Predicted pharmacokinetic and pharmacodynamics parameters of the separated compounds^a.

Compound	Lipinski's rule (rule of five)				Value	PreADMET prediction
	MW	Log P	HBD	HBA		BBB	PPB	MolPSA	HIA	Caco-2 value	Skin permeability	pKa	Drug-likeness score
4; flavanone	448.14	0.19	5	10	Suitable	0.036	64.54	124.24 A2	61.51	7.17	−4.56	<0./9.80	0.34
Aglycone of 4	386.08	2.51	2	5	Suitable	0.122	94.84	62.00 A2	92.75	12.82	−3.42	<0./8.45	0.69
3; chalcone	448.14	0.55	6	10	Suitable	0.039	74.55	134.87 A2	49.69	12.24	−3.89	<0./9.72	0.56
Aglycone of 3	286.08	2.86	3	5	Suitable	0.69	93.71	72.63 A2	88.52	18.51	−3.39	<0./8.06	0.10
S isomer of 2	272.07	2.38	3	5	Suitable	0.95	100.00	71.98 A2	87.31	10.52	−4.18	<0./8.29	0.82
1	292.17	5.08	1	4	Suitable	2.35	91.71	44.87 A2	95.44	46.70	−1.33	<0./9.69	−0.51

^aHBD, hydrogen bond donor; HBA, hydrogen bond acceptor; BBB, blood brain barrier; PPB, plasma protein binding; HIA, percentage human intestinal absorption; MolPSA (molecular polar surface area (PSA); Caco-2 value, permeability to Caco-2 (human colorectal carcinoma) cells in vitro.