA ≤ YES, TPSA ≤ YES, 200 ≤ MW ≤
Epicatechin N or O ≤ 10 480 140 131.6 600, H-bond acc ≤ 0.55
NH or OH ≤ 5 10,H-Bond don ≤ 5
Hasil dan Pembahasan
Analisis ADME
Kimia medis