TCM-ID Component

Description of the Component

Component ID	TCMH109
Latin Name	Pulsatilla chinensis
English Name	Chinese pulsatilla
Chinese Pinyin Name	Bai Tou Weng
中文名	白头翁
TCM Properties	Cold,Bitter
TCM Meridians	Large Intestine,Stomach,Liver
Therapeutic Class English	Heat clearence
Therapeutic Class Chinese	清热
Functions	clear heat and release toxins, cool the blood and stop dysentery
Toxicity	NA
Geo-authentic habitats (道地产区)	Anhui Province
Reference	Chinese Pharmacopoeia (2015)
Barcode ID	ITSAJ4425-14
Barcode Source	BOLDSYSTEMS

TCM Prescriptions with the Component

Prescription ID	Prescription English Name	Prescription Chinese Name
TCMF2086	Added Flavor Fu Zi Interior Modulation Decoction	加味附子理中汤
TCMF476	Bai Pu Huang Tablet	白蒲黄片
TCMF3042	Bai Pu Huang Tablets	白蒲黄片
TCMF2	Dan Yi Tablets	丹益片
TCMFx1643	Decoction of Pulsatillae	白头翁汤
TCMF2175	Infectious Diarrhea Decoction
TCMF4098	Kang Gu Sui Yan Tablets	抗骨髓炎片
TCMF52	Kang Gu Sui Yan Tablets	抗骨髄炎片
TCMF4087	Li Yan Ning Tablets	痢炎宁片
TCMFx6062	Xiao Huo Zhi Li Pills	消火止痢丸

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
TCMT112	ADORA3	Adenosine A3 receptor	GPCR	P0DMS8
TCMT125	GBA	Beta-glucocerebrosidase	Hydrolase	P04062
TCMT150	RORC	Nuclear receptor ROR-gamma	Nuclear receptor	P51449
TCMT156	CYP19A1	Cytochrome P450 19A1	Oxidoreductase	P11511
TCMT17	POLB	DNA polymerase beta	Transferase	P06746
TCMT18	GAA	Lysosomal alpha-glucosidase	Hydrolase	P10253
TCMT2	MAPT	Microtubule-associated protein tau	Unclassified	P10636
TCMT215	CYP1A1	Cytochrome P450 1A1	Oxidoreductase	P04798
TCMT219	CYP1A2	Cytochrome P450 1A2	Oxidoreductase	P05177
TCMT232	ABCB1	P-glycoprotein 1	Transporter	P08183
TCMT237	SLC5A1	Sodium/glucose cotransporter 1	Transporter	P13866
TCMT257	CYP1B1	Cytochrome P450 1B1	Oxidoreductase	Q16678
TCMT281	DPP4	Dipeptidyl peptidase IV	Unclassified	P27487
TCMT287	TAS2R31	Taste receptor type 2 member 31	GPCR	P59538
TCMT303	KCNA3	Voltage-gated potassium channel subunit Kv1.3	Ion channel	P22001
TCMT31	CYP2C19	Cytochrome P450 2C19	Oxidoreductase	P33261
TCMT33	CYP3A4	Cytochrome P450 3A4	Oxidoreductase	P08684
TCMT34	CYP2D6	Cytochrome P450 2D6	Oxidoreductase	P10635
TCMT42	KMT2A	Histone-lysine N-methyltransferase MLL	Transferase	Q03164
TCMT558	TOP2A	DNA topoisomerase II alpha	Isomerase	P11388
TCMT597	SLC28A3	Solute carrier family 28 member 3	Transporter	Q9HAS3
TCMT629	ABCC1	Multidrug resistance-associated protein 1	Transporter	P33527
TCMT69	THRB	Thyroid hormone receptor beta-1	Nuclear receptor	P10828
TCMT747	ABCG2	ATP-binding cassette sub-family G member 2	Transporter	Q9UNQ0
TCMT8	KDM4E	Lysine-specific demethylase 4D-like	Oxidoreductase	B2RXH2
TCMT80	MAPK1	MAP kinase ERK2	Kinase	P28482
TCMT82	ESR1	Estrogen receptor alpha	Nuclear receptor	P03372
TCMT87	CYP2C9	Cytochrome P450 2C9	Oxidoreductase	P11712

Targeted Pathogenic Microbes by the Ingredient of Component

Target ID	Target Name
TCMT1107	Protease
TCMT1172	Staphylococcus aureus subsp. aureus RN4220
TCMT1181	Mycobacterium tuberculosis H37Ra
TCMT1209	Staphylococcus haemolyticus
TCMT1218	Staphylococcus aureus
TCMT1223	Staphylococcus epidermidis
TCMT1232	Pseudomonas aeruginosa
TCMT1251	Candida albicans
TCMT1286	Bacillus cereus
TCMT1321	Staphylococcus hominis
TCMT1343	Staphylococcus simulans
TCMT1344	Staphylococcus sciuri
TCMT1345	Prevotella loescheii
TCMT1438	Plasmodium falciparum
TCMT1455	Mycobacterium tuberculosis H37Rv
TCMT1458	Filobasidiella neoformans
TCMT1462	Streptococcus mutans
TCMT1463	Mycobacterium tuberculosis
TCMT1465	Entamoeba histolytica

Ingredient Structrues

Ingredient ID: TCMC909
Formula: C17H14O4

Common Name	Chrysin Dimethyl Ether
IUPAC Name	5,7-dimethoxy-2-phenylchromen-4-one
Canonical SMILES	COc1cc(OC)c2c(c1)oc(cc2=O)c1ccccc1
Standard InCHI	InChI=1S/C17H14O4/c1-19-12-8-15(20-2)17-13(18)10-14(21-16(17)9-12)11-6-4-3-5-7-11/h3-10H,1-2H3
Standard InCHIKey	JRFZSUMZAUHNSL-UHFFFAOYSA-N
External Identifiers	ChEMBL [CHEMBL275391]; PubChem [88881];
Reference of Component-Ingredient Pair	N/A

Occurrence of the ingredient across TCM components

Component ID	Latin Name	Pinyin Name	Chinese Name
TCMH1255	Tripterygium wilfordii	Lei Gong Teng	雷公藤
TCMH807	Scutellaria indica	Han Xin Cao	韩信草
TCMH2698	Valeriana officinalis	Zhua Di Hu	抓地虎
TCMH109	Pulsatilla chinensis	Bai Tou Weng	白头翁
TCMH1225	Valeriana officinalis	Kuan Ye Xie Cao	宽叶缬草
TCMH2310	Valeriana officinalis	Xie Cao	缬草

Ingredient ID: TCMC870
Formula: C16H14O4

Common Name	Cardamomin
IUPAC Name	(E)-1-(2,4-dihydroxy-6-methoxyphenyl)-3-phenylprop-2-en-1-one
Canonical SMILES	COc1cc(O)cc(c1C(=O)/C=C/c1ccccc1)O
Standard InCHI	InChI=1S/C16H14O4/c1-20-15-10-12(17)9-14(19)16(15)13(18)8-7-11-5-3-2-4-6-11/h2-10,17,19H,1H3/b8-7+
Standard InCHIKey	NYSZJNUIVUBQMM-BQYQJAHWSA-N
External Identifiers	ChEMBL [CHEMBL378104]; PubChem [641785];
Reference of Component-Ingredient Pair	27900636

Occurrence of the ingredient across TCM components

Component ID	Latin Name	Pinyin Name	Chinese Name
TCMH215	Alpinia katsumadai	Cao Dou Kou Ren	草豆蔻仁
TCMH109	Pulsatilla chinensis	Bai Tou Weng	白头翁
TCMH214	Alpinia katsumadai	Cao Dou Kou	草豆蔻

Ingredient ID: TCMC799
Formula: C22H22O8

Common Name	Beta-Peltatin A
IUPAC Name	(5aR,8aR,9R)-4-hydroxy-9-(3,4,5-trimethoxyphenyl)-5a,6,8a,9-tetrahydro-5H-[2]benzofuro[5,6-f][1,3]benzodioxol-8-one
Canonical SMILES	COc1cc(cc(c1OC)OC)[C@H]1[C@H]2C(=O)OC[C@@H]2Cc2c1cc1OCOc1c2O
Standard InCHI	InChI=1S/C22H22O8/c1-25-14-5-10(6-15(26-2)20(14)27-3)17-12-7-16-21(30-9-29-16)19(23)13(12)4-11-8-28-22(24)18(11)17/h5-7,11,17-18,23H,4,8-9H2,1-3H3/t11-,17+,18-/m0/s1
Standard InCHIKey	HLBPOYVRLSXWJJ-PDSMFRHLSA-N
External Identifiers	ChEMBL [CHEMBL97543]; PubChem [92122];
Reference of Component-Ingredient Pair	N/A

Occurrence of the ingredient across TCM components

Component ID	Latin Name	Pinyin Name	Chinese Name
TCMH2050	Punica granatum	Suan Shi Liu	酸石榴
TCMH109	Pulsatilla chinensis	Bai Tou Weng	白头翁
TCMH1943	Punica granatum	Shi Liu	石榴
TCMH1944	Punica granatum	Shi Liu Pi	石榴皮
TCMH1945	Punica granatum	Shi Liu Zi	石榴子

Ingredient ID: TCMC6908
Formula: C10H8O4

Common Name	Anemonin
IUPAC Name	(5R,6R)-4,7-dioxadispiro[4.0.46.25]dodeca-1,9-diene-3,8-dione
Canonical SMILES	O=C1C=C[C@]2(O1)CC[C@]12C=CC(=O)O1
Standard InCHI	InChI=1S/C10H8O4/c11-7-1-3-9(13-7)5-6-10(9)4-2-8(12)14-10/h1-4H,5-6H2/t9-,10-/m0/s1
Standard InCHIKey	JLUQTCXCAFSSLD-UWVGGRQHSA-N
External Identifiers	ChEMBL [N/A]; PubChem [71676052];
Reference of Component-Ingredient Pair	N/A

Occurrence of the ingredient across TCM components

Component ID	Latin Name	Pinyin Name	Chinese Name
TCMH90	Imperata cylindrica	Bai Mao Gen	白茅根
TCMH109	Pulsatilla chinensis	Bai Tou Weng	白头翁
TCMH2166	Clematis chinensis	Wei Ling Xian	威灵仙

Ingredient ID: TCMC5780
Formula: C32H50O4

Common Name	3Β-Acetoxyolean-12-En-28-Oic Acid
IUPAC Name	(4aS,6aR,6aS,6bR,8aR,10S,12aR,14bR)-10-acetyloxy-2,2,6a,6b,9,9,12a-heptamethyl-1,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropicene-4a-carboxylic acid
Canonical SMILES	CC(=O)O[C@H]1CC[C@]2([C@H](C1(C)C)CC[C@@]1([C@@H]2CC=C2[C@@]1(C)CC[C@@]1([C@@H]2CC(C)(C)CC1)C(=O)[O-])C)C
Standard InCHI	InChI=1S/C32H50O4/c1-20(33)36-25-12-13-29(6)23(28(25,4)5)11-14-31(8)24(29)10-9-21-22-19-27(2,3)15-17-32(22,26(34)35)18-16-30(21,31)7/h9,22-25H,10-19H2,1-8H3,(H,34,35)/p-1/t22-,23+,24-,25+,29+,30-,31-,32+/m1/s1
Standard InCHIKey	RIXNFYQZWDGQAE-UUPNAFDOSA-M
External Identifiers	ChEMBL [N/A]; PubChem [11762805];
Reference of Component-Ingredient Pair	N/A

Occurrence of the ingredient across TCM components

Component ID	Latin Name	Pinyin Name	Chinese Name
TCMH109	Pulsatilla chinensis	Bai Tou Weng	白头翁
TCMH1597	Ligustrum lucidum	Nv Zhen Zi	女贞子
TCMH2217	NA	Qian Cao	茜草

Ingredient ID: TCMC5768
Formula: C41H66O12

Common Name	Anemoside A3
IUPAC Name	(1R,3aS,5aR,5bR,7aR,8R,9S,11aR,11bR,13aR,13bR)-9-[(2S,3R,4S,5S)-4,5-dihydroxy-3-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-2-yl]oxy-8-(hydroxymethyl)-5a,5b,8,11a-tetramethyl-1-prop-1-en-2-yl-1,2,3,4,5,6,7,7a,9,10,11,11b,12,13,13a,13b-hexadecahydrocyclopenta[a]chrysene-3a-carboxylic acid
Canonical SMILES	OC[C@]1(C)[C@H](CC[C@]2([C@H]1CC[C@@]1([C@@H]2CC[C@H]2[C@@]1(C)CC[C@@]1([C@@H]2[C@@H](CC1)C(=C)C)C(=O)[O-])C)C)O[C@@H]1OC[C@@H]([C@@H]([C@H]1O[C@@H]1O[C@@H](C)[C@@H]([C@H]([C@H]1O)O)O)O)O
Standard InCHI	InChI=1S/C41H66O12/c1-20(2)22-10-15-41(36(48)49)17-16-39(6)23(28(22)41)8-9-26-37(4)13-12-27(38(5,19-42)25(37)11-14-40(26,39)7)52-35-33(30(45)24(43)18-50-35)53-34-32(47)31(46)29(44)21(3)51-34/h21-35,42-47H,1,8-19H2,2-7H3,(H,48,49)/p-1/t21-,22-,23+,24-,25+,26+,27-,28+,29-,30-,31+,32+,33+,34-,35-,37-,38-,39+,40+,41-/m0/s1
Standard InCHIKey	ISNDTNDJSXYNKT-DVIRKNLQSA-M
External Identifiers	ChEMBL [CHEMBL443387]; PubChem [11721847];
Reference of Component-Ingredient Pair	12624827

Occurrence of the ingredient across TCM components

Component ID	Latin Name	Pinyin Name	Chinese Name
TCMH109	Pulsatilla chinensis	Bai Tou Weng	白头翁

Ingredient ID: TCMC5552
Formula: C59H96O25

Common Name	Cussosaponin C
IUPAC Name	[(2S,3R,4S,5S,6R)-6-[[(2R,3R,4R,5S,6R)-3,4-dihydroxy-6-(hydroxymethyl)-5-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-2-yl]oxymethyl]-3,4,5-trihydroxyoxan-2-yl] (1R,3aS,5aR,5bR,7aR,9S,11aR,11bR,13aR,13bR)-9-[(2S,3R,4S,5S)-4,5-dihydroxy-3-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-2-yl]oxy-5a,5b,8,8,11a-pentamethyl-1-prop-1-en-2-yl-1,2,3,4,5,6,7,7a,9,10,11,11b,12,13,13a,13b-hexadecahydrocyclopenta[a]chrysene-3a-carboxylate
Canonical SMILES	OC[C@H]1O[C@@H](OC[C@H]2O[C@@H](OC(=O)[C@@]34CC[C@H]([C@@H]4[C@@H]4[C@](CC3)(C)[C@]3(C)CC[C@@H]5[C@]([C@H]3CC4)(C)CC[C@@H](C5(C)C)O[C@@H]3OC[C@@H]([C@@H]([C@H]3O[C@@H]3O[C@@H](C)[C@@H]([C@H]([C@H]3O)O)O)O)O)C(=C)C)[C@@H]([C@H]([C@@H]2O)O)O)[C@@H]([C@H]([C@@H]1O[C@@H]1O[C@@H](C)[C@@H]([C@H]([C@H]1O)O)O)O)O
Standard InCHI	InChI=1S/C59H96O25/c1-23(2)26-12-17-59(54(74)84-52-45(72)41(68)38(65)30(80-52)22-76-49-46(73)42(69)47(29(20-60)79-49)82-50-43(70)39(66)35(62)24(3)77-50)19-18-57(8)27(34(26)59)10-11-32-56(7)15-14-33(55(5,6)31(56)13-16-58(32,57)9)81-53-48(37(64)28(61)21-75-53)83-51-44(71)40(67)36(63)25(4)78-51/h24-53,60-73H,1,10-22H2,2-9H3/t24-,25-,26-,27+,28-,29+,30+,31-,32+,33-,34+,35-,36-,37-,38+,39+,40+,41-,42+,43+,44+,45+,46+,47+,48+,49+,50-,51-,52-,53-,56-,57+,58+,59-/m0/s1
Standard InCHIKey	RLVCFPDMEANTCJ-BGVVGBMBSA-N
External Identifiers	ChEMBL [CHEMBL446867]; PubChem [10975293];
Reference of Component-Ingredient Pair	20066731

Occurrence of the ingredient across TCM components

Component ID	Latin Name	Pinyin Name	Chinese Name
TCMH109	Pulsatilla chinensis	Bai Tou Weng	白头翁

Ingredient ID: TCMC5497
Formula: C42H68O14

Common Name	Pulsatilloside B
IUPAC Name	[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-[[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]oxan-2-yl] (1R,3aS,5aR,5bR,7aR,8R,9S,11aR,11bR,13aR,13bR)-9-hydroxy-8-(hydroxymethyl)-5a,5b,8,11a-tetramethyl-1-prop-1-en-2-yl-1,2,3,4,5,6,7,7a,9,10,11,11b,12,13,13a,13b-hexadecahydrocyclopenta[a]chrysene-3a-carboxylate
Canonical SMILES	OC[C@H]1O[C@@H](OC[C@H]2O[C@@H](OC(=O)[C@@]34CC[C@H]([C@@H]4[C@@H]4[C@](CC3)(C)[C@]3(C)CC[C@@H]5[C@]([C@H]3CC4)(C)CC[C@@H]([C@@]5(C)CO)O)C(=C)C)[C@@H]([C@H]([C@@H]2O)O)O)[C@@H]([C@H]([C@@H]1O)O)O
Standard InCHI	InChI=1S/C42H68O14/c1-20(2)21-9-14-42(37(52)56-36-34(51)32(49)30(47)24(55-36)18-53-35-33(50)31(48)29(46)23(17-43)54-35)16-15-40(5)22(28(21)42)7-8-26-38(3)12-11-27(45)39(4,19-44)25(38)10-13-41(26,40)6/h21-36,43-51H,1,7-19H2,2-6H3/t21-,22+,23+,24+,25+,26+,27-,28+,29+,30+,31-,32-,33+,34+,35+,36-,38-,39-,40+,41+,42-/m0/s1
Standard InCHIKey	PVVJZDLOKFUBNE-UGUOGOKGSA-N
External Identifiers	ChEMBL [N/A]; PubChem [10843030];
Reference of Component-Ingredient Pair	21925476

Occurrence of the ingredient across TCM components

Component ID	Latin Name	Pinyin Name	Chinese Name
TCMH109	Pulsatilla chinensis	Bai Tou Weng	白头翁

Ingredient ID: TCMC5490
Formula: C35H56O8

Common Name	Pulsatilloside A
IUPAC Name	(1R,3aS,5aR,5bR,7aR,8R,9S,11aR,11bR,13aR,13bR)-8-(hydroxymethyl)-5a,5b,8,11a-tetramethyl-1-prop-1-en-2-yl-9-[(2S,3R,4S,5S)-3,4,5-trihydroxyoxan-2-yl]oxy-1,2,3,4,5,6,7,7a,9,10,11,11b,12,13,13a,13b-hexadecahydrocyclopenta[a]chrysene-3a-carboxylic acid
Canonical SMILES	OC[C@]1(C)[C@H](CC[C@]2([C@H]1CC[C@@]1([C@@H]2CC[C@H]2[C@@]1(C)CC[C@@]1([C@@H]2[C@@H](CC1)C(=C)C)C(=O)[O-])C)C)O[C@@H]1OC[C@@H]([C@@H]([C@H]1O)O)O
Standard InCHI	InChI=1S/C35H56O8/c1-19(2)20-9-14-35(30(40)41)16-15-33(5)21(26(20)35)7-8-24-31(3)12-11-25(43-29-28(39)27(38)22(37)17-42-29)32(4,18-36)23(31)10-13-34(24,33)6/h20-29,36-39H,1,7-18H2,2-6H3,(H,40,41)/p-1/t20-,21+,22-,23+,24+,25-,26+,27-,28+,29-,31-,32-,33+,34+,35-/m0/s1
Standard InCHIKey	LWHTTZZSZRSEDN-YZUAGKRNSA-M
External Identifiers	ChEMBL [N/A]; PubChem [10817455];
Reference of Component-Ingredient Pair	N/A

Occurrence of the ingredient across TCM components

Component ID	Latin Name	Pinyin Name	Chinese Name
TCMH109	Pulsatilla chinensis	Bai Tou Weng	白头翁

Ingredient ID: TCMC5480
Formula: C48H78O18

Common Name	Pulsatilloside C
IUPAC Name	[(2S,3R,4S,5S,6R)-6-[[(2R,3R,4R,5S,6R)-3,4-dihydroxy-6-(hydroxymethyl)-5-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-2-yl]oxymethyl]-3,4,5-trihydroxyoxan-2-yl] (1R,3aS,5aR,5bR,7aR,8R,9S,11aR,11bR,13aR,13bR)-9-hydroxy-8-(hydroxymethyl)-5a,5b,8,11a-tetramethyl-1-prop-1-en-2-yl-1,2,3,4,5,6,7,7a,9,10,11,11b,12,13,13a,13b-hexadecahydrocyclopenta[a]chrysene-3a-carboxylate
Canonical SMILES	OC[C@H]1O[C@@H](OC[C@H]2O[C@@H](OC(=O)[C@@]34CC[C@H]([C@@H]4[C@@H]4[C@](CC3)(C)[C@]3(C)CC[C@@H]5[C@]([C@H]3CC4)(C)CC[C@@H]([C@@]5(C)CO)O)C(=C)C)[C@@H]([C@H]([C@@H]2O)O)O)[C@@H]([C@H]([C@@H]1O[C@@H]1O[C@@H](C)[C@@H]([C@H]([C@H]1O)O)O)O)O
Standard InCHI	InChI=1S/C48H78O18/c1-21(2)23-10-15-48(17-16-46(6)24(30(23)48)8-9-28-44(4)13-12-29(51)45(5,20-50)27(44)11-14-47(28,46)7)43(60)66-42-37(58)34(55)32(53)26(64-42)19-61-40-38(59)35(56)39(25(18-49)63-40)65-41-36(57)33(54)31(52)22(3)62-41/h22-42,49-59H,1,8-20H2,2-7H3/t22-,23-,24+,25+,26+,27+,28+,29-,30+,31-,32+,33+,34-,35+,36+,37+,38+,39+,40+,41-,42-,44-,45-,46+,47+,48-/m0/s1
Standard InCHIKey	VNTZDFZAGFBUPV-HKINQWRBSA-N
External Identifiers	ChEMBL [CHEMBL3391872]; PubChem [10772188];
Reference of Component-Ingredient Pair	23007852

Occurrence of the ingredient across TCM components

Component ID	Latin Name	Pinyin Name	Chinese Name
TCMH109	Pulsatilla chinensis	Bai Tou Weng	白头翁

Ingredient ID: TCMC5124
Formula: C36H48O19

Common Name	Leontoside B
IUPAC Name	[4-[4,5-dihydroxy-6-methyl-3-(3,4,5-trihydroxyoxan-2-yl)oxyoxan-2-yl]oxy-5-hydroxy-6-[2-(3-hydroxy-4-methoxyphenyl)ethoxy]-2-(hydroxymethyl)oxan-3-yl] (E)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoate
Canonical SMILES	OCC1OC(OCCc2ccc(c(c2)O)OC)C(C(C1OC(=O)/C=C/c1ccc(c(c1)OC)O)OC1OC(C)C(C(C1OC1OCC(C(C1O)O)O)O)O)O
Standard InCHI	InChI=1S/C36H48O19/c1-16-26(42)28(44)33(55-34-29(45)27(43)21(40)15-50-34)36(51-16)54-32-30(46)35(49-11-10-18-5-8-22(47-2)20(39)12-18)52-24(14-37)31(32)53-25(41)9-6-17-4-7-19(38)23(13-17)48-3/h4-9,12-13,16,21,24,26-40,42-46H,10-11,14-15H2,1-3H3/b9-6+
Standard InCHIKey	ZIPURHYPGUGDEP-RMKNXTFCSA-N
External Identifiers	ChEMBL [N/A]; PubChem [6444021];
Reference of Component-Ingredient Pair	1367886

Occurrence of the ingredient across TCM components

Component ID	Latin Name	Pinyin Name	Chinese Name
TCMH109	Pulsatilla chinensis	Bai Tou Weng	白头翁

Ingredient ID: TCMC423
Formula: C18H16O5

Common Name	3,5,7-Trimethoxyflavone
IUPAC Name	3,5,7-trimethoxy-2-phenylchromen-4-one
Canonical SMILES	COc1cc(OC)c2c(c1)oc(c(c2=O)OC)c1ccccc1
Standard InCHI	InChI=1S/C18H16O5/c1-20-12-9-13(21-2)15-14(10-12)23-17(18(22-3)16(15)19)11-7-5-4-6-8-11/h4-10H,1-3H3
Standard InCHIKey	CBTHKWVPSIGKMI-UHFFFAOYSA-N
External Identifiers	ChEMBL [CHEMBL75772]; PubChem [117900];
Reference of Component-Ingredient Pair	N/A

Occurrence of the ingredient across TCM components

Component ID	Latin Name	Pinyin Name	Chinese Name
TCMH109	Pulsatilla chinensis	Bai Tou Weng	白头翁

Ingredient ID: TCMC3860
Formula: C35H56O8

Common Name	Cauloside A
IUPAC Name	(4aS,6aR,6aS,6bR,8aR,9R,10S,12aR,14bS)-9-(hydroxymethyl)-2,2,6a,6b,9,12a-hexamethyl-10-[(2S,3R,4S,5S)-3,4,5-trihydroxyoxan-2-yl]oxy-1,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropicene-4a-carboxylic acid
Canonical SMILES	OC[C@]1(C)[C@H](CC[C@]2([C@H]1CC[C@@]1([C@@H]2CC=C2[C@@]1(C)CC[C@@]1([C@H]2CC(CC1)(C)C)C(=O)[O-])C)C)O[C@@H]1OC[C@@H]([C@@H]([C@H]1O)O)O
Standard InCHI	InChI=1S/C35H56O8/c1-30(2)13-15-35(29(40)41)16-14-33(5)20(21(35)17-30)7-8-24-31(3)11-10-25(43-28-27(39)26(38)22(37)18-42-28)32(4,19-36)23(31)9-12-34(24,33)6/h7,21-28,36-39H,8-19H2,1-6H3,(H,40,41)/p-1/t21-,22-,23+,24+,25-,26-,27+,28-,31-,32-,33+,34+,35-/m0/s1
Standard InCHIKey	QUBNLZCADIYAFW-RITZIESXSA-M
External Identifiers	ChEMBL [CHEMBL452911]; PubChem [441928];
Reference of Component-Ingredient Pair	28911735

Occurrence of the ingredient across TCM components

Component ID	Latin Name	Pinyin Name	Chinese Name
TCMH109	Pulsatilla chinensis	Bai Tou Weng	白头翁
TCMH2166	Clematis chinensis	Wei Ling Xian	威灵仙

Ingredient ID: TCMC3836
Formula: C11H16O8

Common Name	Ranunculin
IUPAC Name	(2S)-2-[[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]-2H-furan-5-one
Canonical SMILES	OC[C@H]1O[C@@H](OC[C@@H]2C=CC(=O)O2)[C@@H]([C@H]([C@@H]1O)O)O
Standard InCHI	InChI=1S/C11H16O8/c12-3-6-8(14)9(15)10(16)11(19-6)17-4-5-1-2-7(13)18-5/h1-2,5-6,8-12,14-16H,3-4H2/t5-,6+,8+,9-,10+,11+/m0/s1
Standard InCHIKey	TYWXNGXVSZRXNA-NVZSGMJQSA-N
External Identifiers	ChEMBL [N/A]; PubChem [441581];
Reference of Component-Ingredient Pair	22711029

Occurrence of the ingredient across TCM components

Component ID	Latin Name	Pinyin Name	Chinese Name
TCMH109	Pulsatilla chinensis	Bai Tou Weng	白头翁

Ingredient ID: TCMC3795
Formula: C48H78O18

Common Name	Pulsatiloside A
IUPAC Name	[6-[[3,4-dihydroxy-6-(hydroxymethyl)-5-(3,4,5-trihydroxy-6-methyloxan-2-yl)oxyoxan-2-yl]oxymethyl]-3,4,5-trihydroxyoxan-2-yl] (1R,3aS,5aR,5bR,7aR,8R,9S,11aR,11bR,13aR,13bR)-9-hydroxy-8-(hydroxymethyl)-5a,5b,8,11a-tetramethyl-1-prop-1-en-2-yl-1,2,3,4,5,6,7,7a,9,10,11,11b,12,13,13a,13b-hexadecahydrocyclopenta[a]chrysene-3a-carboxylate
Canonical SMILES	OCC1OC(OCC2OC(OC(=O)[C@@]34CC[C@H]([C@@H]4[C@@H]4[C@](CC3)(C)[C@]3(C)CC[C@@H]5[C@]([C@H]3CC4)(C)CC[C@@H]([C@@]5(C)CO)O)C(=C)C)C(C(C2O)O)O)C(C(C1OC1OC(C)C(C(C1O)O)O)O)O
Standard InCHI	InChI=1S/C48H78O18/c1-21(2)23-10-15-48(17-16-46(6)24(30(23)48)8-9-28-44(4)13-12-29(51)45(5,20-50)27(44)11-14-47(28,46)7)43(60)66-42-37(58)34(55)32(53)26(64-42)19-61-40-38(59)35(56)39(25(18-49)63-40)65-41-36(57)33(54)31(52)22(3)62-41/h22-42,49-59H,1,8-20H2,2-7H3/t22?,23-,24+,25?,26?,27+,28+,29-,30+,31?,32?,33?,34?,35?,36?,37?,38?,39?,40?,41?,42?,44-,45-,46+,47+,48-/m0/s1
Standard InCHIKey	VNTZDFZAGFBUPV-LLIXODNKSA-N
External Identifiers	ChEMBL [N/A]; PubChem [399208];
Reference of Component-Ingredient Pair	23007852

Occurrence of the ingredient across TCM components

Component ID	Latin Name	Pinyin Name	Chinese Name
TCMH109	Pulsatilla chinensis	Bai Tou Weng	白头翁

Ingredient ID: TCMC3567
Formula: C41H66O13

Common Name	Calcoside D
IUPAC Name	(4aS,6aR,6aS,6bR,10S,12aR,14bR)-10-[(2S,3R,4S,5S)-4,5-dihydroxy-3-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-9-(hydroxymethyl)-2,2,6a,6b,9,12a-hexamethyl-1,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropicene-4a-carboxylic acid
Canonical SMILES	OC[C@H]1O[C@H](O[C@H]2[C@@H](OC[C@@H]([C@@H]2O)O)O[C@H]2CC[C@]3(C(C2(C)CO)CC[C@@]2([C@@H]3CC=C3[C@@]2(C)CC[C@@]2([C@@H]3CC(C)(C)CC2)C(=O)[O-])C)C)[C@@H]([C@H]([C@@H]1O)O)O
Standard InCHI	InChI=1S/C41H66O13/c1-36(2)13-15-41(35(49)50)16-14-39(5)21(22(41)17-36)7-8-26-37(3)11-10-27(38(4,20-43)25(37)9-12-40(26,39)6)53-34-32(28(45)23(44)19-51-34)54-33-31(48)30(47)29(46)24(18-42)52-33/h7,22-34,42-48H,8-20H2,1-6H3,(H,49,50)/p-1/t22-,23+,24-,25?,26-,27+,28+,29-,30+,31-,32-,33-,34+,37+,38?,39-,40-,41+/m1/s1
Standard InCHIKey	RROGHRHLBLVQSG-QHFDZABRSA-M
External Identifiers	ChEMBL [N/A]; PubChem [159898];
Reference of Component-Ingredient Pair	N/A

Occurrence of the ingredient across TCM components

Component ID	Latin Name	Pinyin Name	Chinese Name
TCMH109	Pulsatilla chinensis	Bai Tou Weng	白头翁

Ingredient ID: TCMC3565
Formula: C35H56O8

Common Name	Leontoside A
IUPAC Name	(4aS,6aR,6aS,6bR,10S,12aR,14bR)-9-(hydroxymethyl)-2,2,6a,6b,9,12a-hexamethyl-10-[(2S,3R,4S,5S)-3,4,5-trihydroxyoxan-2-yl]oxy-1,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropicene-4a-carboxylic acid
Canonical SMILES	OCC1(C)[C@H](CC[C@]2(C1CC[C@@]1([C@@H]2CC=C2[C@@]1(C)CC[C@@]1([C@@H]2CC(CC1)(C)C)C(=O)[O-])C)C)O[C@@H]1OC[C@@H]([C@@H]([C@H]1O)O)O
Standard InCHI	InChI=1S/C35H56O8/c1-30(2)13-15-35(29(40)41)16-14-33(5)20(21(35)17-30)7-8-24-31(3)11-10-25(43-28-27(39)26(38)22(37)18-42-28)32(4,19-36)23(31)9-12-34(24,33)6/h7,21-28,36-39H,8-19H2,1-6H3,(H,40,41)/p-1/t21-,22+,23?,24-,25+,26+,27-,28+,31+,32?,33-,34-,35+/m1/s1
Standard InCHIKey	QUBNLZCADIYAFW-LWXWVVBESA-M
External Identifiers	ChEMBL [N/A]; PubChem [159813];
Reference of Component-Ingredient Pair	28911735

Occurrence of the ingredient across TCM components

Component ID	Latin Name	Pinyin Name	Chinese Name
TCMH109	Pulsatilla chinensis	Bai Tou Weng	白头翁

Ingredient ID: TCMC3243
Formula: C30H48O4

Common Name	Hederagenin
IUPAC Name	(4aS,6aR,6aS,6bR,8aR,9R,10S,12aR,14bS)-10-hydroxy-9-(hydroxymethyl)-2,2,6a,6b,9,12a-hexamethyl-1,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropicene-4a-carboxylic acid
Canonical SMILES	OC[C@]1(C)[C@@H](O)CC[C@]2([C@H]1CC[C@@]1([C@@H]2CC=C2[C@@]1(C)CC[C@@]1([C@H]2CC(CC1)(C)C)C(=O)[O-])C)C
Standard InCHI	InChI=1S/C30H48O4/c1-25(2)13-15-30(24(33)34)16-14-28(5)19(20(30)17-25)7-8-22-26(3)11-10-23(32)27(4,18-31)21(26)9-12-29(22,28)6/h7,20-23,31-32H,8-18H2,1-6H3,(H,33,34)/p-1/t20-,21+,22+,23-,26-,27-,28+,29+,30-/m0/s1
Standard InCHIKey	PGOYMURMZNDHNS-MYPRUECHSA-M
External Identifiers	ChEMBL [CHEMBL486400]; PubChem [73299];
Reference of Component-Ingredient Pair	25342273

Occurrence of the ingredient across TCM components

Component ID	Latin Name	Pinyin Name	Chinese Name
TCMH287	Clematidis armandii caulis	Chuan Mu Tong	川木通
TCMH109	Pulsatilla chinensis	Bai Tou Weng	白头翁
TCMH1127	Lonicera japonica	Jin Yin Hua	金银花
TCMH1531	Akebia quinata	Mu Tong	木通
TCMH2166	Clematis chinensis	Wei Ling Xian	威灵仙

Ingredient ID: TCMC3233
Formula: C35H60O6

Common Name	Alexandrin,Daucosterol,Eleutheroside A
IUPAC Name	(2R,3R,4S,5S,6R)-2-[[(8S,9S,10R,13R,14S)-17-[(2R,5R)-5-ethyl-6-methylheptan-2-yl]-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl]oxy]-6-(hydroxymethyl)oxane-3,4,5-triol
Canonical SMILES	CC[C@@H](C(C)C)CC[C@H](C1CC[C@@H]2[C@]1(C)CC[C@H]1[C@H]2CC=C2[C@]1(C)CCC(C2)O[C@@H]1O[C@H](CO)[C@H]([C@@H]([C@H]1O)O)O)C
Standard InCHI	InChI=1S/C35H60O6/c1-7-22(20(2)3)9-8-21(4)26-12-13-27-25-11-10-23-18-24(14-16-34(23,5)28(25)15-17-35(26,27)6)40-33-32(39)31(38)30(37)29(19-36)41-33/h10,20-22,24-33,36-39H,7-9,11-19H2,1-6H3/t21-,22-,24?,25+,26?,27+,28+,29-,30-,31+,32-,33-,34+,35-/m1/s1
Standard InCHIKey	NPJICTMALKLTFW-QYDWNGEASA-N
External Identifiers	ChEMBL [N/A]; PubChem [71628];
Reference of Component-Ingredient Pair	N/A

Occurrence of the ingredient across TCM components

Component ID	Latin Name	Pinyin Name	Chinese Name
TCMH58	Typhonium giganteum	Bai Fu Zi	白附子
TCMH287	Clematidis armandii caulis	Chuan Mu Tong	川木通
TCMH407	Salvia miltiorrhiza	Dan Shen	丹参
TCMH206	Fructus xanthii sibirici	Cang Er Zi	苍耳子
TCMH86	Ampelopsis japonica	Bai Lian	白蔹
TCMH327	Eleutherococcus senticosus	Ci Wu Jia	刺五加
TCMH104	Paeonia lactiflora	Bai Shao	白芍
TCMH193	Psoralea corylifolia	Bu Gu Zhi	补骨脂
TCMH430	Canavalia gladiata	Dao Dou	刀豆
TCMH385	Sargentodoxa cuneata	Da Xue Teng	大血藤
TCMH37	Smilax china	Ba Qia	菝葜
TCMH387	Callicarpa macrophylla	Da Ye Zi Zhu	大叶紫珠
TCMH109	Pulsatilla chinensis	Bai Tou Weng	白头翁
TCMH2684	Ardisia crenata	Zhu Sha Gen	朱砂根

Ingredient ID: TCMC3214
Formula: C5H4O2

Common Name	Anemonol
IUPAC Name	5-methylidenefuran-2-one
Canonical SMILES	C=C1C=CC(=O)O1
Standard InCHI	InChI=1S/C5H4O2/c1-4-2-3-5(6)7-4/h2-3H,1H2
Standard InCHIKey	RNYZJZKPGHQTJR-UHFFFAOYSA-N
External Identifiers	ChEMBL [N/A]; PubChem [66948];
Reference of Component-Ingredient Pair	21209721

Occurrence of the ingredient across TCM components

Component ID	Latin Name	Pinyin Name	Chinese Name
TCMH109	Pulsatilla chinensis	Bai Tou Weng	白头翁
TCMH2166	Clematis chinensis	Wei Ling Xian	威灵仙

Ingredient ID: TCMC3009
Formula: C10H8O4

Common Name	Anemonin
IUPAC Name	4,7-dioxadispiro[4.0.46.25]dodeca-1,9-diene-3,8-dione
Canonical SMILES	O=C1C=CC2(O1)CCC12C=CC(=O)O1
Standard InCHI	InChI=1S/C10H8O4/c11-7-1-3-9(13-7)5-6-10(9)4-2-8(12)14-10/h1-4H,5-6H2
Standard InCHIKey	JLUQTCXCAFSSLD-UHFFFAOYSA-N
External Identifiers	ChEMBL [CHEMBL1972777]; PubChem [10496];
Reference of Component-Ingredient Pair	22728167

Occurrence of the ingredient across TCM components

Component ID	Latin Name	Pinyin Name	Chinese Name
TCMH90	Imperata cylindrica	Bai Mao Gen	白茅根
TCMH109	Pulsatilla chinensis	Bai Tou Weng	白头翁

Ingredient ID: TCMC2618
Formula: C30H48O4

Common Name	23-Hydroxy Betulic Acid
IUPAC Name	(1R,3aS,5aR,5bR,7aR,8R,9S,11aR,11bR,13aR,13bR)-9-hydroxy-8-(hydroxymethyl)-5a,5b,8,11a-tetramethyl-1-prop-1-en-2-yl-1,2,3,4,5,6,7,7a,9,10,11,11b,12,13,13a,13b-hexadecahydrocyclopenta[a]chrysene-3a-carboxylic acid
Canonical SMILES	OC[C@]1(C)[C@@H](O)CC[C@]2([C@H]1CC[C@@]1([C@@H]2CC[C@H]2[C@@]1(C)CC[C@@]1([C@@H]2[C@@H](CC1)C(=C)C)C(=O)O)C)C
Standard InCHI	InChI=1S/C30H48O4/c1-18(2)19-9-14-30(25(33)34)16-15-28(5)20(24(19)30)7-8-22-26(3)12-11-23(32)27(4,17-31)21(26)10-13-29(22,28)6/h19-24,31-32H,1,7-17H2,2-6H3,(H,33,34)/t19-,20+,21+,22+,23-,24+,26-,27-,28+,29+,30-/m0/s1
Standard InCHIKey	HXWLKAXCQLXHML-WGOZWDAUSA-N
External Identifiers	ChEMBL [CHEMBL251308]; PubChem [21672692];
Reference of Component-Ingredient Pair	21361032

Occurrence of the ingredient across TCM components

Component ID	Latin Name	Pinyin Name	Chinese Name
TCMH109	Pulsatilla chinensis	Bai Tou Weng	白头翁

Ingredient ID: TCMC2479
Formula: C41H66O12

Common Name	Alpha-Hederin
IUPAC Name	(4aS,6aR,6aS,6bR,8aR,9R,10S,12aR,14bS)-10-[(2S,3R,4S,5S)-4,5-dihydroxy-3-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-2-yl]oxy-9-(hydroxymethyl)-2,2,6a,6b,9,12a-hexamethyl-1,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropicene-4a-carboxylic acid
Canonical SMILES	OC[C@]1(C)[C@H](CC[C@]2([C@H]1CC[C@@]1([C@@H]2CC=C2[C@@]1(C)CC[C@@]1([C@H]2CC(CC1)(C)C)C(=O)O)C)C)O[C@@H]1OC[C@@H]([C@@H]([C@H]1O[C@@H]1O[C@@H](C)[C@@H]([C@H]([C@H]1O)O)O)O)O
Standard InCHI	InChI=1S/C41H66O12/c1-21-28(44)30(46)31(47)33(51-21)53-32-29(45)24(43)19-50-34(32)52-27-11-12-37(4)25(38(27,5)20-42)10-13-40(7)26(37)9-8-22-23-18-36(2,3)14-16-41(23,35(48)49)17-15-39(22,40)6/h8,21,23-34,42-47H,9-20H2,1-7H3,(H,48,49)/t21-,23-,24-,25+,26+,27-,28-,29-,30+,31+,32+,33-,34-,37-,38-,39+,40+,41-/m0/s1
Standard InCHIKey	KEOITPILCOILGM-LLJOFIFVSA-N
External Identifiers	ChEMBL [CHEMBL447565]; PubChem [73296];
Reference of Component-Ingredient Pair	14765305

Occurrence of the ingredient across TCM components

Component ID	Latin Name	Pinyin Name	Chinese Name
TCMH39	Akebia quinata	Ba Yue Zha	八月扎
TCMH109	Pulsatilla chinensis	Bai Tou Weng	白头翁
TCMH1531	Akebia quinata	Mu Tong	木通
TCMH1714	Lonicera japonica	Ren Dong Teng	忍冬藤
TCMH1127	Lonicera japonica	Jin Yin Hua	金银花
TCMH1128	Lonicera japonica	Jin Yin Hua Ti Qu Ye	金银花提取液

Ingredient ID: TCMC2450
Formula: C16H14O4

Common Name	Pinostrobin
IUPAC Name	(2S)-5-hydroxy-7-methoxy-2-phenyl-2,3-dihydrochromen-4-one
Canonical SMILES	COc1cc2O[C@@H](CC(=O)c2c(c1)O)c1ccccc1
Standard InCHI	InChI=1S/C16H14O4/c1-19-11-7-12(17)16-13(18)9-14(20-15(16)8-11)10-5-3-2-4-6-10/h2-8,14,17H,9H2,1H3/t14-/m0/s1
Standard InCHIKey	ORJDDOBAOGKRJV-AWEZNQCLSA-N
External Identifiers	ChEMBL [CHEMBL254613]; PubChem [73201];
Reference of Component-Ingredient Pair	22495442

Occurrence of the ingredient across TCM components

Component ID	Latin Name	Pinyin Name	Chinese Name
TCMH265	Laggera pterodonta	Chu Ling Dan Cao	臭灵丹草
TCMH1162	Sarcandra glabra	Jiu Jie Cha	九节茶
TCMH215	Alpinia katsumadai	Cao Dou Kou Ren	草豆蔻仁
TCMH586	Acer saccharum	Feng Shu Ye	枫树叶
TCMH859	Ormosia hosiei	Hong Dou	红豆
TCMH2664	Hypocrella bambusae	Zhu Hong Jun	竹红菌
TCMH1903	Zingiber officinale	Sheng Jiang	生姜
TCMH538	Oxytropis falcata	E Da Xia	莪大夏
TCMH109	Pulsatilla chinensis	Bai Tou Weng	白头翁
TCMH2282	Citrus medica	Xiang Yuan Pi	香橼皮
TCMH79	Sinapis alba	Bai Jie Zi	白芥子
TCMH214	Alpinia katsumadai	Cao Dou Kou	草豆蔻
TCMH2281	Citrus medica	Xiang Yuan	香橼
TCMH264	Laggera pterodonta	Chu Ling Dan	臭灵丹
TCMH221	Sarcandra glabra	Cao Shan Hu Jin Gao	草珊瑚浸膏

Ingredient ID: TCMC2428
Formula: C47H76O17

Common Name	Hederacolchiside A
IUPAC Name	(4aS,6aR,6aS,6bR,8aR,9R,10S,12aR,14bS)-9-(hydroxymethyl)-10-[(2S,3R,4S,5S)-4-hydroxy-5-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-2-yl]oxy-2,2,6a,6b,9,12a-hexamethyl-1,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropicene-4a-carboxylic acid
Canonical SMILES	OC[C@H]1O[C@@H](O[C@H]2CO[C@H]([C@@H]([C@H]2O)O[C@@H]2O[C@@H](C)[C@@H]([C@H]([C@H]2O)O)O)O[C@H]2CC[C@]3([C@H]([C@]2(C)CO)CC[C@@]2([C@@H]3CC=C3[C@@]2(C)CC[C@@]2([C@H]3CC(C)(C)CC2)C(=O)O)C)C)[C@@H]([C@H]([C@@H]1O)O)O
Standard InCHI	InChI=1S/C47H76O17/c1-22-30(50)33(53)35(55)38(60-22)64-37-32(52)26(62-39-36(56)34(54)31(51)25(19-48)61-39)20-59-40(37)63-29-11-12-43(4)27(44(29,5)21-49)10-13-46(7)28(43)9-8-23-24-18-42(2,3)14-16-47(24,41(57)58)17-15-45(23,46)6/h8,22,24-40,48-56H,9-21H2,1-7H3,(H,57,58)/t22-,24-,25+,26-,27+,28+,29-,30-,31+,32-,33+,34-,35+,36+,37+,38-,39-,40-,43-,44-,45+,46+,47-/m0/s1
Standard InCHIKey	SOLICHUQXFAOEP-YDIXZRNLSA-N
External Identifiers	ChEMBL [CHEMBL479310]; PubChem [11650910];
Reference of Component-Ingredient Pair	N/A

Occurrence of the ingredient across TCM components

Component ID	Latin Name	Pinyin Name	Chinese Name
TCMH109	Pulsatilla chinensis	Bai Tou Weng	白头翁

Ingredient ID: TCMC2407
Formula: C26H30O4

Common Name	Panduratin A
IUPAC Name	(2,6-dihydroxy-4-methoxyphenyl)-[(1R,2S,6R)-3-methyl-2-(3-methylbut-2-enyl)-6-phenylcyclohex-3-en-1-yl]methanone
Canonical SMILES	COc1cc(O)c(c(c1)O)C(=O)[C@@H]1[C@H](CC=C(C)C)C(=CC[C@H]1c1ccccc1)C
Standard InCHI	InChI=1S/C26H30O4/c1-16(2)10-12-20-17(3)11-13-21(18-8-6-5-7-9-18)24(20)26(29)25-22(27)14-19(30-4)15-23(25)28/h5-11,14-15,20-21,24,27-28H,12-13H2,1-4H3/t20-,21+,24-/m1/s1
Standard InCHIKey	LYDZCXVWCFJAKQ-ZFGGDYGUSA-N
External Identifiers	ChEMBL [CHEMBL379110]; PubChem [6483648];
Reference of Component-Ingredient Pair	16497706

Occurrence of the ingredient across TCM components

Component ID	Latin Name	Pinyin Name	Chinese Name
TCMH109	Pulsatilla chinensis	Bai Tou Weng	白头翁

Ingredient ID: TCMC2152
Formula: C19H18O6

Common Name	Tetramethylkaempferol
IUPAC Name	3,5,7-trimethoxy-2-(4-methoxyphenyl)chromen-4-one
Canonical SMILES	COc1ccc(cc1)c1oc2cc(OC)cc(c2c(=O)c1OC)OC
Standard InCHI	InChI=1S/C19H18O6/c1-21-12-7-5-11(6-8-12)18-19(24-4)17(20)16-14(23-3)9-13(22-2)10-15(16)25-18/h5-10H,1-4H3
Standard InCHIKey	YZWIIEJLESXODL-UHFFFAOYSA-N
External Identifiers	ChEMBL [CHEMBL356036]; PubChem [631095];
Reference of Component-Ingredient Pair	N/A

Occurrence of the ingredient across TCM components

Component ID	Latin Name	Pinyin Name	Chinese Name
TCMH109	Pulsatilla chinensis	Bai Tou Weng	白头翁

Ingredient ID: TCMC2138
Formula: C16H12O4

Common Name	Techtochrysin
IUPAC Name	5-hydroxy-7-methoxy-2-phenylchromen-4-one
Canonical SMILES	COc1cc(O)c2c(c1)oc(cc2=O)c1ccccc1
Standard InCHI	InChI=1S/C16H12O4/c1-19-11-7-12(17)16-13(18)9-14(20-15(16)8-11)10-5-3-2-4-6-10/h2-9,17H,1H3
Standard InCHIKey	IRZVHDLBAYNPCT-UHFFFAOYSA-N
External Identifiers	ChEMBL [CHEMBL164841]; PubChem [5281954];
Reference of Component-Ingredient Pair	21416454

Occurrence of the ingredient across TCM components

Component ID	Latin Name	Pinyin Name	Chinese Name
TCMH265	Laggera pterodonta	Chu Ling Dan Cao	臭灵丹草
TCMH2150	Cuscuta australis	Tu Si Zi Teng	菟丝子藤
TCMH2491	Alpinia oxyphylla	Yi Zhi Ren	益智仁
TCMH1519	Oroxylum indicum	Mu Hu Die	木蝴蝶
TCMH859	Ormosia hosiei	Hong Dou	红豆
TCMH2728	Aster tataricus	Zi Wan	紫菀
TCMH1823	Alpinia zerumbet	Shan Jiang	山姜
TCMH1622	Scutellaria baicalensis	Pian Qin	片芩
TCMH109	Pulsatilla chinensis	Bai Tou Weng	白头翁
TCMH562	Saposhnikovia divaricata	Fang Feng	防风
TCMH2488	Alpinia oxyphylla	Yi Zhi	益智
TCMH2148	Cuscuta australis	Tu Si Rou	菟丝肉
TCMH2149	Cuscuta australis	Tu Si Zi	菟丝子
TCMH557	Aster tataricus	Fan Hun Cao	返魂草
TCMH939	Aster tataricus	Huai Hun Cao	还魂草
TCMH1490	Aster tataricus	Mi Zi Wan	蜜紫菀
TCMH264	Laggera pterodonta	Chu Ling Dan	臭灵丹
TCMH986	Scutellaria baicalensis	Huang Qin	黄芩
TCMH989	Scutellaria baicalensis	Huang Qin Jin Gao	黄芩浸膏
TCMH990	Scutellaria baicalensis	Huang Qin Jin Gao Fen	黄芩浸膏粉
TCMH992	Scutellaria baicalensis	Huang Qin Tan	黄芩炭

Ingredient ID: TCMC2036
Formula: C16H14O5

Common Name	Sakuranetin
IUPAC Name	(2S)-5-hydroxy-2-(4-hydroxyphenyl)-7-methoxy-2,3-dihydrochromen-4-one
Canonical SMILES	COc1cc2O[C@@H](CC(=O)c2c(c1)O)c1ccc(cc1)O
Standard InCHI	InChI=1S/C16H14O5/c1-20-11-6-12(18)16-13(19)8-14(21-15(16)7-11)9-2-4-10(17)5-3-9/h2-7,14,17-18H,8H2,1H3/t14-/m0/s1
Standard InCHIKey	DJOJDHGQRNZXQQ-AWEZNQCLSA-N
External Identifiers	ChEMBL [CHEMBL448297]; PubChem [73571];
Reference of Component-Ingredient Pair	N/A

Occurrence of the ingredient across TCM components

Component ID	Latin Name	Pinyin Name	Chinese Name
TCMH2145	Achyranthes aspera	Tu Niu Xi	土牛膝
TCMH1067	Glycine max	Jiang Tan	姜炭
TCMH538	Oxytropis falcata	E Da Xia	莪大夏
TCMH109	Pulsatilla chinensis	Bai Tou Weng	白头翁
TCMH79	Sinapis alba	Bai Jie Zi	白芥子
TCMH431	Achyranthes aspera	Dao Kou Cao	倒扣草
TCMH397	Glycine max	Dan Dou Gu	淡豆鼓
TCMH416	Glycine max	Dan Xiang Chi	淡香豉
TCMH515	Glycine max	Dou You	豆油
TCMH833	Glycine max	Hei Da Dou	黑大豆
TCMH1059	Glycine max	Jiang	姜
TCMH1062	Glycine max	Jiang Gao	姜膏

Ingredient ID: TCMC2010
Formula: C19H18O7

Common Name	Retusin
IUPAC Name	2-(3,4-dimethoxyphenyl)-5-hydroxy-3,7-dimethoxychromen-4-one
Canonical SMILES	COc1cc(O)c2c(c1)oc(c(c2=O)OC)c1ccc(c(c1)OC)OC
Standard InCHI	InChI=1S/C19H18O7/c1-22-11-8-12(20)16-15(9-11)26-18(19(25-4)17(16)21)10-5-6-13(23-2)14(7-10)24-3/h5-9,20H,1-4H3
Standard InCHIKey	HHGPYJLEJGNWJA-UHFFFAOYSA-N
External Identifiers	ChEMBL [CHEMBL77966]; PubChem [5352005];
Reference of Component-Ingredient Pair	22647223

Occurrence of the ingredient across TCM components

Component ID	Latin Name	Pinyin Name	Chinese Name
TCMH2137	Pogostemon cablin	Tu Huo Xiang	土藿香
TCMH109	Pulsatilla chinensis	Bai Tou Weng	白头翁
TCMH2267	Periploca sepium	Xiang Jia Pi	香加皮
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

Ingredient ID: TCMC1898
Formula: C15H12O4

Common Name	Pinocembrin
IUPAC Name	(2S)-5,7-dihydroxy-2-phenyl-2,3-dihydrochromen-4-one
Canonical SMILES	Oc1cc2O[C@@H](CC(=O)c2c(c1)O)c1ccccc1
Standard InCHI	InChI=1S/C15H12O4/c16-10-6-11(17)15-12(18)8-13(19-14(15)7-10)9-4-2-1-3-5-9/h1-7,13,16-17H,8H2/t13-/m0/s1
Standard InCHIKey	URFCJEUYXNAHFI-ZDUSSCGKSA-N
External Identifiers	ChEMBL [CHEMBL399910]; PubChem [68071];
Reference of Component-Ingredient Pair	16133333

Occurrence of the ingredient across TCM components

Component ID	Latin Name	Pinyin Name	Chinese Name
TCMH568	Euphorbia hirta	Fei Yang Cao	飞杨草
TCMH2491	Alpinia oxyphylla	Yi Zhi Ren	益智仁
TCMH2715	Ardisia japonica	Zi Jin Niu	紫金牛
TCMH2050	Punica granatum	Suan Shi Liu	酸石榴
TCMH215	Alpinia katsumadai	Cao Dou Kou Ren	草豆蔻仁
TCMH1051	Piper sarmentosum	Jia 蒟ye	假蒟叶
TCMH1519	Oroxylum indicum	Mu Hu Die	木蝴蝶
TCMH586	Acer saccharum	Feng Shu Ye	枫树叶
TCMH859	Ormosia hosiei	Hong Dou	红豆
TCMH128	Castanea mollissima	Ban Li Ke	板栗壳
TCMH1823	Alpinia zerumbet	Shan Jiang	山姜
TCMH1889	Lycopodium japonicum	Shen Jin Cao	伸筋草
TCMH538	Oxytropis falcata	E Da Xia	莪大夏
TCMH109	Pulsatilla chinensis	Bai Tou Weng	白头翁
TCMH1880	Moschus moschiferus	She Xiang	麝香
TCMH2135	Glycyrrhiza uralensis	Tu Gan Cao	土甘草
TCMH1437	Rhododendron dauricum	Man Shan Hong	满山红
TCMH79	Sinapis alba	Bai Jie Zi	白芥子
TCMH13	Artemisia argyi	Ai Ye You	艾叶油
TCMH214	Alpinia katsumadai	Cao Dou Kou	草豆蔻
TCMH1943	Punica granatum	Shi Liu	石榴
TCMH1944	Punica granatum	Shi Liu Pi	石榴皮
TCMH1945	Punica granatum	Shi Liu Zi	石榴子
TCMH2488	Alpinia oxyphylla	Yi Zhi	益智
TCMH1462	Moschus moschiferus	Mao She Xiang	毛麝香
TCMH1463	Moschus moschiferus	Mao She Xiang Jin Gao	毛麝香浸膏
TCMH1717	Moschus moschiferus	Ren Gong She Xiang	人工麝香
TCMH12	Artemisia argyi	Ai Ye	艾叶
TCMH1045	Piper sarmentosum	Jia Ju	假蒟
TCMH628	Glycyrrhiza uralensis	Gan Cao	甘草
TCMH629	Glycyrrhiza uralensis	Gan Cao Fen	甘草粉
TCMH630	Glycyrrhiza uralensis	Gan Cao Gan Gao	甘草干膏
TCMH631	Glycyrrhiza uralensis	Gan Cao Gan Gao Fen	甘草干膏粉
TCMH632	Glycyrrhiza uralensis	Gan Cao Gan Jin Gao	甘草干浸膏
TCMH633	Glycyrrhiza uralensis	Gan Cao Gao	甘草膏
TCMH634	Glycyrrhiza uralensis	Gan Cao Jie	甘草节
TCMH635	Glycyrrhiza uralensis	Gan Cao Jin Gao	甘草浸膏
TCMH636	Glycyrrhiza uralensis	Gan Cao Liu Jin Gao	甘草流浸膏
TCMH1475	Glycyrrhiza uralensis	Mi Gan Cao	蜜甘草
TCMH1899	Glycyrrhiza uralensis	Sheng Gan Cao	生甘草

Ingredient ID: TCMC1878
Formula: C15H14O5

Common Name	Phloretin
IUPAC Name	3-(4-hydroxyphenyl)-1-(2,4,6-trihydroxyphenyl)propan-1-one
Canonical SMILES	Oc1ccc(cc1)CCC(=O)c1c(O)cc(cc1O)O
Standard InCHI	InChI=1S/C15H14O5/c16-10-4-1-9(2-5-10)3-6-12(18)15-13(19)7-11(17)8-14(15)20/h1-2,4-5,7-8,16-17,19-20H,3,6H2
Standard InCHIKey	VGEREEWJJVICBM-UHFFFAOYSA-N
External Identifiers	ChEMBL [CHEMBL45068]; PubChem [4788];
Reference of Component-Ingredient Pair	N/A

Occurrence of the ingredient across TCM components

Component ID	Latin Name	Pinyin Name	Chinese Name
TCMH123	Pteris semipinnata	Ban Bian Qi	半边旗
TCMH2710	Homo sapiens	Zi He Che	紫河车
TCMH2050	Punica granatum	Suan Shi Liu	酸石榴
TCMH109	Pulsatilla chinensis	Bai Tou Weng	白头翁
TCMH1734	Homo sapiens	Ren Zhong Bai	人中白
TCMH1943	Punica granatum	Shi Liu	石榴
TCMH1944	Punica granatum	Shi Liu Pi	石榴皮
TCMH1945	Punica granatum	Shi Liu Zi	石榴子

Ingredient ID: TCMC1852
Formula: C20H20O7

Common Name	Pentamethylquercetin
IUPAC Name	2-(3,4-dimethoxyphenyl)-3,5,7-trimethoxychromen-4-one
Canonical SMILES	COc1cc(OC)c2c(c1)oc(c(c2=O)OC)c1ccc(c(c1)OC)OC
Standard InCHI	InChI=1S/C20H20O7/c1-22-12-9-15(25-4)17-16(10-12)27-19(20(26-5)18(17)21)11-6-7-13(23-2)14(8-11)24-3/h6-10H,1-5H3
Standard InCHIKey	ALGDHWVALRSLBT-UHFFFAOYSA-N
External Identifiers	ChEMBL [CHEMBL19032]; PubChem [97332];
Reference of Component-Ingredient Pair	N/A

Occurrence of the ingredient across TCM components

Component ID	Latin Name	Pinyin Name	Chinese Name
TCMH109	Pulsatilla chinensis	Bai Tou Weng	白头翁

Ingredient ID: TCMC1178
Formula: C17H16O5

Common Name	Flavokawain C
IUPAC Name	(E)-1-(2-hydroxy-4,6-dimethoxyphenyl)-3-(4-hydroxyphenyl)prop-2-en-1-one
Canonical SMILES	COc1cc(O)c(c(c1)OC)C(=O)/C=C/c1ccc(cc1)O
Standard InCHI	InChI=1S/C17H16O5/c1-21-13-9-15(20)17(16(10-13)22-2)14(19)8-5-11-3-6-12(18)7-4-11/h3-10,18,20H,1-2H3/b8-5+
Standard InCHIKey	UXUFMIJZNYXWDX-VMPITWQZSA-N
External Identifiers	ChEMBL [CHEMBL251958]; PubChem [6293081];
Reference of Component-Ingredient Pair	N/A

Occurrence of the ingredient across TCM components

Component ID	Latin Name	Pinyin Name	Chinese Name
TCMH1975	Gnaphalium affine	Shu Qu Cao	鼠曲草
TCMH109	Pulsatilla chinensis	Bai Tou Weng	白头翁

Ingredient ID: TCMC1019
Formula: C14H12O3

Common Name	Desmethoxyyangonin
IUPAC Name	4-methoxy-6-[(E)-2-phenylethenyl]pyran-2-one
Canonical SMILES	COc1cc(/C=C/c2ccccc2)oc(=O)c1
Standard InCHI	InChI=1S/C14H12O3/c1-16-13-9-12(17-14(15)10-13)8-7-11-5-3-2-4-6-11/h2-10H,1H3/b8-7+
Standard InCHIKey	DKKJNZYHGRUXBS-BQYQJAHWSA-N
External Identifiers	ChEMBL [CHEMBL254218]; PubChem [5273621];
Reference of Component-Ingredient Pair	N/A

Occurrence of the ingredient across TCM components

Component ID	Latin Name	Pinyin Name	Chinese Name
TCMH109	Pulsatilla chinensis	Bai Tou Weng	白头翁

Properties

Ingredient ID	Formulae	Name	MW	AlogP	MlogP	XlogP	# HBA	# HBD	PSA	# Rotatable Bond	# Ring	# Heacy Atom	Lipinski RO5 Violation
TCMC423	C18H16O5	3,5,7-Trimethoxyflavone	312.1	-0.9991	2.89	4.441	2	0	53.99	7	3	23	0
TCMC799	C22H22O8	Beta-Peltatin A	414.13	-1.129	3	1.326	2	1	92.68	8	5	30	0
TCMC870	C16H14O4	Cardamomin	270.09	-0.8751	2.78	4.338	1	2	66.76	7	2	20	0
TCMC909	C17H14O4	Chrysin Dimethyl Ether	282.09	-0.6072	2.89	4.201	1	0	44.76	5	3	21	0
TCMC1019	C14H12O3	Desmethoxyyangonin	228.08	0.2602	2.67	4.878	3	0	35.53	4	2	17	0
TCMC1178	C17H16O5	Flavokawain C	300.1	-0.9269	2.78	2.839	1	2	75.99	9	2	22	0
TCMC1852	C20H20O7	Pentamethylquercetin	372.12	-1.1027	2.89	2.92	2	0	72.45	11	3	27	0
TCMC1878	C15H14O5	Phloretin	274.08	-2.0078	2.56	1.978	1	4	97.99	8	2	20	0
TCMC1898	C15H12O4	Pinocembrin	256.07	-1.3541	2.67	2.493	1	2	66.76	3	3	19	0
TCMC2010	C19H18O7	Retusin	358.11	-1.5112	2.78	2.401	2	1	83.45	10	3	26	0
TCMC2036	C16H14O5	Sakuranetin	286.08	-1.4059	2.67	1.416	1	2	75.99	5	3	21	0
TCMC2138	C16H12O4	Techtochrysin	268.07	-1.0157	2.78	3.682	1	1	55.76	4	3	20	0
TCMC2152	C19H18O6	Tetramethylkaempferol	342.11	-1.0509	2.89	3.364	2	0	63.22	9	3	25	0
TCMC2407	C26H30O4	Panduratin A	406.21	1.1457	3.88	7.522	1	2	66.76	12	3	30	1
TCMC2428	C47H76O17	Hederacolchiside A	912.51	-3.1909	4.76	4.684	17	10	274.75	26	8	64	2
TCMC2450	C16H14O4	Pinostrobin	270.09	-0.9456	2.78	3.012	1	1	55.76	4	3	20	0
TCMC2479	C41H66O12	Alpha-Hederin	750.46	-1.444	4.65	6.221	12	7	195.6	20	7	53	3
TCMC2618	C30H48O4	23-Hydroxy Betulic Acid	472.36	1.2588	4.32	8.704	4	3	77.76	11	5	34	1
TCMC3009	C10H8O4	Anemonin	192.0422587	0.4814	2.12	0.492	4	0	52.6	0	3	14	0
TCMC3214	C5H4O2	Anemonol	96.02112937	0.5307	1.79	0.674	2	0	26.3	0	1	7	0
TCMC3233	C35H60O6	Alexandrin,Daucosterol,Eleutheroside A	576.4389896	-0.4469	4.65	10.487	6	4	99.38	9	5	41	1
TCMC3243	C30H48O4	Hederagenin	471.347435	0.3613	4.32	7.868	4	2	80.59	2	5	34	1
TCMC3565	C35H56O8	Leontoside A	603.3896937	-0.8749	4.43	6.574	8	4	139.51	4	6	43	1
TCMC3567	C41H66O13	Calcoside D	765.4425171	-2.6218	4.54	5.037	13	7	218.66	7	7	54	3
TCMC3795	C48H78O18	Pulsatiloside A	942.5188157	-3.6394	4.76	4.598	18	11	294.98	11	8	66	3
TCMC3836	C11H16O8	Ranunculin	276.0845175	-1.976	1.79	-1.406	8	4	125.68	4	2	19	0
TCMC3860	C35H56O8	Cauloside A	603.3896937	-0.8749	4.43	6.574	8	4	139.51	4	6	43	1
TCMC5124	C36H48O19	Leontoside B	784.2789793	-4.717	3.33	-1.316	15	9	282.21	15	5	55	3
TCMC5480	C48H78O18	Pulsatilloside C	942.5188157	-3.6394	4.76	4.598	18	11	294.98	11	8	66	3
TCMC5490	C35H56O8	Pulsatilloside A	603.3896937	-0.6552	4.43	6.929	8	4	139.51	5	6	43	1
TCMC5497	C42H68O14	Pulsatilloside B	796.4609069	-2.3925	4.54	5.861	14	9	236.06	9	7	56	3
TCMC5552	C59H96O25	Cussosaponin C	1204.624069	-5.0318	5.2	3.602	25	14	392.59	14	10	84	3
TCMC5768	C41H66O12	Anemoside A3	749.4476025	-1.9021	4.65	6.095	12	6	198.43	7	7	53	3
TCMC5780	C32H50O4	3Β-Acetoxyolean-12-En-28-Oic Acid	497.363085	1.8311	4.54	9.311	4	0	66.43	3	5	36	1
TCMC6908	C10H8O4	Anemonin	192.0422587	0.4814	2.12	0.492	4	0	52.6	0	3	14	0

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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: Pulsatilla chinensis 白头翁

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: TCMC909

Occurrence of the ingredient across TCM components

Ingredient ID: TCMC870

Occurrence of the ingredient across TCM components

Ingredient ID: TCMC799

Occurrence of the ingredient across TCM components

Ingredient ID: TCMC6908

Occurrence of the ingredient across TCM components

Ingredient ID: TCMC5780

Occurrence of the ingredient across TCM components

Ingredient ID: TCMC5768

Occurrence of the ingredient across TCM components

Ingredient ID: TCMC5552

Occurrence of the ingredient across TCM components

Ingredient ID: TCMC5497

Occurrence of the ingredient across TCM components

Ingredient ID: TCMC5490

Occurrence of the ingredient across TCM components

Ingredient ID: TCMC5480

Occurrence of the ingredient across TCM components

Ingredient ID: TCMC5124

Occurrence of the ingredient across TCM components

Ingredient ID: TCMC423

Occurrence of the ingredient across TCM components

Ingredient ID: TCMC3860

Occurrence of the ingredient across TCM components

Ingredient ID: TCMC3836

Occurrence of the ingredient across TCM components

Ingredient ID: TCMC3795

Occurrence of the ingredient across TCM components

Ingredient ID: TCMC3567

Occurrence of the ingredient across TCM components

Ingredient ID: TCMC3565

Occurrence of the ingredient across TCM components

Ingredient ID: TCMC3243

Occurrence of the ingredient across TCM components

Ingredient ID: TCMC3233

Occurrence of the ingredient across TCM components

Ingredient ID: TCMC3214

Occurrence of the ingredient across TCM components

Ingredient ID: TCMC3009

Occurrence of the ingredient across TCM components

Ingredient ID: TCMC2618

Occurrence of the ingredient across TCM components

Ingredient ID: TCMC2479

Occurrence of the ingredient across TCM components

Ingredient ID: TCMC2450

Occurrence of the ingredient across TCM components

Ingredient ID: TCMC2428

Occurrence of the ingredient across TCM components

Ingredient ID: TCMC2407

Occurrence of the ingredient across TCM components

Ingredient ID: TCMC2152

Occurrence of the ingredient across TCM components

Ingredient ID: TCMC2138

Occurrence of the ingredient across TCM components

Ingredient ID: TCMC2036

Occurrence of the ingredient across TCM components

Ingredient ID: TCMC2010