Table S1. Chemical compounds contained in each LCTE’s plant Chinese name Latin name Compound.name Bai Shu Rhizoma didehydrotuberostemonine Atractylodis Macrocephalae Bai Shu Rhizoma formononetin Atractylodis Macrocephalae Bai Shu Rhizoma 14-acetyl-12-senecioyl-2e,8z,10e-atractylentriol Atractylodis Macrocephalae Bai Shu Rhizoma (3s,8s,9s,10r,13r,14s,17r)-10,13-dimethyl-17-[(2r,5s)-5-propan-2- Atractylodis yloctan-2-yl]-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1h- Macrocephalae cyclopenta[a]phenanthren-3-ol Bai Shu Rhizoma 8-beta-ethoxy atractylenolide iii Atractylodis Macrocephalae Bai Shu Rhizoma stemonine Atractylodis Macrocephalae Ban Xia Rhizoma 24-ethylcholest-4-en-3-one Ban Xia Rhizoma baicalein Ban Xia Rhizoma quercetin Ban Xia Rhizoma 10,13-eicosadienoic Ban Xia Rhizoma cavidine Ban Xia Rhizoma beta-sitosterol Ban Xia Rhizoma stigmasterol Ban Xia Rhizoma gondoic acid Ban Xia Rhizoma coniferin Ban Xia Rhizoma (3s,6s)-3-(benzyl)-6-(4-hydroxybenzyl)piperazine-2,5-quinone Ban Xia Rhizoma cycloartenol Chai Hu Radix Bupleuri 5,8-dihydroxy-6,7-dimethoxyflavone Chai Hu Radix Bupleuri quercetin Chai Hu Radix Bupleuri kaempferol Chai Hu Radix Bupleuri 3,5,6,7-tetramethoxy-2-(3,4,5-trimethoxyphenyl)chromone Chai Hu Radix Bupleuri linoleyl acetate Chai Hu Radix Bupleuri isorhamnetin Chai Hu Radix Bupleuri stigmasterol Chai Hu Radix Bupleuri alpha-spinasterol Chai Hu Radix Bupleuri areapillin Chai Hu Radix Bupleuri cubebin Chen Pi Pericarpium Citri naringenin Reticulatae Chen Pi Pericarpium Citri nobiletin Reticulatae Chen Pi Pericarpium Citri 5,7-dihydroxy-2-(3-hydroxy-4-methoxyphenyl)chroman-4-one Reticulatae Chen Pi Pericarpium Citri citromitin Reticulatae Dong Hua Farfarae Flos femara Dong Hua Farfarae Flos tussilagin Dong Hua Farfarae Flos 7-beta-angeloyloxyoplopa-3(14)z,8(10)-dien-2-one Dong Hua Farfarae Flos 7-beta-(4-methylsenecioyloxy)oplopa-3(14)e,8(10)-dien-2-one Dong Hua Farfarae Flos 14-acetoxy-7-beta-senecioyloxy-notonipetranone Dong Hua Farfarae Flos beta-sitosterol Dong Hua Farfarae Flos kaempferol Dong Hua Farfarae Flos quercetin Dong Hua Farfarae Flos senkirkine Dong Hua Farfarae Flos 14-acetoxy-7-beta-angeloyloxy-notonipetranone Dong Hua Farfarae Flos 7-beta-(3-ethyl-cis-crotonoyloxy)-14-hydroxy-notonipetranone Dong Hua Farfarae Flos la-7-beta-di(4-methulsenecioyloxy) oplopa-3(14)z,8(10)-dien-2- Dong Hua Farfarae Flos methyl butyric acid tussilagin ester Dong Hua Farfarae Flos 7-beta-senecioyloxyoplopa-3(14)z,8(10)-dien-2-one Dong Hua Farfarae Flos 7-beta-(3-ethyl-cis-crotonoyloxy)-la-(2-methyl butyryloxy)-3,14- dehydro-z-notonipetralactone Fu Ling Poria ergosterol peroxide Fu Ling Poria trametenolic acid Fu Ling Poria hederagenin Fu Ling Poria ergosta-7,22e-dien-3-beta-ol Fu Ling Poria cheilanthifoline Gan Cao Radix lupiwighteone Gan Cao Radix xambioona Gan Cao Radix glabranin Gan Cao Radix licoagroisoflavone Gan Cao Radix licocoumarone Gan Cao Radix licoisoflavone Gan Cao Radix quercetin Gan Cao Radix licoricone Gan Cao Radix formononetin Gan Cao Radix medicarpin Gan Cao Radix naringenin Gan Cao Radix glyzaglabrin Gan Cao Radix semilicoisoflavone b Gan Cao Radix isolicoflavonol Gan Cao Radix isorhamnetin Gan Cao Radix isotrifoliol Gan Cao Radix kaempferol Gan Cao Radix glepidotin b Gan Cao Radix glypallichalcone Gan Cao Radix licoisoflavone b Gan Cao Radix 7-methoxy-2-methyl isoflavone Gan Cao Radix licochalcone g Gan Cao Radix gancaonin a Gan Cao Radix gancaonin b Gan Cao Radix 2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-6-(3-methylbut-2- Gan Cao Radix isoglycyrol Gan Cao Radix shinpterocarpin Gan Cao Radix (e)-3-[3,4-dihydroxy-5-(3-methylbut-2-enyl)phenyl]-1-(2,4- Glycyrrhizae dihydroxyphenyl)prop-2-en-1-one Gan Cao Radix kanzonol f Gan Cao Radix glabrene Gan Cao Radix glabrone Gan Cao Radix 1,3-dihydroxy-9-methoxy-6-benzofurano[3,2-c]chromenone Gan Cao Radix 8-(6-hydroxy-2-benzofuranyl)-2,2-dimethyl-5-chromenol Gan Cao Radix licochalcone b Gan Cao Radix sigmoidin-b Gan Cao Radix 3-(3,4-dihydroxyphenyl)-5,7-dihydroxy-8-(3-methylbut-2- Gan Cao Radix 5,7-dihydroxy-3-(4-methoxyphenyl)-8-(3-methylbut-2- Gan Cao Radix hmo Gan Cao Radix licoisoflavanone Gan Cao Radix quercetin der Gan Cao Radix icos-5-enoic acid Gan Cao Radix (e)-1-(2,4-dihydroxyphenyl)-3-(2,2-dimethylchromen-6-yl)prop-2- Glycyrrhizae en-1-one Gan Cao Radix 6-prenylated eriodictyol Gan Cao Radix inermine Gan Cao Radix dfv Gan Cao Radix 1,3-dihydroxy-8,9-dimethoxy-6-benzofurano[3,2-c]chromenone Gan Cao Radix eurycarpin a Gan Cao Radix jaranol Gan Cao Radix calycosin Gan Cao Radix (2s)-2-[4-hydroxy-3-(3-methylbut-2-enyl)phenyl]-8,8-dimethyl- Glycyrrhizae 2,3-dihydropyrano[2,3-f]chromen-4-one Gan Cao Radix euchrenone Gan Cao Radix glyasperin b Gan Cao Radix glyasperin f Gan Cao Radix glyasperin c Gan Cao Radix gadelaidic acid Gan Cao Radix (2s)-6-(2,4-dihydroxyphenyl)-2-(2-hydroxypropan-2-yl)-4- Glycyrrhizae methoxy-2,3-dihydrofuro[3,2-g]chromen-7-one Gan Cao Radix glepidotin a Gan Cao Radix 8-prenylated eriodictyol Gan Cao Radix (2r)-7-hydroxy-2-(4-hydroxyphenyl)chroman-4-one Gan Cao Radix betulinic acid Gan Cao Radix glycyrol Gan Cao Radix gancaonin h Gan Cao Radix phaseol Gan Cao Radix (2s)-7-hydroxy-2-(4-hydroxyphenyl)-8-(3-methylbut-2- Glycyrrhizae enyl)chroman-4-one Gan Cao Radix glycyrrhiza flavonol a Gan Cao Radix 1-methoxyphaseollidin Gan Cao Radix gancaonin g Gan Cao Radix licoagrocarpin Gan Cao Radix glyasperins m Gan Cao Radix vestitol Gan Cao Radix odoratin Gui Zhi Cinnamomi luteolin Ramulus Gui Zhi Cinnamomi isodalbergin Ramulus Gui Zhi Cinnamomi beta-sitosterol Ramulus Gui Zhi Cinnamomi taxifolin Ramulus Huang Qin Radix 5,7,4'-trihydroxy-6-methoxyflavanone Huang Qin Radix 5,7,4'-trihydroxy-8-methoxyflavanone Huang Qin Radix dihydrooroxylin Huang Qin Radix beta-sitosterol Huang Qin Radix 11,13-eicosadienoic acid, methyl ester Huang Qin Radix 5,7,2',6'-tetrahydroxyflavone Huang Qin Radix epiberberine Huang Qin Radix panicolin Huang Qin Radix neobaicalein Huang Qin Radix 5,8-dihydroxy-6,7-dimethoxyflavone Huang Qin Radix skullcapflavone ii Huang Qin Radix 5,2'-dihydroxy-6,7,8-trimethoxyflavone Huang Qin Radix stigmasterol Huang Qin Radix bis[(2s)-2-ethylhexyl] benzene-1,2-dicarboxylate Huang Qin Radix acacetin Huang Qin Radix rivularin Huang Qin Radix moslosooflavone Huang Qin Radix wogonin Huang Qin Radix 5,2',6'-trihydroxy-7,8-dimethoxyflavone Huang Qin Radix norwogonin Huang Qin Radix baicalein Huang Qin Radix 5,7,4'-trihydroxy-8-methoxyflavone Huang Qin Radix 5,7,2,5-tetrahydroxy-8,6-dimethoxyflavone Huang Qin Radix (2r)-7-hydroxy-5-methoxy-2-phenylchroman-4-one Huang Qin Radix diop Huang Qin Radix coptisine Huang Qin Radix salvigenin Huang Qin Radix carthamidin Huang Qin Radix eriodyctiol (flavanone) Huang Qin Radix dihydrobaicalin_qt Huang Qin Radix oroxylin a Huo Xiang Pogostemon genkwanin Huo Xiang Pogostemon worenine Huo Xiang Pogostemon magnograndiolide Huo Xiang Pogostemon quercetin Huo Xiang Pogostemon coptisine Huo Xiang Pogostemon 5-hydroxy-7,4'-dimethoxyflavanon Huo Xiang Pogostemon quercetin 7-o-beta-d-glucoside Huo Xiang Pogostemon irisolidone Huo Xiang Pogostemon berberine Huo Xiang Pogostemon diop Huo Xiang Pogostemon phenanthrone Ma Huang Herba Ephedrae campest-5-en-3-beta-ol Ma Huang Herba Ephedrae truflex obp Ma Huang Herba Ephedrae poriferast-5-en-3beta-ol Ma Huang Herba Ephedrae naringenin Ma Huang Herba Ephedrae 2,3,4-trimethyl-5-phenyloxazolidine Ma Huang Herba Ephedrae taxifolin Ma Huang Herba Ephedrae diosmetin Ma Huang Herba Ephedrae stigmasterol Ma Huang Herba Ephedrae pectolinarigenin Ma Huang Herba Ephedrae quercetin Ma Huang Herba Ephedrae genkwanin Ma Huang Herba Ephedrae mandenol Ma Huang Herba Ephedrae eriodictyol Ma Huang Herba Ephedrae 24-ethylcholest-4-en-3-one Ma Huang Herba Ephedrae luteolin Ma Huang Herba Ephedrae kaempferol Shan Yao Rhizoma piperlonguminine Dioscoreae Shan Yao Rhizoma hancinone c Dioscoreae Shan Yao Rhizoma campesterol Dioscoreae Shan Yao Rhizoma stigmasterol Dioscoreae Shan Yao Rhizoma 24-methylcholest-5-enyl-3belta-o-glucopyranoside_qt Dioscoreae Shan Yao Rhizoma isofucosterol Dioscoreae Shan Yao Rhizoma taxifolin Dioscoreae Shan Yao Rhizoma kadsurenone Dioscoreae Shan Yao Rhizoma aids180907 Dioscoreae Shan Yao Rhizoma diosgenin Dioscoreae Shan Yao Rhizoma dioscoreside c_qt Dioscoreae She Gan Rhizoma genkwanin Belamcandae She Gan Rhizoma stigmasterol Belamcandae She Gan Rhizoma dinatin Belamcandae She Gan Rhizoma luteolin Belamcandae She Gan Rhizoma iristectorigenin a Belamcandae She Gan Rhizoma dihydrokaempferide Belamcandae She Gan Rhizoma iristectorigenin (9ci) Belamcandae She Gan Rhizoma isorhamnetin Belamcandae She Gan Rhizoma irolone Belamcandae She Gan Rhizoma rhamnazin Belamcandae Sheng Jiang Rhizoma stigmasterol Zingiberis Sheng Jiang Rhizoma poriferast-5-en-3beta-ol Zingiberis Sheng Jiang Rhizoma beta-sitosterol Zingiberis Sheng Jiang Rhizoma 6-methylgingediacetate Zingiberis Xi Xin Herba Asari zinc05223929 Xi Xin Herba Asari [(1s)-3-[(e)-but-2-enyl]-2-methyl-4-oxo-1-cyclopent-2-enyl] (1r,3r)-3-[(e)-3-methoxy-2-methyl-3-oxoprop-1-enyl]-2,2- dimethylcyclopropane-1-carboxylate Xi Xin Herba Asari (3s)-7-hydroxy-3-(2,3,4-trimethoxyphenyl)chroman-4-one Xi Xin Herba Asari cryptopin Xi Xin Herba Asari caribine Xi Xin Herba Asari 4,9-dimethoxy-1-vinyl-beta-carboline Xi Xin Herba Asari sesamin Xi Xin Herba Asari kaempferol Xing Ren Semen 11,14-eicosadienoic acid Armeniacae Amarum Xing Ren Semen estrone Armeniacae Amarum Xing Ren Semen luteolin Armeniacae Amarum Xing Ren Semen stigmasterol Armeniacae Amarum Xing Ren Semen gondoic acid Armeniacae Amarum Xing Ren Semen betulinic acid Armeniacae Amarum Xing Ren Semen licochalcone b Armeniacae Amarum Xing Ren Semen glycyrol Armeniacae Amarum Xing Ren Semen spinasterol Armeniacae Amarum Xing Ren Semen acacetin Armeniacae Amarum Xing Ren Semen phaseol Armeniacae Amarum Xing Ren Semen machiline Armeniacae Amarum Ze Xie Rhizoma alisol c monoacetate Ze Xie Rhizoma [(1s,3r)-1-[(2r)-3,3-dimethyloxiran-2-yl]-3-[(5r,8s,9s,10s,11s,14r)- Alismatis 11-hydroxy-4,4,8,10,14-pentamethyl-3-oxo- 1,2,5,6,7,9,11,12,15,16-decahydrocyclopenta[a]phenanthren-17- Ze Xie Rhizoma 16-beta-methoxyalisol b monoacetate Ze Xie Rhizoma 1-monolinolein Ze Xie Rhizoma alisol b Zhi Shi Fructus Aurantii luteolin Immaturus Zhi Shi Fructus Aurantii naringenin Immaturus Zhi Shi Fructus Aurantii nobiletin Immaturus Zhi Shi Fructus Aurantii isosinensetin Immaturus Zhi Shi Fructus Aurantii 5,7-dihydroxy-2-(3-hydroxy-4-methoxyphenyl)chroman-4-one Immaturus Zhi Shi Fructus Aurantii didymin Immaturus Zhi Shi Fructus Aurantii tetramethoxyluteolin Immaturus Zhi Shi Fructus Aurantii sinensetin Immaturus Zhi Shi Fructus Aurantii 4-[(2s,3r)-5-[(e)-3-hydroxyprop-1-enyl]-7-methoxy-3-methylol- Immaturus 2,3-dihydrobenzofuran-2-yl]-2-methoxy-phenol Zhi Shi Fructus Aurantii 5,7,4'-trimethylapigenin Immaturus Zhi Shi Fructus Aurantii neohesperidin_qt Immaturus Zhi Shi Fructus Aurantii eriodyctiol (flavanone) Immaturus Zhi Shi Fructus Aurantii 6-methoxy aurapten Immaturus Zhu Ling Polyporus (22e,24r)-ergosta-7,22-dien-3-one Umbellatus Zhu Ling Polyporus ergosta-7,22e-dien-3-beta-ol Umbellatus Zhu Ling Polyporus polyporusterone g Umbellatus Zhu Ling Polyporus ergosta-7,22-diene-3-beta-ol Umbellatus Zhu Ling Polyporus cerevisterol Umbellatus Zhu Ling Polyporus ergosta-5,7,22-trien-3-ol Umbellatus Zhu Ling Polyporus ergosta-7,22-dien-3-one Umbellatus Zi Wan Radix Asteria zinc03978781 Zi Wan Radix Asteria galangin Zi Wan Radix Asteria beta-sitosterol Zi Wan Radix Asteria 5,7-dihydroxy-2-(3-hydroxy-4-methoxyphenyl)chroman-4-one Zi Wan Radix Asteria quercetin Zi Wan Radix Asteria isorhamnetin Zi Wan Radix Asteria spinasterol Zi Wan Radix Asteria kaempferol Zi Wan Radix Asteria luteolin