TCM-ID Component

Description of the Component

Component ID	TCMH429
Latin Name	Swertia chinensis
English Name	Chinese swertia
Chinese Pinyin Name	Dang Yao
中文名	当药
TCM Properties
TCM Meridians
Therapeutic Class English
Therapeutic Class Chinese
Functions
Toxicity	NA
Geo-authentic habitats (道地产区)	NA
Reference	Chinese Pharmacopoeia (2015)
Barcode ID	ITSAB2166-14
Barcode Source	BOLDSYSTEMS

TCM Prescriptions with the Component

Prescription ID	Prescription English Name	Prescription Chinese Name
TCMFx501	Dang Fei Li Gan Ning Capsule	当飞利肝宁胶囊
TCMFx4010	Dang Fei Li Gan Ning Capsules	当飞利肝宁胶囊
TCMFx3629	Gan Shu Tablets	肝舒片
TCMF4904	Luo Huang Jiang Ya Tablets	罗黄降压片
TCMFx6512	Yu Gan Tablets	愈肝片

Targeted Human Proteins by the Ingredient of Component

Target ID	Gene Symbol	Target Name	Target Class	Uniprot ID
TCMT1	EHMT2	Histone-lysine N-methyltransferase, H3 lysine-9 specific 3	Transferase	Q96KQ7
TCMT156	CYP19A1	Cytochrome P450 19A1	Oxidoreductase	P11511
TCMT159	TYR	Tyrosinase	Oxidoreductase	P14679
TCMT161	HCAR2	Hydroxycarboxylic acid receptor 2	GPCR	Q8TDS4
TCMT17	POLB	DNA polymerase beta	Transferase	P06746
TCMT213	SLC22A1	Solute carrier family 22 member 1	Transporter	O15245
TCMT215	CYP1A1	Cytochrome P450 1A1	Oxidoreductase	P04798
TCMT219	CYP1A2	Cytochrome P450 1A2	Oxidoreductase	P05177
TCMT241	CHRNA7	Neuronal acetylcholine receptor protein alpha-7 subunit	Ion channel	P36544
TCMT257	CYP1B1	Cytochrome P450 1B1	Oxidoreductase	Q16678
TCMT265	GSK3B	Glycogen synthase kinase-3 beta	Kinase	P49841
TCMT27	DRD1	Dopamine D1 receptor	GPCR	P21728
TCMT290	CHRM5	Muscarinic acetylcholine receptor M5	GPCR	P08912
TCMT291	CHRM3	Muscarinic acetylcholine receptor M3	GPCR	P20309
TCMT292	CHRM1	Muscarinic acetylcholine receptor M1	GPCR	P11229
TCMT293	CHRM2	Muscarinic acetylcholine receptor M2	GPCR	P08172
TCMT31	CYP2C19	Cytochrome P450 2C19	Oxidoreductase	P33261
TCMT333	CTBP2	C-terminal-binding protein 2	Unclassified	P56545
TCMT38	DRD2	Dopamine D2 receptor	GPCR	P14416
TCMT42	KMT2A	Histone-lysine N-methyltransferase MLL	Transferase	Q03164
TCMT551	CHRM4	Muscarinic acetylcholine receptor M4	GPCR	P08173
TCMT552	CHRNA3	Neuronal acetylcholine receptor subunit alpha-3	Ion channel	P32297
TCMT561	NT5E	5'-nucleotidase	Hydrolase	P21589
TCMT614	EGLN1	Egl nine homolog 1	Oxidoreductase	Q9GZT9
TCMT8	KDM4E	Lysine-specific demethylase 4D-like	Oxidoreductase	B2RXH2
TCMT83	CD38	Lymphocyte differentiation antigen CD38	Unclassified	P28907

Targeted Pathogenic Microbes by the Ingredient of Component

Target ID	Target Name
TCMT1286	Bacillus cereus
TCMT1346	Helicobacter pylori
TCMT1455	Mycobacterium tuberculosis H37Rv

Ingredient Structrues

Ingredient ID: TCMC904
Formula: C5H14NO

Common Name	Choline
IUPAC Name	2-hydroxyethyl(trimethyl)azanium
Canonical SMILES	OCC[N+](C)(C)C
Standard InCHI	InChI=1S/C5H14NO/c1-6(2,3)4-5-7/h7H,4-5H2,1-3H3/q+1
Standard InCHIKey	OEYIOHPDSNJKLS-UHFFFAOYSA-N
External Identifiers	ChEMBL [CHEMBL920]; PubChem [305];
Reference of Component-Ingredient Pair	29065941

Occurrence of the ingredient across TCM components

Component ID	Latin Name	Pinyin Name	Chinese Name
TCMH2407	Bupleurum chinense	Yan Tai Chai Hu	烟台柴胡
TCMH2630	Citrus aurantium	Zhi Shi	枳实
TCMH429	Swertia chinensis	Dang Yao	当药
TCMH888	Pithecellobium clypearia	Hou Er Huan Jin Gao	猴耳环浸膏
TCMH101	Chelidonium majus	Bai Qu Cai	白屈菜
TCMH2580	Coptis chinensis	Ze Xi Huang Lian	择细黄连
TCMH2372	Bergenia purpurascens	Yan Bai Cai	岩白菜
TCMH568	Euphorbia hirta	Fei Yang Cao	飞杨草
TCMH2642	Gardenia jasminoides	Zhi Zi Jin Gao	栀子浸膏
TCMH2515	Papaver somniferum	Ying Su Ke	罂粟壳
TCMH1409	Cannabis sativa	Ma Ren	麻仁
TCMH2710	Homo sapiens	Zi He Che	紫河车
TCMH1499	Changium smyrnioides	Ming Dang Shen	明党参
TCMH2215	Ficus simplicissima	Wu Zhi Mao Tao	五指毛桃
TCMH240	Plantago depressa	Che Qian Cao	车前草
TCMH1090	Brassica juncea	Jie Zi	芥子
TCMH1483	Tussilago farfara	Mi Kuan Dong Hua	蜜款冬花
TCMH920	Quercus dentata	Hu Ye Gan Jin Gao	槲叶干浸膏
TCMH79	Sinapis alba	Bai Jie Zi	白芥子
TCMH1734	Homo sapiens	Ren Zhong Bai	人中白
TCMH228	Bupleurum chinense	Chai Hu	柴胡
TCMH229	Bupleurum chinense	Chai Hu Jin Gao	柴胡浸膏
TCMH230	Bupleurum chinense	Chai Hu Shao	柴胡梢
TCMH1223	Tussilago farfara	Kuan Dong Hua	款冬花
TCMH283	Coptis chinensis	Chuan Huang Lian	川黄连
TCMH972	Coptis chinensis	Huang Lian	黄连
TCMH973	Coptis chinensis	Huang Lian Gan Jin Gao	黄连干浸膏
TCMH975	Coptis chinensis	Huang Lian Xu	黄连须
TCMH1064	Coptis chinensis	Jiang Huang Lian	姜黄连
TCMH1161	Coptis chinensis	Jiu Huang Lian	酒黄连
TCMH2330	Coptis chinensis	Xiong Huang Lian	雄黄连
TCMH2531	Coptis chinensis	Yu Huang Lian	萸黄连
TCMH253	Citrus aurantium	Cheng Pi	橙皮
TCMH2613	Citrus aurantium	Zhi Geng	枳梗
TCMH2618	Citrus aurantium	Zhi Ke	枳壳
TCMH2619	Citrus aurantium	Zhi Ke Gan Jin Gao	枳壳干浸膏
TCMH1005	Cannabis sativa	Huo Ma Ren	火麻仁
TCMH886	Pithecellobium clypearia	Hou Er Huan	猴耳环
TCMH887	Pithecellobium clypearia	Hou Er Huan Gan Jin Gao	猴耳环干浸膏
TCMH1489	Papaver somniferum	Mi Ying Su Ke	蜜罂粟壳
TCMH2514	Papaver somniferum	Ying Su	罂粟
TCMH1856	Gardenia jasminoides	Shan Zhi	山栀
TCMH2641	Gardenia jasminoides	Zhi Zi	栀子

Ingredient ID: TCMC6745
Formula: C29H30O14

Common Name	Amaroswerin
IUPAC Name	[(2S,3R,4S,5S,6R)-2-[[(3S,4R,4aR)-4-ethenyl-4a-hydroxy-8-oxo-3,4,5,6-tetrahydropyrano[3,4-c]pyran-3-yl]oxy]-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl] 2,4-dihydroxy-6-(3-hydroxyphenyl)benzoate
Canonical SMILES	OC[C@H]1O[C@@H](O[C@@H]2[O]=CC3=C([O-])OCC[C@]3([C@H]2C=C)O)[C@@H]([C@H]([C@@H]1O)O)OC(=O)c1c(O)cc(cc1c1cccc(c1)O)O
Standard InCHI	InChI=1S/C29H31O14/c1-2-17-27(40-12-18-25(36)39-7-6-29(17,18)38)43-28-24(23(35)22(34)20(11-30)41-28)42-26(37)21-16(9-15(32)10-19(21)33)13-4-3-5-14(31)8-13/h2-5,8-10,12,17,20,22-24,27-28,30-36,38H,1,6-7,11H2/p-1/t17-,20+,22+,23-,24+,27-,28-,29+/m0/s1
Standard InCHIKey	UNMIVMZVKOZLES-WCYQFIIKSA-M
External Identifiers	ChEMBL [N/A]; PubChem [45359883];
Reference of Component-Ingredient Pair	10757721

Occurrence of the ingredient across TCM components

Component ID	Latin Name	Pinyin Name	Chinese Name
TCMH429	Swertia chinensis	Dang Yao	当药
TCMH98	Cynanchum stauntonii	Bai Qian	白前
TCMH1317	Gentiana scabra	Long Dan	龙胆

Ingredient ID: TCMC619
Formula: C7H16NO2

Common Name	Acetylcholine
IUPAC Name	2-acetyloxyethyl(trimethyl)azanium
Canonical SMILES	CC(=O)OCC[N+](C)(C)C
Standard InCHI	InChI=1S/C7H16NO2/c1-7(9)10-6-5-8(2,3)4/h5-6H2,1-4H3/q+1
Standard InCHIKey	OIPILFWXSMYKGL-UHFFFAOYSA-N
External Identifiers	ChEMBL [CHEMBL667]; PubChem [187];
Reference of Component-Ingredient Pair	29246838

Occurrence of the ingredient across TCM components

Component ID	Latin Name	Pinyin Name	Chinese Name
TCMH2630	Citrus aurantium	Zhi Shi	枳实
TCMH429	Swertia chinensis	Dang Yao	当药
TCMH317	Capsella bursa-pastoris	Ci Cai	荠菜
TCMH2710	Homo sapiens	Zi He Che	紫河车
TCMH2462	Crataegus pinnatifida	Ye Shan Zha	野山楂
TCMH1322	Solanum nigrum	Long Kui	龙葵
TCMH1484	Apis cerana	Mi La	蜜蜡
TCMH737	Crataegus pinnatifida	Guang Shan Zha	广山楂
TCMH1848	Crataegus pinnatifida	Shan Zha	山楂
TCMH1849	Crataegus pinnatifida	Shan Zha Chou Gao	山楂稠膏
TCMH1852	Crataegus pinnatifida	Shan Zha Qing Gao	山楂清膏
TCMH1853	Crataegus pinnatifida	Shan Zha Tan	山楂炭
TCMH1734	Homo sapiens	Ren Zhong Bai	人中白
TCMH583	Apis cerana	Feng Mi	蜂蜜
TCMH253	Citrus aurantium	Cheng Pi	橙皮
TCMH2613	Citrus aurantium	Zhi Geng	枳梗
TCMH2618	Citrus aurantium	Zhi Ke	枳壳
TCMH2619	Citrus aurantium	Zhi Ke Gan Jin Gao	枳壳干浸膏

Ingredient ID: TCMC4996
Formula: C41H62O15

Common Name	Glaucoside D
IUPAC Name	[(1R)-1-[(3S,5S,8S,9R,10S,13R,14S,15R,17S)-8,14,15-trihydroxy-3-[(2R,3R,4R,5S,6R)-3-hydroxy-4-methoxy-6-methyl-5-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-10,13-dimethyl-2,3,4,5,6,7,9,11,12,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl]ethyl] benzoate
Canonical SMILES	CO[C@@H]1[C@@H](O)[C@H](O[C@H]2CC[C@]3([C@H](C2)CC[C@@]2([C@@H]3CC[C@]3([C@]2(O)[C@H](O)C[C@@H]3[C@H](OC(=O)c2ccccc2)C)C)O)C)O[C@@H]([C@@H]1O[C@@H]1O[C@H](CO)[C@H]([C@@H]([C@H]1O)O)O)C
Standard InCHI	InChI=1S/C41H62O15/c1-20(52-35(48)22-9-7-6-8-10-22)25-18-28(43)41(50)39(25,4)15-13-27-38(3)14-12-24(17-23(38)11-16-40(27,41)49)54-37-32(47)34(51-5)33(21(2)53-37)56-36-31(46)30(45)29(44)26(19-42)55-36/h6-10,20-21,23-34,36-37,42-47,49-50H,11-19H2,1-5H3/t20-,21-,23+,24+,25-,26-,27-,28-,29-,30+,31-,32-,33+,34-,36+,37+,38+,39-,40+,41-/m1/s1
Standard InCHIKey	YUBUMONLXJORTF-GPBGMPHCSA-N
External Identifiers	ChEMBL [N/A]; PubChem [5478961];
Reference of Component-Ingredient Pair	N/A

Occurrence of the ingredient across TCM components

Component ID	Latin Name	Pinyin Name	Chinese Name
TCMH429	Swertia chinensis	Dang Yao	当药
TCMH98	Cynanchum stauntonii	Bai Qian	白前

Ingredient ID: TCMC487
Formula: C6H7NO3S

Common Name	4-Azaniumylbenzenesulfonate
IUPAC Name	4-azaniumylbenzenesulfonate
Canonical SMILES	Nc1ccc(cc1)S(=O)(=O)O
Standard InCHI	InChI=1S/C6H7NO3S/c7-5-1-3-6(4-2-5)11(8,9)10/h1-4H,7H2,(H,8,9,10)
Standard InCHIKey	HVBSAKJJOYLTQU-UHFFFAOYSA-N
External Identifiers	ChEMBL [CHEMBL1566888]; PubChem [5232424];
Reference of Component-Ingredient Pair	N/A

Occurrence of the ingredient across TCM components

Component ID	Latin Name	Pinyin Name	Chinese Name
TCMH2630	Citrus aurantium	Zhi Shi	枳实
TCMH429	Swertia chinensis	Dang Yao	当药
TCMH317	Capsella bursa-pastoris	Ci Cai	荠菜
TCMH253	Citrus aurantium	Cheng Pi	橙皮
TCMH2613	Citrus aurantium	Zhi Geng	枳梗
TCMH2618	Citrus aurantium	Zhi Ke	枳壳
TCMH2619	Citrus aurantium	Zhi Ke Gan Jin Gao	枳壳干浸膏

Ingredient ID: TCMC4117
Formula: C30H50O

Common Name	Hancokinol
IUPAC Name	(1R,3aS,5aR,5bR,7aR,9S,11aR,11bR,13aR,13bS)-3a,5a,5b,8,8,11a-hexamethyl-1-prop-1-en-2-yl-1,2,3,4,5,6,7,7a,9,10,11,11b,12,13,13a,13b-hexadecahydrocyclopenta[a]chrysen-9-ol
Canonical SMILES	CC(=C)[C@@H]1CC[C@@]2([C@@H]1[C@H]1CC[C@H]3[C@@]([C@]1(C)CC2)(C)CC[C@@H]1[C@]3(C)CC[C@@H](C1(C)C)O)C
Standard InCHI	InChI=1S/C30H50O/c1-19(2)20-11-14-27(5)17-18-29(7)21(25(20)27)9-10-23-28(6)15-13-24(31)26(3,4)22(28)12-16-30(23,29)8/h20-25,31H,1,9-18H2,2-8H3/t20-,21+,22-,23+,24-,25-,27-,28-,29+,30+/m0/s1
Standard InCHIKey	MQYXUWHLBZFQQO-DBLPCHSJSA-N
External Identifiers	ChEMBL [N/A]; PubChem [641635];
Reference of Component-Ingredient Pair	N/A

Occurrence of the ingredient across TCM components

Component ID	Latin Name	Pinyin Name	Chinese Name
TCMH429	Swertia chinensis	Dang Yao	当药
TCMH98	Cynanchum stauntonii	Bai Qian	白前

Ingredient ID: TCMC3893
Formula: C16H22O10

Common Name	Swertiamarin
IUPAC Name	(3S,4R,4aR)-4-ethenyl-4a-hydroxy-3-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3,4,5,6-tetrahydropyrano[3,4-c]pyran-8-one
Canonical SMILES	C=C[C@H]1[C@@H]([O]=CC2=C(OCC[C@@]12O)[O-])O[C@@H]1O[C@H](CO)[C@H]([C@@H]([C@H]1O)O)O
Standard InCHI	InChI=1S/C16H23O10/c1-2-7-14(24-6-8-13(21)23-4-3-16(7,8)22)26-15-12(20)11(19)10(18)9(5-17)25-15/h2,6-7,9-12,14-15,17-22H,1,3-5H2/p-1/t7-,9+,10+,11-,12+,14-,15-,16+/m0/s1
Standard InCHIKey	XPBPXVGXZLVTGD-QBXMEVCASA-M
External Identifiers	ChEMBL [CHEMBL456138]; PubChem [442435];
Reference of Component-Ingredient Pair	29078090

Occurrence of the ingredient across TCM components

Component ID	Latin Name	Pinyin Name	Chinese Name
TCMH429	Swertia chinensis	Dang Yao	当药
TCMH98	Cynanchum stauntonii	Bai Qian	白前
TCMH1317	Gentiana scabra	Long Dan	龙胆

Ingredient ID: TCMC3590
Formula: C16H22O9

Common Name	Sweroside
IUPAC Name	(3S,4R,4aS)-4-ethenyl-3-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-4,4a,5,6-tetrahydro-3H-pyrano[3,4-c]pyran-8-one
Canonical SMILES	C=C[C@H]1[C@@H]([O]=CC2=C(OCC[C@@H]12)[O-])O[C@@H]1O[C@H](CO)[C@H]([C@@H]([C@H]1O)O)O
Standard InCHI	InChI=1S/C16H23O9/c1-2-7-8-3-4-22-14(21)9(8)6-23-15(7)25-16-13(20)12(19)11(18)10(5-17)24-16/h2,6-8,10-13,15-21H,1,3-5H2/p-1/t7-,8+,10-,11-,12+,13-,15+,16+/m1/s1
Standard InCHIKey	INVGDVAONAHNSD-ZASXJUAOSA-M
External Identifiers	ChEMBL [CHEMBL456137]; PubChem [161036];
Reference of Component-Ingredient Pair	23604973

Occurrence of the ingredient across TCM components

Component ID	Latin Name	Pinyin Name	Chinese Name
TCMH429	Swertia chinensis	Dang Yao	当药
TCMH98	Cynanchum stauntonii	Bai Qian	白前
TCMH1317	Gentiana scabra	Long Dan	龙胆
TCMH1703	Swertia mileensis	Qing Ye Dan	青叶胆
TCMH1862	Cornus officinalis	Shan Zhu Yu	山茱萸

Ingredient ID: TCMC3410
Formula: C29H30O13

Common Name	Amarogentin
IUPAC Name	[(2S,3R,4S,5S,6R)-2-[[(3S,4R,4aS)-4-ethenyl-8-oxo-4,4a,5,6-tetrahydro-3H-pyrano[3,4-c]pyran-3-yl]oxy]-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl] 2,4-dihydroxy-6-(3-hydroxyphenyl)benzoate
Canonical SMILES	OC[C@H]1O[C@@H](O[C@@H]2[O]=CC3=C([O-])OCC[C@H]3[C@H]2C=C)[C@@H]([C@H]([C@@H]1O)O)OC(=O)c1c(O)cc(cc1c1cccc(c1)O)O
Standard InCHI	InChI=1S/C29H31O13/c1-2-16-17-6-7-38-26(36)19(17)12-39-28(16)42-29-25(24(35)23(34)21(11-30)40-29)41-27(37)22-18(9-15(32)10-20(22)33)13-4-3-5-14(31)8-13/h2-5,8-10,12,16-17,21,23-25,28-36H,1,6-7,11H2/p-1/t16-,17+,21-,23-,24+,25-,28+,29+/m1/s1
Standard InCHIKey	IYNYTDUNQWLHPO-WTONXPSSSA-M
External Identifiers	ChEMBL [N/A]; PubChem [115149];
Reference of Component-Ingredient Pair	21985644

Occurrence of the ingredient across TCM components

Component ID	Latin Name	Pinyin Name	Chinese Name
TCMH429	Swertia chinensis	Dang Yao	当药
TCMH98	Cynanchum stauntonii	Bai Qian	白前
TCMH1317	Gentiana scabra	Long Dan	龙胆

Ingredient ID: TCMC2199
Formula: C8H11NO

Common Name	Tyramine
IUPAC Name	4-(2-aminoethyl)phenol
Canonical SMILES	NCCc1ccc(cc1)O
Standard InCHI	InChI=1S/C8H11NO/c9-6-5-7-1-3-8(10)4-2-7/h1-4,10H,5-6,9H2
Standard InCHIKey	DZGWFCGJZKJUFP-UHFFFAOYSA-N
External Identifiers	ChEMBL [CHEMBL11608]; PubChem [5610];
Reference of Component-Ingredient Pair	27986436

Occurrence of the ingredient across TCM components

Component ID	Latin Name	Pinyin Name	Chinese Name
TCMH2630	Citrus aurantium	Zhi Shi	枳实
TCMH429	Swertia chinensis	Dang Yao	当药
TCMH101	Chelidonium majus	Bai Qu Cai	白屈菜
TCMH1987	Silybum marianum	Shui Fei Ji	水飞蓟
TCMH285	Dioscorea nipponica	Chuan Long Shu Yu	穿龙薯蓣
TCMH2710	Homo sapiens	Zi He Che	紫河车
TCMH1299	Ganoderma lucidum	Ling Zhi(1)	灵芝
TCMH1430	Hordeum vulgare	Mai Ya	麦芽
TCMH1854	Crataegi folium	Shan Zha Ye	山楂叶
TCMH1184	Citrus reticulata	Ju Pi	橘皮
TCMH1734	Homo sapiens	Ren Zhong Bai	人中白
TCMH1296	Ganoderma lucidum	Ling Zhi Jin Gao	灵芝浸膏
TCMH1178	Citrus reticulata	Ju He	橘核
TCMH253	Citrus aurantium	Cheng Pi	橙皮
TCMH2613	Citrus aurantium	Zhi Geng	枳梗
TCMH2618	Citrus aurantium	Zhi Ke	枳壳
TCMH2619	Citrus aurantium	Zhi Ke Gan Jin Gao	枳壳干浸膏

Ingredient ID: TCMC2020
Formula: C15H10O7

Common Name	Robinetin
IUPAC Name	3,7-dihydroxy-2-(3,4,5-trihydroxyphenyl)chromen-4-one
Canonical SMILES	Oc1ccc2c(c1)oc(c(c2=O)O)c1cc(O)c(c(c1)O)O
Standard InCHI	InChI=1S/C15H10O7/c16-7-1-2-8-11(5-7)22-15(14(21)12(8)19)6-3-9(17)13(20)10(18)4-6/h1-5,16-18,20-21H
Standard InCHIKey	SOEDEYVDCDYMMH-UHFFFAOYSA-N
External Identifiers	ChEMBL [CHEMBL170405]; PubChem [5281692];
Reference of Component-Ingredient Pair	N/A

Occurrence of the ingredient across TCM components

Component ID	Latin Name	Pinyin Name	Chinese Name
TCMH2630	Citrus aurantium	Zhi Shi	枳实
TCMH429	Swertia chinensis	Dang Yao	当药
TCMH317	Capsella bursa-pastoris	Ci Cai	荠菜
TCMH253	Citrus aurantium	Cheng Pi	橙皮
TCMH2613	Citrus aurantium	Zhi Geng	枳梗
TCMH2618	Citrus aurantium	Zhi Ke	枳壳
TCMH2619	Citrus aurantium	Zhi Ke Gan Jin Gao	枳壳干浸膏

Ingredient ID: TCMC1428
Formula: C16H12O6

Common Name	Kaempferide
IUPAC Name	3,5,7-trihydroxy-2-(4-methoxyphenyl)chromen-4-one
Canonical SMILES	COc1ccc(cc1)c1oc2cc(O)cc(c2c(=O)c1O)O
Standard InCHI	InChI=1S/C16H12O6/c1-21-10-4-2-8(3-5-10)16-15(20)14(19)13-11(18)6-9(17)7-12(13)22-16/h2-7,17-18,20H,1H3
Standard InCHIKey	SQFSKOYWJBQGKQ-UHFFFAOYSA-N
External Identifiers	ChEMBL [CHEMBL40919]; PubChem [5281666];
Reference of Component-Ingredient Pair	22279375

Occurrence of the ingredient across TCM components

Component ID	Latin Name	Pinyin Name	Chinese Name
TCMH2630	Citrus aurantium	Zhi Shi	枳实
TCMH429	Swertia chinensis	Dang Yao	当药
TCMH1835	Kaempferia galanga	Shan Nai	山柰
TCMH2491	Alpinia oxyphylla	Yi Zhi Ren	益智仁
TCMH859	Ormosia hosiei	Hong Dou	红豆
TCMH37	Smilax china	Ba Qia	菝葜
TCMH1823	Alpinia zerumbet	Shan Jiang	山姜
TCMH1277	Alpinia officinarum	Liang Jiang	良姜
TCMH2225	Cacumen tamaricis	Xi He Liu	西河柳
TCMH1135	Rosa laevigata	Jin Ying Zi Ti Qu Ye	金樱子提取液
TCMH1804	Amomum villosum	Sha Ren Ye	砂仁叶
TCMH1803	Amomum villosum	Sha Ren	砂仁
TCMH2488	Alpinia oxyphylla	Yi Zhi	益智
TCMH672	Alpinia officinarum	Gao Liang Jiang	高良姜
TCMH673	Alpinia officinarum	Gao Liang Jiang You	高良姜油
TCMH253	Citrus aurantium	Cheng Pi	橙皮
TCMH2613	Citrus aurantium	Zhi Geng	枳梗
TCMH2618	Citrus aurantium	Zhi Ke	枳壳
TCMH2619	Citrus aurantium	Zhi Ke Gan Jin Gao	枳壳干浸膏
TCMH1133	Rosa laevigata	Jin Ying Zi	金樱子
TCMH1134	Rosa laevigata	Jin Ying Zi Rou	金樱子肉

Ingredient ID: TCMC1374
Formula: C6H12O6

Common Name	Inositol
IUPAC Name	n.a.
Canonical SMILES	O[C@@H]1[C@H](O)[C@H](O)[C@H]([C@@H]([C@H]1O)O)O
Standard InCHI	InChI=1S/C6H12O6/c7-1-2(8)4(10)6(12)5(11)3(1)9/h1-12H/t1-,2-,3-,4+,5-,6-
Standard InCHIKey	CDAISMWEOUEBRE-GPIVLXJGSA-N
External Identifiers	ChEMBL [CHEMBL1222251]; PubChem [N/A];
Reference of Component-Ingredient Pair	N/A

Occurrence of the ingredient across TCM components

Component ID	Latin Name	Pinyin Name	Chinese Name
TCMH521	Typhonium giganteum	Du Jiao Lian	独角莲
TCMH457	Euphorbia humifusa	Di Mian Cao	地绵草
TCMH2630	Citrus aurantium	Zhi Shi	枳实
TCMH429	Swertia chinensis	Dang Yao	当药
TCMH1969	Aconitum carmichaeli	Shu Fu Pian	熟附片
TCMH2538	Zea mays	Yu Mi Xu	玉米须
TCMH2515	Papaver somniferum	Ying Su Ke	罂粟壳
TCMH2710	Homo sapiens	Zi He Che	紫河车
TCMH1105	Trollius chinensis	Jin Lian Hua	金莲花
TCMH2286	Berberis julianae	Xiao Bo Gen	小檗根
TCMH1484	Apis cerana	Mi La	蜜蜡
TCMH1601	Nelumbo nucifera	Ou Pian	藕片
TCMH74	Patrinia villosa	Bai Jiang	败酱
TCMH1033	Centella asiatica	Ji Xue Cao	积雪草
TCMH1394	Capparis masaikai	Ma Bing Lang	马槟榔
TCMH1592	Origanum vulgare	Niu Zhi	牛至
TCMH1531	Akebia quinata	Mu Tong	木通
TCMH1714	Lonicera japonica	Ren Dong Teng	忍冬藤
TCMH13	Artemisia argyi	Ai Ye You	艾叶油
TCMH2509	Epimedium brevicornum	Yin Yang Huo Jin Gao	淫羊藿浸膏
TCMH1127	Lonicera japonica	Jin Yin Hua	金银花
TCMH1128	Lonicera japonica	Jin Yin Hua Ti Qu Ye	金银花提取液
TCMH1734	Homo sapiens	Ren Zhong Bai	人中白
TCMH583	Apis cerana	Feng Mi	蜂蜜
TCMH12	Artemisia argyi	Ai Ye	艾叶
TCMH399	Aconitum carmichaeli	Dan Fu Pian	淡附片
TCMH613	Aconitum carmichaeli	Fu Pian	附片
TCMH623	Aconitum carmichaeli	Fu Zi	附子
TCMH624	Aconitum carmichaeli	Fu Zi Ren	附子仁
TCMH1898	Aconitum carmichaeli	Sheng Fu Zi	生附子
TCMH1968	Aconitum carmichaeli	Shu Fu Kuai	熟附块
TCMH58	Typhonium giganteum	Bai Fu Zi	白附子
TCMH2507	Epimedium brevicornum	Yin Yang Huo	淫羊藿
TCMH2508	Epimedium brevicornum	Yin Yang Huo Gan Gao Fen	淫羊藿干膏粉
TCMH814	Nelumbo nucifera	He Geng	荷梗
TCMH825	Nelumbo nucifera	He Ye	荷叶
TCMH1275	Nelumbo nucifera	Lian Zi	莲子
TCMH1276	Nelumbo nucifera	Lian Zi Xin	莲子心
TCMH1598	Nelumbo nucifera	Ou	藕
TCMH1599	Nelumbo nucifera	Ou Fen	藕粉
TCMH454	Euphorbia humifusa	Di Jin Cao	地锦草
TCMH253	Citrus aurantium	Cheng Pi	橙皮
TCMH2613	Citrus aurantium	Zhi Geng	枳梗
TCMH2618	Citrus aurantium	Zhi Ke	枳壳
TCMH2619	Citrus aurantium	Zhi Ke Gan Jin Gao	枳壳干浸膏
TCMH1489	Papaver somniferum	Mi Ying Su Ke	蜜罂粟壳
TCMH2514	Papaver somniferum	Ying Su	罂粟

Ingredient ID: TCMC1321
Formula: C28H34O15

Common Name	Hesperidin
IUPAC Name	(2S)-5-hydroxy-2-(3-hydroxy-4-methoxyphenyl)-7-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-[[(2R,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxymethyl]oxan-2-yl]oxy-2,3-dihydrochromen-4-one
Canonical SMILES	COc1ccc(cc1O)[C@@H]1CC(=O)c2c(O1)cc(cc2O)O[C@@H]1O[C@H](CO[C@@H]2O[C@@H](C)[C@@H]([C@H]([C@H]2O)O)O)[C@H]([C@@H]([C@H]1O)O)O
Standard InCHI	InChI=1S/C28H34O15/c1-10-21(32)23(34)25(36)27(40-10)39-9-19-22(33)24(35)26(37)28(43-19)41-12-6-14(30)20-15(31)8-17(42-18(20)7-12)11-3-4-16(38-2)13(29)5-11/h3-7,10,17,19,21-30,32-37H,8-9H2,1-2H3/t10-,17-,19+,21-,22+,23+,24-,25+,26+,27+,28+/m0/s1
Standard InCHIKey	QUQPHWDTPGMPEX-QJBIFVCTSA-N
External Identifiers	ChEMBL [CHEMBL449317]; PubChem [10621];
Reference of Component-Ingredient Pair	25130191

Occurrence of the ingredient across TCM components

Component ID	Latin Name	Pinyin Name	Chinese Name
TCMH945	Sophora japonica	Huai Zhi	槐枝
TCMH924	Zanthoxylum bungeanum	Hua Jiao	花椒
TCMH2630	Citrus aurantium	Zhi Shi	枳实
TCMH429	Swertia chinensis	Dang Yao	当药
TCMH1144	Schizonepetae herba	Jing Jie Tan	荆芥炭
TCMH2201	Securidaca inappendiculata	Wu Wei Teng	五味藤
TCMH1633	Taraxacum mongolicum	Pu Gong Ying Jin Gao	蒲公英浸膏
TCMH733	Desmodium styracifolium	Guang Jin Qian Cao	广金钱草
TCMH1460	Zanthoxylum nitidum	Mao Liang Mian Zhen	毛两面针
TCMH1141	Schizonepeta tenuifolia	Jing Jie	荆芥
TCMH428	Codonopsis pilosula	Dang Shen Qing Gao	党参清膏
TCMH366	Rheum officinale	Da Huang Liu Jin Gao	大黄流浸膏
TCMH2551	Polygonatum odoratum	Yu Zhu	玉竹
TCMH2192	Prunus mume	Wu Mei Rou	乌梅肉
TCMH1396	Portulaca oleracea	Ma Chi Xian	马齿苋
TCMH2297	Cirsium setosum	Xiao Ji	小蓟
TCMH1181	Chrysanthemum morifolium	Ju Hua	菊花
TCMH348	Lobelia chinensis	Da Ban Bian Lian	大半边莲
TCMH1272	Forsythia suspensa	Lian Qiao	连翘
TCMH132	Scutellaria barbata	Ban Zhi Lian	半枝莲
TCMH1184	Citrus reticulata	Ju Pi	橘皮
TCMH2282	Citrus medica	Xiang Yuan Pi	香橼皮
TCMH1965	Rheum palmatum	Shu Da Huang	熟大黄
TCMH1142	Schizonepetae spica	Jing Jie Sui	荆芥穗
TCMH122	Lobelia chinensis	Ban Bian Lian	半边莲
TCMH2281	Citrus medica	Xiang Yuan	香橼
TCMH426	Codonopsis pilosula	Dang Shen	党参
TCMH938	Sophora japonica	Huai Hua	槐花
TCMH940	Sophora japonica	Huai Jiao	槐角
TCMH941	Sophora japonica	Huai Mi	槐米
TCMH363	Rheum officinale	Da Huang	大黄
TCMH365	Rheum officinale	Da Huang Jin Gao	大黄浸膏
TCMH1178	Citrus reticulata	Ju He	橘核
TCMH978	Taraxacum mongolicum	Huang Miao	黄苗
TCMH1632	Taraxacum mongolicum	Pu Gong Ying	蒲公英
TCMH93	Prunus mume	Bai Mei Hua	白梅花
TCMH2191	Prunus mume	Wu Mei	乌梅
TCMH809	Chrysanthemum morifolium	Hang Ju	杭菊
TCMH253	Citrus aurantium	Cheng Pi	橙皮
TCMH2613	Citrus aurantium	Zhi Geng	枳梗
TCMH2618	Citrus aurantium	Zhi Ke	枳壳
TCMH2619	Citrus aurantium	Zhi Ke Gan Jin Gao	枳壳干浸膏

Ingredient ID: TCMC1198
Formula: C15H12O6

Common Name	Fustin
IUPAC Name	(2R,3R)-2-(3,4-dihydroxyphenyl)-3,7-dihydroxy-2,3-dihydrochromen-4-one
Canonical SMILES	Oc1ccc2c(c1)O[C@@H]([C@H](C2=O)O)c1ccc(c(c1)O)O
Standard InCHI	InChI=1S/C15H12O6/c16-8-2-3-9-12(6-8)21-15(14(20)13(9)19)7-1-4-10(17)11(18)5-7/h1-6,14-18,20H/t14-,15+/m0/s1
Standard InCHIKey	FNUPUYFWZXZMIE-LSDHHAIUSA-N
External Identifiers	ChEMBL [CHEMBL470267]; PubChem [5317435];
Reference of Component-Ingredient Pair	N/A

Occurrence of the ingredient across TCM components

Component ID	Latin Name	Pinyin Name	Chinese Name
TCMH2630	Citrus aurantium	Zhi Shi	枳实
TCMH429	Swertia chinensis	Dang Yao	当药
TCMH445	Hypericum japonicum	Di Er Cao	地耳草
TCMH253	Citrus aurantium	Cheng Pi	橙皮
TCMH2613	Citrus aurantium	Zhi Geng	枳梗
TCMH2618	Citrus aurantium	Zhi Ke	枳壳
TCMH2619	Citrus aurantium	Zhi Ke Gan Jin Gao	枳壳干浸膏

Ingredient ID: TCMC1194
Formula: C4H4O4

Common Name	Fumaric Acid
IUPAC Name	(E)-but-2-enedioic acid
Canonical SMILES	OC(=O)/C=C/C(=O)O
Standard InCHI	InChI=1S/C4H4O4/c5-3(6)1-2-4(7)8/h1-2H,(H,5,6)(H,7,8)/b2-1+
Standard InCHIKey	VZCYOOQTPOCHFL-OWOJBTEDSA-N
External Identifiers	ChEMBL [CHEMBL503160]; PubChem [444972];
Reference of Component-Ingredient Pair	29968805

Occurrence of the ingredient across TCM components

Component ID	Latin Name	Pinyin Name	Chinese Name
TCMH86	Ampelopsis japonica	Bai Lian	白蔹
TCMH1571	Daphniphyllum calycinum	Niu Er Feng	牛耳枫
TCMH2407	Bupleurum chinense	Yan Tai Chai Hu	烟台柴胡
TCMH2630	Citrus aurantium	Zhi Shi	枳实
TCMH429	Swertia chinensis	Dang Yao	当药
TCMH281	Dipsacus asper	Chuan Duan	川断
TCMH2137	Pogostemon cablin	Tu Huo Xiang	土藿香
TCMH317	Capsella bursa-pastoris	Ci Cai	荠菜
TCMH2515	Papaver somniferum	Ying Su Ke	罂粟壳
TCMH1162	Sarcandra glabra	Jiu Jie Cha	九节茶
TCMH2710	Homo sapiens	Zi He Che	紫河车
TCMH422	Angelica sinensis	Dang Gui Gan Jin Gao	当归干浸膏
TCMH2551	Polygonatum odoratum	Yu Zhu	玉竹
TCMH1518	Chaenomeles sinensis	Mu Gua	木瓜
TCMH2362	Artemisia lactiflora	Ya Jiao Ai	鸭脚艾
TCMH2376	Corydalis yanhusuo	Yan Hu Suo	延胡索
TCMH665	Saccharum sinensis	Gan Zhe	甘蔗
TCMH1483	Tussilago farfara	Mi Kuan Dong Hua	蜜款冬花
TCMH710	Trichosanthes kirilowii maxim	Gua Lou Zi	瓜蒌子
TCMH2180	Ficus carica	Wu Hua Guo	无花果
TCMH421	Angelica sinensis	Dang Gui	当归
TCMH1734	Homo sapiens	Ren Zhong Bai	人中白
TCMH221	Sarcandra glabra	Cao Shan Hu Jin Gao	草珊瑚浸膏
TCMH228	Bupleurum chinense	Chai Hu	柴胡
TCMH229	Bupleurum chinense	Chai Hu Jin Gao	柴胡浸膏
TCMH230	Bupleurum chinense	Chai Hu Shao	柴胡梢
TCMH519	Pogostemon cablin	Du Huo Xiang	杜藿香
TCMH728	Pogostemon cablin	Guang Huo Xiang	广藿香
TCMH1008	Pogostemon cablin	Huo Xiang	藿香
TCMH1009	Pogostemon cablin	Huo Xiang Ye	藿香叶
TCMH1223	Tussilago farfara	Kuan Dong Hua	款冬花
TCMH253	Citrus aurantium	Cheng Pi	橙皮
TCMH2613	Citrus aurantium	Zhi Geng	枳梗
TCMH2618	Citrus aurantium	Zhi Ke	枳壳
TCMH2619	Citrus aurantium	Zhi Ke Gan Jin Gao	枳壳干浸膏
TCMH2017	Artemisia lactiflora	Si Ji Cai	四季菜
TCMH1489	Papaver somniferum	Mi Ying Su Ke	蜜罂粟壳
TCMH2514	Papaver somniferum	Ying Su	罂粟

Ingredient ID: TCMC1065
Formula: C28H32O15

Common Name	Diosmin
IUPAC Name	5-hydroxy-2-(3-hydroxy-4-methoxyphenyl)-7-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-[[(2R,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxymethyl]oxan-2-yl]oxychromen-4-one
Canonical SMILES	COc1ccc(cc1O)c1cc(=O)c2c(o1)cc(cc2O)O[C@@H]1O[C@H](CO[C@@H]2O[C@@H](C)[C@@H]([C@H]([C@H]2O)O)O)[C@H]([C@@H]([C@H]1O)O)O
Standard InCHI	InChI=1S/C28H32O15/c1-10-21(32)23(34)25(36)27(40-10)39-9-19-22(33)24(35)26(37)28(43-19)41-12-6-14(30)20-15(31)8-17(42-18(20)7-12)11-3-4-16(38-2)13(29)5-11/h3-8,10,19,21-30,32-37H,9H2,1-2H3/t10-,19+,21-,22+,23+,24-,25+,26+,27+,28+/m0/s1
Standard InCHIKey	GZSOSUNBTXMUFQ-YFAPSIMESA-N
External Identifiers	ChEMBL [CHEMBL231884]; PubChem [5281613];
Reference of Component-Ingredient Pair	23074902

Occurrence of the ingredient across TCM components

Component ID	Latin Name	Pinyin Name	Chinese Name
TCMH2630	Citrus aurantium	Zhi Shi	枳实
TCMH429	Swertia chinensis	Dang Yao	当药
TCMH733	Desmodium styracifolium	Guang Jin Qian Cao	广金钱草
TCMH1460	Zanthoxylum nitidum	Mao Liang Mian Zhen	毛两面针
TCMH348	Lobelia chinensis	Da Ban Bian Lian	大半边莲
TCMH1184	Citrus reticulata	Ju Pi	橘皮
TCMH2282	Citrus medica	Xiang Yuan Pi	香橼皮
TCMH122	Lobelia chinensis	Ban Bian Lian	半边莲
TCMH2281	Citrus medica	Xiang Yuan	香橼
TCMH1178	Citrus reticulata	Ju He	橘核
TCMH253	Citrus aurantium	Cheng Pi	橙皮
TCMH2613	Citrus aurantium	Zhi Geng	枳梗
TCMH2618	Citrus aurantium	Zhi Ke	枳壳
TCMH2619	Citrus aurantium	Zhi Ke Gan Jin Gao	枳壳干浸膏

Properties

Ingredient ID	Formulae	Name	MW	AlogP	MlogP	XlogP	# HBA	# HBD	PSA	# Rotatable Bond	# Ring	# Heacy Atom	Lipinski RO5 Violation
TCMC487	C6H7NO3S	4-Azaniumylbenzenesulfonate	173.01	-1.2914	1.57	-0.015	4	2	88.77	3	1	11	0
TCMC619	C7H16NO2	Acetylcholine	146.12	-1.195	1.9	-0.097	2	0	26.3	8	0	10	0
TCMC904	C5H14NO	Choline	104.11	-1.5741	1.79	-0.837	1	1	20.23	6	0	7	0
TCMC1065	C28H32O15	Diosmin	608.17	-4.9301	2.89	-0.819	10	8	234.29	17	5	43	1
TCMC1194	C4H4O4	Fumaric Acid	116.01	-0.2252	1.46	-0.416	4	2	74.6	4	0	8	0
TCMC1198	C15H12O6	Fustin	288.06	-2.4666	2.45	0.991	2	4	107.22	5	3	21	0
TCMC1321	C28H34O15	Hesperidin	610.19	-4.86	2.89	-1.489	10	8	234.29	17	5	43	1
TCMC1374	C6H12O6	Inositol	180.06	-3.0642	1.46	-1.458	6	6	121.38	6	1	12	1
TCMC1428	C16H12O6	Kaempferide	300.06	-1.9324	2.56	2.434	2	3	96.22	6	3	22	0
TCMC2020	C15H10O7	Robinetin	302.04	-2.8012	2.34	1.81	2	5	127.45	6	3	22	0
TCMC2199	C8H11NO	Tyramine	137.08	-0.943	2.12	1.104	1	2	46.25	4	1	10	0
TCMC3410	C29H30O13	Amarogentin	586.168641	-3.8318	3.22	2.437	10	6	198.43	8	5	42	1
TCMC3590	C16H22O9	Sweroside	358.1263823	-2.8201	2.23	-0.256	9	4	131.67	4	3	25	0
TCMC3893	C16H22O10	Swertiamarin	374.1212969	-3.531	2.12	-1.203	10	5	151.9	4	3	26	0
TCMC4117	C30H50O	Hancokinol	426.3861662	3.2313	4.65	11.901	1	1	20.23	1	5	31	1
TCMC4996	C41H62O15	Glaucoside D	794.4088713	-4.1746	4.32	3.938	15	8	234.29	10	7	56	2
TCMC6745	C29H30O14	Amaroswerin	602.1635556	-4.5427	3.11	1.49	11	7	218.66	8	5	43	2

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Data Section	Select to Download
1. General Information of the Component
2. TCM Prescriptions with the Component
3. Putative Targets
4. Activity & References for Filtering Putative Targets
5. Ingredient Data & Chemical Structure Information (Properties, InChI, InChIkey, SMILES, etc.)

Component: Swertia chinensis 当药

Description of the Component

Component ID

Latin Name

English Name

Chinese Pinyin Name

中文名

TCM Properties

TCM Meridians

Therapeutic Class English

Therapeutic Class Chinese

Functions

Toxicity

Geo-authentic habitats (道地产区)

Reference

Barcode ID

Barcode Source

TCM Prescriptions with the Component

Targeted Human Proteins by the Ingredient of Component

Targeted Pathogenic Microbes by the Ingredient of Component

Ingredient Structrues

Ingredient ID: TCMC904

Occurrence of the ingredient across TCM components

Ingredient ID: TCMC6745

Occurrence of the ingredient across TCM components

Ingredient ID: TCMC619

Occurrence of the ingredient across TCM components

Ingredient ID: TCMC4996

Occurrence of the ingredient across TCM components

Ingredient ID: TCMC487

Occurrence of the ingredient across TCM components

Ingredient ID: TCMC4117

Occurrence of the ingredient across TCM components

Ingredient ID: TCMC3893

Occurrence of the ingredient across TCM components

Ingredient ID: TCMC3590

Occurrence of the ingredient across TCM components

Ingredient ID: TCMC3410

Occurrence of the ingredient across TCM components

Ingredient ID: TCMC2199

Occurrence of the ingredient across TCM components

Ingredient ID: TCMC2020

Occurrence of the ingredient across TCM components

Ingredient ID: TCMC1428

Occurrence of the ingredient across TCM components

Ingredient ID: TCMC1374

Occurrence of the ingredient across TCM components

Ingredient ID: TCMC1321

Occurrence of the ingredient across TCM components

Ingredient ID: TCMC1198

Occurrence of the ingredient across TCM components

Ingredient ID: TCMC1194

Occurrence of the ingredient across TCM components

Ingredient ID: TCMC1065

Occurrence of the ingredient across TCM components

Properties

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