A Systems Biology Approach to Uncovering Pharmacological Synergy in Herbal Medicines with Applications to Cardiovascular Disease

Table 1

118 bioactive compounds from four herbs RSM, RAM, RPL, and ROJ and corresponding predicted oral bioavailability (OB), and drug-likeness (DL).

NO.	Compound	DL	OB	Herbs*
M161	ophiogenin	0.76	100.00	ROJ
M306	przewalskin b	0.44	100.00	RSM
M476	dimethyl-4,4′-dimethoxy-5,6,5′,6′-mdimethylene-dioxybiphenyl-2,2′-dicarboxylate	0.67	100.00	RAM
M465	7,2′-dihydroxy-3′,4′-dimethoxyisoflavone-7-O-β-D-glucoside	0.86	99.41	RAM
M6	tuberosin	0.76	95.05	RPL
M196	5-hydroxy-7,8-dimethoxy-6-methyl-3-(3′,4′-dihydroxybenzyl)chroman-4-one	0.41	93.42	ROJ
M521	Calycosin	0.24	88.9	RAM
M267	4-hydroxy-1-vinylcarboxy-7-(3,4-dihydroxyphenyl)benzo-β-furan	0.31	88.57	RSM
M462	4′-O-beta-Glucopyranosyl-5-O-Methylvisamminol	0.81	83.95	RAM
M204	N-[β-hydroxy-β-(4-hydroxy)phenyl]ethyl-4-hydroxy cinnamide	0.23	82.91	ROJ
M468	9,10-dimethoxypterocarpan-3-O-β-D-glucoside	0.92	81.91	RAM
M411	przewalskinone b	0.27	81.61	RSM
M182	ophiopogonanone F	0.45	81.49	ROJ
M505	astragaloside IV	0.15	81.32	RAM
M493	riboflavin	0.5	81	RAM
M480	betulinic acid	0.78	78.63	RAM
M510	aglycon of astragaloside I	0.2	77.02	RAM
M433	tanshindiol a	0.46	75.49	RSM
M183	ophiopogonanone G	0.46	75.41	ROJ
M533	aglycon of rhamnocitrin-3-O-glucoside	0.27	75.39	RAM
M461	5,4′-dihydroxy-3,7-dimethoxyflavone kumatakenin	0.29	75.36	RAM
M550	isoquercitrin	0.77	75.03	RAM
M509	astragaloside I	0.11	73.23	RAM
M55	8-prenylgenistein	0.37	72.6	RPL
M286	formyltanshinone	0.42	72.34	RSM
M390	miltionone II	0.44	71.03	RSM
M467	7-O-methylisomucronulatol	0.3	70.95	RAM
M464	aglycon of 5′-hydroxyiso-muronulatol-2′,5′-di-O-glucoside	0.8	70.73	RAM
M365	epiRSMspiroketallactone	0.31	68.27	RSM
M187	ophiopogonone B	0.31	67.52	ROJ
M559	red sandalwood ene	0.48	66.61	RAM
M492	behenic acid	0.26	65.99	RAM
M530	kaempferol	0.24	65.98	RAM
M507	mucronulatol-7-O-glucoside	0.86	65.21	RAM
M328	tanshinol I	0.52	64.81	RSM
M200	6-aldehydoisoophiopogonone B	0.38	64.39	ROJ
M406	prolithospermic acid	0.31	64.3	RSM
M523	aglycon of calycosin-7-O-glucoside	0.24	64.29	RAM
M501	astragaloside III	0.1	63.07	RAM
M485	aglycon of formononetin-7-glucoside	0.21	62.54	RAM
M478	γ-aminobutyric acid	0.01	62.12	RAM
M439	tanshinone VI	0.3	61.7	RSM
M213	ophiopogonanone B	0.3	59.58	ROJ
M421	salvianolic acid g	0.61	59.36	RSM
M522	calycosin-7-O-glucoside	0.81	58.36	RAM
M327	tanshinol II	0.56	58.29	RSM
M198	6-aldehydoisoophiopogonanone B	0.38	58.26	ROJ
M459	3,9-di-O-methylnissolin	0.48	57.75	RAM
M512	aglycon of astragaloside II	0.25	56.75	RAM
M516	rutin	0.68	56.65	RAM
M376	isotanshinone IIb	0.45	56.64	RSM
M551	aglycon of isoquercitrin	0.28	56.54	RAM
M54	8-prenyldaidzein	0.33	56	RPL
M351	danshenspiroketallactone	0.31	55.99	RSM
M311	przewaquinone c	0.4	55.83	RSM
M373	isocryptotanshinone	0.39	55.08	RSM
M197	6-aldehydo-7-methoxyl-isoophiopogonanone B	0.41	54.45	ROJ
M326	tanshinol a	0.41	54.27	RSM
M546	folic acid	0.71	53.33	RAM
M325	tanshinaldehyde	0.45	52.54	RSM
M395	neocryptotanshinone	0.32	52.54	RSM
M343	cryptotanshinone	0.4	52.44	RSM
M495	aglycon of alexandrin	0.75	52.12	RAM
M556	biochain B	0.21	51.72	RAM
M482	aglycon of β-sitosterol-3-O-β-D-glucopyranoside daucosterol	0.75	50.29	RAM
M377	isotanshinone IIa	0.4	50.02	RSM
M389	miltionone I	0.32	49.68	RSM
M506	aglycon of astragaloside IV	0.32	49.67	RAM
M356	deoxyneocryptotanshinone	0.29	49.51	RSM
M554	isomucronulatol-7,2′-di-O-glucosiole	0.62	49.32	RAM
M324	aglycon of tannin	0.26	49.23	RSM
M1	(Z,Z,Z)-8,11,14-eicosatrienoic acid	0.2	48.76	RPL
M469	aglycon of 9,10-dimethoxypterocarpan-3-O-β-D- glucoside	0.42	47.86	RAM
M96	daidzein-4′,7-diglucoside	0.67	47.27	RPL
M348	danshexinkum b	0.26	46.79	RSM
M270	6-O-syringyl-8-O-acetyl shanzhiside methyl ester	0.71	46.69	RSM
M532	rhamnocitrin-3-O-glucoside	0.76	45.82	RAM
M36	3′-methoxydaidzin	0.81	45.13	RPL
M264	3α-hydroxytanshinone IIa	0.44	45.1	RSM
M384	manool	0.2	45.06	RSM
M359	dihydrotanshinone I	0.36	45.04	RSM
M393	miltirone II	0.24	44.95	RSM
M477	sitosterol	0.78	44.72	RAM
M430	stigmasterol	0.76	43.83	RSM
M319	sclareol	0.21	43.67	RSM
M445	Δ1-dehydrotanshinone	0.4	43.67	RSM
M518	chlorogenic acid	0.33	43.43	RAM
M357	dihydroisotanshinone I	0.36	43.39	RSM
M435	tanshindiol c	0.45	42.87	RSM
M434	tanshindiol b	0.45	42.68	RSM
M558	lupenone	0.78	42.39	RAM
M265	3β-hydroxytanshinone IIa	0.45	42.17	RSM
M312	przewaquinone d	0.45	41.31	RSM
M168	5,7-dihydroxy-6,8-dimethyl-3-(2′-hydroxy-3′,4′-methylenedioxybenzyl)chromone	0.53	41.14	ROJ
M258	2-isopropyl-8-methylphenanthrene-3,4-dione	0.23	41.06	RSM
M511	astragaloside II	0.13	40.87	RAM
M489	syringaresinol	0.72	40.79	RAM
M91	soyasapogenol C	0.77	40.74	RPL
M167	5,7,2′-trihydroxy-8-methyl-3-(3′,4′-methylenedioxyb-enzyl)chromone	0.49	40.63	ROJ
M171	methylophiopogonone B	0.34	40.52	ROJ
M250	1,2,5,6-tetrahydrotanshinone	0.36	40.5	RSM
M517	lariciresinol	0.38	40.27	RAM
M170	methylophiopogonone A	0.48	40.24	ROJ
M520	aglycon of ononin	0.21	38.22	RAM
M23	daidzein	0.19	38.19	RPL
M414	salvianic acid a	0.06	35.95	RSM
M24	formononetin	0.21	32.3	RPL
M438	tanshinone IIb	0.45	21.7	RSM
M119	ophiopogonin D	0.06	20.86	ROJ
M203	methylophiopogonanone A	0.48	19.1	ROJ
M186	ophiopogonone A	0.44	14.24	ROJ
M496	quercetin	0.28	13.18	RAM
M64	puerarin	0.69	12.92	RPL
M199	6-aldehydoisoophiopogonone A	0.53	12.6	ROJ
M67	daidzin	0.73	9.83	RPL
M68	formononetin-7-O-b-D-glycoside-ononin	0.78	8.62	RPL
M323	tannin	0.03	7.3	RSM
M235	methylophiopogonanone B	0.34	5.26	ROJ

*RSM (Radix Salviae Miltiorrhiza), RAM (Radix Astragali Mongolici), RPL (Radix Puerariae lobatae), and ROJ (Radix Ophiopogonis Japonici).