Systems Pharmacology-Based Approach to Comparatively Study the Independent and Synergistic Mechanisms of Danhong Injection and Naoxintong Capsule in Ischemic Stroke Treatment

Table 1

The detailed information of candidate ingredients in DHI and NXT.

ID	Source	Compound	CAS	OB ()	Caco-2	DL
D1	DHI	p-Hydroxybenzoic acid-O-glucoside	N/A	42.9	-1.22	0.20
D2	DHI	5-Hydroxymethylfurfural	67-47-0	45.07	0.05	0.02
D3	DHI	Danshensu	76822-21-4	36.91	-0.27	0.06
D4	DHI	Protocatechuic acid	99-50-3	25.37	0.10	0.04
D5	DHI	Neochlorogenic acid	906-33-2	18.05	-1.37	0.33
D6	DHI	Dihydrocaffeic acid	71693-95-3	32.79	0.25	0.05
D7	DHI	Protocatechuic aldehyde	139-85-5	38.35	0.43	0.03
D8	DHI	Syringin	118-34-3	14.64	-1.01	0.32
D9	DHI	Chlorogenic acid	202650-88-2	11.93	-1.03	0.33
D10	DHI	Hydroxysafflor yellow A	78281-02-4	3.53	-3.03	0.68
D11	DHI	Cryptochlorogenic acid	905-99-7	24.5	-1.43	0.33
D12	DHI	Ferulic acid	537-98-4	39.56	0.47	0.06
D13	DHI	Caffeic acid	501-16-6	25.76	0.21	0.05
D14	DHI	Roseoside	54835-70-0	10.81	-1.25	0.36
D15	DHI	Sweroside	14215-86-2	4.96	-1.08	0.38
D16	DHI	Morroniside	25406-64-8	13.86	-2.01	0.50
D17	DHI	p-Coumaric acid	7400-08-0	43.29	0.46	0.04
D18	DHI	Eriocitrin	13463-28-0	4.52	-2.23	0.7
D19	DHI	Rutin	153-18-4	3.2	-1.93	0.68
D20	DHI	Salvianolic acid I	153765-45-8	N/A	N/A	N/A
D21	DHI	Salvianolic acid J	N/A	43.38	-0.82	0.72
D22	DHI	Salviaflaside	178895-25-5	N/A	N/A	N/A
D23	DHI	Kaempferol-3-O-rutinoside	17650-84-9	3.64	-1.77	0.73
D24	DHI	Safflor yellow A	85532-77-0	22.75	-2.52	0.75
D25	DHI	Salvianolic acid D	142998-47-8	1.57	-0.78	0.50
D26	DHI	Salvianolic acid G	N/A	45.56	-0.14	0.61
D27	DHI	Salvianolic acid F	N/A	N/A	N/A	N/A
D28	DHI	Salvianolic acid E	N/A	3.01	-1.52	0.39
D29	DHI	Rosmarinic acid	20283-92-5	1.38	-0.54	0.35
D30	DHI	Lithospermic acid	28831-65-4	2.67	-1.07	0.76
D31	DHI	9′′-Methyl lithospermate B	N/A	3.01	-1.01	0.39
D32	DHI	Salvianolic acid B	115939-25-8	3.01	-1.67	0.41
D33	DHI	Salvianolic acid L	N/A	N/A	N/A	N/A
D34	DHI	Salvianolic acid A	96574-01-5	2.96	-0.56	0.7
D35	DHI	Salvianolic acid C	115841-09-3	2.5	-0.23	0.81
N1	NXT	Gallic acid	149-91-7	31.69	-0.09	0.04
N2	NXT	Mulberroside A	166734-06-1	13.34	-2.43	0.73
N3	NXT	Catechin	154-23-4	54.83	-0.03	0.24
N4	NXT	Chlorogenic acid	202650-88-2	11.93	-1.03	0.33
N5	NXT	Hydroxysafflor yellow A	78281-02-4	3.53	-3.03	0.68
N6	NXT	Vanillic acid	121-34-6	35.47	0.43	0.04
N7	NXT	Epicatechin	35323-91-2	48.96	0.02	0.24
N8	NXT	Albiflorin	39011-90-0	12.09	-1.54	0.77
N9	NXT	Rutin	153-18-4	3.2	-1.93	0.68
N10	NXT	Paeoniflorin	23180-57-6	53.87	-1.47	0.79
N11	NXT	Paeoniflorin_qt	23180-57-6	68.18	-0.34	0.40
N12	NXT	Ferulic acid	537-98-4	39.56	0.47	0.06
N13	NXT	Calycosin-7-O-glucoside	20633-67-4	5.49	-1.13	0.81
N14	NXT	Kaempferol-3-O-rutinoside	17650-84-9	3.64	-1.77	0.73
N15	NXT	Biochanin A	491-80-5	25.21	0.65	0.24
N16	NXT	Salvianolic acid B	115939-25-8	3.01	-1.67	0.41
N17	NXT	Ononin	486-62-4	11.52	-0.74	0.78
N18	NXT	Calycosin	20575-57-9	47.75	0.52	0.24
N19	NXT	Formononetin	485-72-3	69.67	0.78	0.21
N20	NXT	Senkyunolide A	63038-10-8	26.56	1.30	0.07
N21	NXT	Tanshinone II-B	17397-93-2	65.26	0.44	0.45
N22	NXT	Z-Butylidenephthalide	551-08-6	42.44	1.32	0.07
N23	NXT	(E)-ligustilide	4431-01-0	51.3	1.30	0.07
N24	NXT	(Z)-ligustilide	4431-01-0	23.5	1.28	0.07
N25	NXT	Cryptotanshinone	35825-57-1	52.34	0.95	0.40
N26	NXT	Tanshinone IIA	568-72-9	49.89	1.05	0.40
N27	NXT	Caffeic acid	501-16-6	25.76	0.21	0.05
N28	NXT	Amygdalin	29883-15-6	4.42	-1.91	0.61
N29	NXT	Rosmarinic acid	20283-92-5	1.38	-0.54	0.35
N30	NXT	Lithospermic acid	28831-65-4	2.67	-1.07	0.76
N31	NXT	Wogonin	632-85-9	30.68	0.79	0.23
N32	NXT	Senkyunolide H	94596-27-7	34.34	-0.02	0.10
N33	NXT	Neocnidilide	4567-33-3	83.83	1.23	0.07
N34	NXT	Mulberrin	19275-47-9	1.22	0.46	0.59
N35	NXT	Sugiol	511-05-7	36.11	1.14	0.28
N36	NXT	Lindestrene	2221-88-7	36.12	1.75	0.13
N37	NXT	(z)-9-Octadecenamide	301-02-0	31.2	1.26	0.14
N38	NXT	Senkyunolide B	93236-67-0	62.68	1.00	0.08
N39	NXT	Senkyunolide C	91652-78-7	46.8	0.87	0.08
N40	NXT	7-Hydroxycoumarin	93-35-6	27.37	0.74	0.05
N41	NXT	Pratensein	2284-31-3	39.06	0.39	0.28
N42	NXT	Astragaloside IV	83207-58-3	17.74	-2.22	0.15
N43	NXT	Astragaloside II	84676-89-1	46.06	-2.05	0.13
N44	NXT	Methyl tanshinonate	N/A	19.19	0.56	0.55
N45	NXT	Hydroxytanshinone IIA	18887-18-8	44.93	0.53	0.44
N46	NXT	Kumatakenin	3301-49-3	50.83	0.61	0.29
N47	NXT	Trijuganone B	126979-84-8	38.75	0.96	0.36
N48	NXT	Carthamidin	479-54-9	41.15	0.16	0.24
N49	NXT	Acetyl-11-keto-β-boswellic acid	67416-61-9	17.79	0.20	0.67
N50	NXT	Scopolin	531-44-2	25.5	-0.88	0.39
N51	NXT	Daidzoside	552-66-9	14.32	-1.00	0.73
N52	NXT	Ecdysterone	5289-74-7	5.3	-1.32	0.82
N53	NXT	Ethyl gallate	831-61-8	25.61	0.33	0.06
N54	NXT	Luteolin	491-70-3	36.16	0.19	0.25
N55	NXT	Safflor yellow A	85532-77-0	22.75	-2.52	0.75
N56	NXT	Scopoletin	92-61-5	27.77	0.71	0.08
N57	NXT	Luteolin-7-O-β-D-glucopyranoside	26811-41-6	7.29	-1.23	0.78
N58	NXT	Oxyresveratrol	4721/7/7	109.29	0.55	0.13
N59	NXT	Tanshindiol C	96839-30-4	42.85	-0.04	0.45
N60	NXT	Quercetin	117-39-5	46.43	0.05	0.28
N61	NXT	Tanshindiol B	97465-70-8	42.67	0.05	0.45
N62	NXT	Aloe emodin	481-72-1	83.38	-0.12	0.24
N63	NXT	Genistein	446-72-0	17.93	0.43	0.21
N64	NXT	Kaempferol	520-18-3	41.88	0.26	0.24
N65	NXT	Palbinone	139954-00-0	43.56	0.00	0.53
N66	NXT	Farrerol	24211-30-1	42.65	0.59	0.26
N67	NXT	Astragaloside I	84680-75-1	46.79	-2.28	0.11
N68	NXT	Danshenxinkun A	65907-75-7	45.64	0.48	0.30
N69	NXT	E-butylidenephthalide	551-08-6	53.72	1.30	0.07
N70	NXT	Dihydrotanshinone I	87205-99-0	45.04	0.95	0.36
N71	NXT	Furanodiene	19912-61-9	45.11	1.77	0.10
N72	NXT	Tanshinone I	568-73-0	29.27	1.05	0.36
N73	NXT	Cyclomulberrin	19275-51-5	9.84	0.72	0.84
N74	NXT	Miltirone	27210-57-7	38.76	1.23	0.25
N75	NXT	1,2-Dihydrotanshinone	77769-21-2	19.95	1.07	0.36
N76	NXT	Methyl gallate	99-24-1	30.91	0.26	0.05
N77	NXT	Taxifolin	480-18-2	57.84	-0.23	0.27
N78	NXT	Morin	480-16-0	46.23	0.00	0.27
N79	NXT	Apigenin	520-36-5	23.06	0.43	0.21
N80	NXT	Coniferyl ferulate	63644-62-2	4.54	0.71	0.39
N81	NXT	Senkyunolide E	94530-83-3	34.4	0.55	0.08
N82	NXT	Mulberrofuran A	68978-04-1	4.45	1.04	0.53