Systems Pharmacology Dissecting Holistic Medicine for Treatment of Complex Diseases: An Example Using Cardiocerebrovascular Diseases Treated by TCM

Table 1

Active compounds in Xinnaoxin Pill with corresponding pharmacokinetics parameters.

Number	Molecular name	Structure	OB	DL	HL	HIA	BBB	Herb
M01	Kaempferol		42.3	0.24	14.71	<70%	Y	R. rosea; L. chinense; H. rhamnoides
M02	Quercetin		42.41	0.28	14.22	<70%	Y	R. rosea; L. chinense; H. rhamnoides
M03	Rhodiosin_DG		37.86	0.27	14.72	<70%	N	R. rosea
M04	Rutin_DG		47.05	0.28	14.23	<70%	Y	R. rosea; H. rhamnoides
M05	(24R)-4alpha-Methyl-24-ethylcholesta-7,25-dien-3beta-yl acetate		46.36	0.84	8.25	≥70%	Y	L. chinense
M06	7-O-Methyl luteolin-6-C-beta-glucoside_DG		44.39	0.3	14.13	<70%	N	L. chinense
M07	Glycitein		50.48	0.24	16.32	≥70%	N	L. chinense
M08	Physcion-8-O-beta-D-gentiobioside_DG		80.77	0.27	30.98	<70%	N	L. chinense
M09	Mutatoxanthin		38.38	0.59	16.45	≥70%	N	L. chinense
M10	Astragalin_DG		64.34	0.24	14.74	<70%	N	H. rhamnoides
M11	Cholesteryl benzoate		48.08	0.84	8.12	≥70%	N	H. rhamnoides
M12	Isorhamnetin-3-O-β-rutinoside_DG		50.13	0.31	14.35	<70%	N	H. rhamnoides
M13	Kaempferol-3-glucoside_DG		41.91	0.24	14.75	<70%	N	H. rhamnoides
M14	Phosphatide		31.81	0.28	30.93	<70%	N	H. rhamnoides
M15	Vitamin K		47.6	0.65	28.4	≥70%	Y	H. rhamnoides
M16	Vitamin P_DG		48.07	0.27	15.62	<70%	Y	H. rhamnoides
M17	Qercetin-3-O-galactoside_DG		44.61	0.28	14.36	<70%	N	H. rhamnoides
M18	(−)-Epicatechin		35.78	0.77	16.33	<70%	Y	H. rhamnoides

represents the compounds that have been deglycosylated (DG); Y: Yes it is crossing BBB; N: Not crossing BBB.