TCM-ID Component

Description of the Component

Component ID	TCMH1814
Latin Name	Sophora subprostrata
English Name	Tonkin sophora root
Chinese Pinyin Name	Shan Dou Gen
中文名	山豆根
TCM Properties	Cold,Bitter
TCM Meridians	Lung,Stomach
Therapeutic Class English	Heat clearence
Therapeutic Class Chinese	清热
Functions	remove toxic heat, promote the subsidence of swelling, and soothe the sore throat
Toxicity	NA
Geo-authentic habitats (道地产区)	Guangxi Province
Reference	Chinese Pharmacopoeia (2015)
Barcode ID
Barcode Source

TCM Prescriptions with the Component

Prescription ID	Prescription English Name	Prescription Chinese Name
TCMFx3615	Bi Yan Ling Tablets	鼻咽灵片
TCMFx1169	Bi Yan Ling Tablet	鼻咽灵片
TCMFx3765	Bing Mei Shang Qing Pills	冰梅上清丸
TCMF2073	Danger Relieving Decoction
TCMFx7188	Fu Fang Liang Mian Zhen Han Tablets	复方两面针含片
TCMFx3798	Fu Fang Mu Ji Granules	复方木鸡颗粒
TCMF785	Fu Fang Yi Gan Pills	复方益肝丸
TCMFx3674	Gan Yan Ling Zhu She Oral Liquid	肝炎灵注射液
TCMFx858	Gui Lin Xi Gua Shuang	桂林西瓜霜
TCMFx4109	Gui Lin Xi Gua Shuang	桂林西瓜霜
TCMFx4116	Gui Lin Xi Gua Shuang Capsules	桂林西瓜霜胶囊
TCMFx7058	Gui Lin Xi Gua Shuang Han Tablets	桂林西瓜霜含片
TCMFx1042	Hou Ji Ling Capsule	喉疾灵胶囊
TCMFx4505	Hou Ji Ling Capsules	喉疾灵胶囊
TCMFx4515	Hou Ji Ling Tablets	喉疾灵片
TCMFx4542	Hou Tong Jie Du Pills	喉痛解毒丸
TCMF4566	Hou Tong Tablets	喉痛片
TCMF4040	Kang Bian Tao Xian Yan Recipe	抗扁桃腺炎合剂
TCMF4049	Kang Bing Du Granules	抗病毒颗粒
TCMFx22	Kou Yan Qing Pills	口咽清丸
TCMFx4957	Lv Pao Powder	绿袍散
TCMF5231	Qing Ge Pills	清膈丸
TCMF1089	Qing Ge Pills	清膈丸
TCMF7424	Qing Liang Powder	清凉散
TCMF5675	Qing Re Yang Yin Pills	清热养阴丸
TCMF68	Qing Yan Run Hou Pills	清咽润喉丸
TCMF4958	Qing Yan Run Hou Pills	清咽润喉丸
TCMF4967	Qing Yan Yi Huo Pills	清咽抑火丸
TCMFx5006	Qing Yu Bi Wen Dan	庆余辟瘟丹
TCMFx490	Qing Yu Pi Wen Dan	庆余辟瘟丹
TCMF5042	Qiu Zao Gan Mao Granules	秋燥感冒颗粒
TCMF5721	Ruan Jian Yao Decoction	软坚药水
TCMFx5713	Ruan Shi Shang Qing Pills	阮氏上清丸
TCMFx7011	Shang Granulesng Spray	伤科灵喷雾剂
TCMFx5041	She Shang Jie Du Tablets	蛇伤解毒片
TCMFx7211	Shu Yan Qing Spray	舒咽清喷雾剂
TCMF7132	Shuang Liao Hou Feng Han Tablets	双料喉风含片
TCMF5693	Shuang Liao Hou Feng Powder	双料喉风散
TCMF5156	Tou Biao Hui Chun Pills	透表回春丸
TCMFx6690	Yun Xiang Jing	云香精

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
TCMT133	CA1	Carbonic anhydrase I	Lyase	P00915
TCMT134	CA2	Carbonic anhydrase II	Lyase	P00918
TCMT136	CA12	Carbonic anhydrase XII	Lyase	O43570
TCMT138	CA7	Carbonic anhydrase VII	Lyase	P43166
TCMT142	CA4	Carbonic anhydrase IV	Lyase	P22748
TCMT150	RORC	Nuclear receptor ROR-gamma	Nuclear receptor	P51449
TCMT156	CYP19A1	Cytochrome P450 19A1	Oxidoreductase	P11511
TCMT162	UGT1A1	UDP-glucuronosyltransferase 1-1	Transferase	P22309
TCMT2	MAPT	Microtubule-associated protein tau	Unclassified	P10636
TCMT223	AKR1B1	Aldose reductase	Oxidoreductase	P15121
TCMT236	ESR2	Estrogen receptor beta	Nuclear receptor	Q92731
TCMT237	SLC5A1	Sodium/glucose cotransporter 1	Transporter	P13866
TCMT238	SLC5A2	Sodium/glucose cotransporter 2	Transporter	P31639
TCMT240	AMY1A	Salivary alpha-amylase	Unclassified	P04745
TCMT276	SLCO2B1	Solute carrier organic anion transporter family member 2B1	Transporter	O94956
TCMT277	SLCO1B3	Solute carrier organic anion transporter family member 1B3	Transporter	Q9NPD5
TCMT278	SLCO1B1	Solute carrier organic anion transporter family member 1B1	Transporter	Q9Y6L6
TCMT280	AKR1B10	Aldo-keto reductase family 1 member B10	Oxidoreductase	O60218
TCMT31	CYP2C19	Cytochrome P450 2C19	Oxidoreductase	P33261
TCMT33	CYP3A4	Cytochrome P450 3A4	Oxidoreductase	P08684
TCMT34	CYP2D6	Cytochrome P450 2D6	Oxidoreductase	P10635
TCMT423	EGFR	Epidermal growth factor receptor erbB1	Kinase	P00533
TCMT6	NFKB1	Nuclear factor NF-kappa-B p105 subunit	Transcription factor	P19838
TCMT63	PPARA	Peroxisome proliferator-activated receptor alpha	Nuclear receptor	Q07869
TCMT64	PPARD	Peroxisome proliferator-activated receptor delta	Nuclear receptor	Q03181
TCMT65	HSD17B1	Estradiol 17-beta-dehydrogenase 1	Oxidoreductase	P14061
TCMT66	HSD17B2	Estradiol 17-beta-dehydrogenase 2	Oxidoreductase	P37059
TCMT67	PPARG	Peroxisome proliferator-activated receptor gamma	Nuclear receptor	P37231
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
TCMT1099	Neuraminidase

Ingredient Structrues

Ingredient ID: TCMC983
Formula: C15H10O4

Common Name	Daidzein
IUPAC Name	7-hydroxy-3-(4-hydroxyphenyl)chromen-4-one
Canonical SMILES	Oc1ccc(cc1)c1coc2c(c1=O)ccc(c2)O
Standard InCHI	InChI=1S/C15H10O4/c16-10-3-1-9(2-4-10)13-8-19-14-7-11(17)5-6-12(14)15(13)18/h1-8,16-17H
Standard InCHIKey	ZQSIJRDFPHDXIC-UHFFFAOYSA-N
External Identifiers	ChEMBL [CHEMBL8145]; PubChem [5281708];
Reference of Component-Ingredient Pair	29217487

Occurrence of the ingredient across TCM components

Component ID	Latin Name	Pinyin Name	Chinese Name
TCMH1165	Murraya paniculata	Jiu Li Xiang	九里香
TCMH679	Pueraria lobata	Ge Hua	葛花
TCMH1538	Baphicacanthus cusia	Nan Ban Lan Gen Jin Gao Fen	南板蓝根浸膏粉
TCMH985	Astragalus membranaceus	Huang Qi Ti Qu Ye	黄芪提取液
TCMH1814	Sophora subprostrata	Shan Dou Gen	山豆根
TCMH2375	Trigonella foenum-graecum	Yan Hu Lu Ba	盐胡芦巴
TCMH1212	Melia azedarach	Ku Lian Zi	苦楝子
TCMH2710	Homo sapiens	Zi He Che	紫河车
TCMH1067	Glycine max	Jiang Tan	姜炭
TCMH1038	Spatholobus suberectus	Ji Xue Teng Gao	鸡血藤膏
TCMH538	Oxytropis falcata	E Da Xia	莪大夏
TCMH494	Cordyceps sinensis	Dong Chong Xia Cao	冬虫夏草
TCMH2135	Glycyrrhiza uralensis	Tu Gan Cao	土甘草
TCMH79	Sinapis alba	Bai Jie Zi	白芥子
TCMH1734	Homo sapiens	Ren Zhong Bai	人中白
TCMH310	Melia azedarach	Chuan Lian	川楝
TCMH1211	Melia azedarach	Ku Lian Pi	苦楝皮
TCMH981	Astragalus membranaceus	Huang Qi	黄芪
TCMH983	Astragalus membranaceus	Huang Qi Gan Jin Gao	黄芪干浸膏
TCMH984	Astragalus membranaceus	Huang Qi Jin Gao	黄芪浸膏
TCMH469	Spatholobus suberectus	Dian Ji Xue Teng Gao Fen	滇鸡血藤膏粉
TCMH1036	Spatholobus suberectus	Ji Xue Teng	鸡血藤
TCMH1037	Spatholobus suberectus	Ji Xue Teng Gan Gao	鸡血藤干膏
TCMH644	Pueraria lobata	Gan Ge	干葛
TCMH677	Pueraria lobata	Ge Gen	葛根
TCMH678	Pueraria lobata	Ge Gen Gan Jin Gao	葛根干浸膏
TCMH1537	Baphicacanthus cusia	Nan Ban Lan Gen	南板蓝根
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
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: TCMC7337
Formula: C15H24N2O2

Common Name	Oxymatrine
IUPAC Name	(1R,2R,9S,13S,17S)-13-oxido-7-aza-13-azoniatetracyclo[7.7.1.02,7.013,17]heptadecan-6-one
Canonical SMILES	O=C1CCC[C@H]2N1C[C@@H]1CCC[N@+]3([C@@H]1[C@@H]2CCC3)[O-]
Standard InCHI	InChI=1S/C15H24N2O2/c18-14-7-1-6-13-12-5-3-9-17(19)8-2-4-11(15(12)17)10-16(13)14/h11-13,15H,1-10H2/t11-,12+,13+,15-,17-/m0/s1
Standard InCHIKey	XVPBINOPNYFXID-KAHWEZKRSA-N
External Identifiers	ChEMBL [N/A]; PubChem [124708617];
Reference of Component-Ingredient Pair	N/A

Occurrence of the ingredient across TCM components

Component ID	Latin Name	Pinyin Name	Chinese Name
TCMH1215	Sophora flavescens	Ku Shen	苦参
TCMH1814	Sophora subprostrata	Shan Dou Gen	山豆根

Ingredient ID: TCMC7249
Formula: C48H78O19

Common Name	Soyasaponin A3
IUPAC Name	(2S,3S,4S,5R,6R)-6-[[(3S,4S,4aR,6aR,6bS,8aR,9S,10R,12aS,14aR,14bR)-9,10-dihydroxy-4-(hydroxymethyl)-4,6a,6b,8a,11,11,14b-heptamethyl-1,2,3,4a,5,6,7,8,9,10,12,12a,14,14a-tetradecahydropicen-3-yl]oxy]-5-[(2S,3R,4S,5R,6R)-4,5-dihydroxy-6-(hydroxymethyl)-3-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-2-yl]oxy-3,4-dihydroxyoxane-2-carboxylic acid
Canonical SMILES	OC[C@H]1O[C@@H](O[C@H]2[C@@H](O[C@@H]([C@H]([C@@H]2O)O)C(=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)[C@H]([C@H]2O)O)C)C)C)[C@@H]([C@H]([C@H]1O)O)O[C@@H]1O[C@@H](C)[C@@H]([C@H]([C@H]1O)O)O
Standard InCHI	InChI=1S/C48H78O19/c1-20-27(51)29(53)33(57)40(62-20)66-35-30(54)28(52)23(18-49)63-41(35)67-36-32(56)31(55)34(39(60)61)65-42(36)64-26-12-13-45(5)24(46(26,6)19-50)11-14-48(8)25(45)10-9-21-22-17-43(2,3)37(58)38(59)44(22,4)15-16-47(21,48)7/h9,20,22-38,40-42,49-59H,10-19H2,1-8H3,(H,60,61)/p-1/t20-,22-,23+,24+,25+,26-,27-,28-,29+,30-,31-,32-,33+,34-,35+,36+,37-,38+,40-,41-,42+,44+,45-,46+,47+,48+/m0/s1
Standard InCHIKey	NQGDGFITHGCDAO-ULCPARNTSA-M
External Identifiers	ChEMBL [N/A]; PubChem [101987000];
Reference of Component-Ingredient Pair	N/A

Occurrence of the ingredient across TCM components

Component ID	Latin Name	Pinyin Name	Chinese Name
TCMH834	Semen glycine max	Hei Dou	黑豆
TCMH1814	Sophora subprostrata	Shan Dou Gen	山豆根

Ingredient ID: TCMC7129
Formula: C48H74O20

Common Name	Abrisaponin I
IUPAC Name	(2S,3S,4S,5R,6R)-6-[[(3S,4S,4aR,6aR,6bS,8aR,11R,12aS,14aR,14bR)-11-carboxy-4-(hydroxymethyl)-4,6a,6b,8a,11,14b-hexamethyl-9-oxo-2,3,4a,5,6,7,8,10,12,12a,14,14a-dodecahydro-1H-picen-3-yl]oxy]-5-[(2S,3R,4S,5R,6R)-4,5-dihydroxy-6-(hydroxymethyl)-3-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-2-yl]oxy-3,4-dihydroxyoxane-2-carboxylic acid
Canonical SMILES	OC[C@H]1O[C@@H](O[C@H]2[C@@H](O[C@@H]([C@H]([C@@H]2O)O)C(=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]3C[C@](C)(CC2=O)C(=O)[O-])C)C)C)[C@@H]([C@H]([C@H]1O)O)O[C@@H]1O[C@@H](C)[C@@H]([C@H]([C@H]1O)O)O
Standard InCHI	InChI=1S/C48H74O20/c1-20-28(52)30(54)34(58)39(63-20)67-36-31(55)29(53)23(18-49)64-40(36)68-37-33(57)32(56)35(38(59)60)66-41(37)65-27-11-12-45(4)24(46(27,5)19-50)10-13-48(7)25(45)9-8-21-22-16-43(2,42(61)62)17-26(51)44(22,3)14-15-47(21,48)6/h8,20,22-25,27-37,39-41,49-50,52-58H,9-19H2,1-7H3,(H,59,60)(H,61,62)/p-2/t20-,22-,23+,24+,25+,27-,28-,29-,30+,31-,32-,33-,34+,35-,36+,37+,39-,40-,41+,43+,44+,45-,46+,47+,48+/m0/s1
Standard InCHIKey	JSLMCQLSDGMMRX-YOXFGXDMSA-L
External Identifiers	ChEMBL [N/A]; PubChem [101586258];
Reference of Component-Ingredient Pair	N/A

Occurrence of the ingredient across TCM components

Component ID	Latin Name	Pinyin Name	Chinese Name
TCMH1020	Abrus fruticulosus	Ji Gu Cao	鸡骨草
TCMH1814	Sophora subprostrata	Shan Dou Gen	山豆根

Ingredient ID: TCMC6433
Formula: C30H48O4

Common Name	Wistariasapogenol A
IUPAC Name	(2R,4aR,6aR,6aS,6bR,8aR,9S,10S,12aR,14bS)-10-hydroxy-2,9-bis(hydroxymethyl)-2,4a,6a,6b,9,12a-hexamethyl-3,5,6,6a,7,8,8a,10,11,12,13,14b-dodecahydro-1H-picen-4-one
Canonical SMILES	OC[C@@]1(C)CC(=O)[C@]2([C@@H](C1)C1=CC[C@H]3[C@@]([C@@]1(CC2)C)(C)CC[C@@H]1[C@]3(C)CC[C@@H]([C@]1(C)CO)O)C
Standard InCHI	InChI=1S/C30H48O4/c1-25(17-31)15-20-19-7-8-22-27(3)11-10-23(33)28(4,18-32)21(27)9-12-30(22,6)29(19,5)14-13-26(20,2)24(34)16-25/h7,20-23,31-33H,8-18H2,1-6H3/t20-,21+,22+,23-,25+,26+,27-,28+,29+,30+/m0/s1
Standard InCHIKey	MCXBUCDXRNABAN-MMZUORMZSA-N
External Identifiers	ChEMBL [N/A]; PubChem [21594208];
Reference of Component-Ingredient Pair	N/A

Occurrence of the ingredient across TCM components

Component ID	Latin Name	Pinyin Name	Chinese Name
TCMH1814	Sophora subprostrata	Shan Dou Gen	山豆根

Ingredient ID: TCMC6178
Formula: C30H50O4

Common Name	Abrisapogenol C
IUPAC Name	(2R,3R,4S,4aR,6aR,6aS,6bR,8aR,10S,12aR,14bS)-2-(hydroxymethyl)-2,4a,6a,6b,9,9,12a-heptamethyl-1,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropicene-3,4,10-triol
Canonical SMILES	OC[C@@]1(C)C[C@H]2C3=CC[C@H]4[C@@]([C@]3(C)CC[C@]2([C@@H]([C@@H]1O)O)C)(C)CC[C@@H]1[C@]4(C)CC[C@@H](C1(C)C)O
Standard InCHI	InChI=1S/C30H50O4/c1-25(2)20-10-13-30(7)21(28(20,5)12-11-22(25)32)9-8-18-19-16-26(3,17-31)23(33)24(34)27(19,4)14-15-29(18,30)6/h8,19-24,31-34H,9-17H2,1-7H3/t19-,20-,21+,22-,23-,24+,26+,27+,28-,29+,30+/m0/s1
Standard InCHIKey	CSHFZVTYURMCRK-LMDNQKESSA-N
External Identifiers	ChEMBL [N/A]; PubChem [14587365];
Reference of Component-Ingredient Pair	15256713

Occurrence of the ingredient across TCM components

Component ID	Latin Name	Pinyin Name	Chinese Name
TCMH1020	Abrus fruticulosus	Ji Gu Cao	鸡骨草
TCMH1814	Sophora subprostrata	Shan Dou Gen	山豆根

Ingredient ID: TCMC6146
Formula: C30H50O3

Common Name	Abrisapogenol D
IUPAC Name	(3S,4aR,6aR,6bS,8aR,9R,11R,12aS,14aR,14bR)-11-(hydroxymethyl)-4,4,6a,6b,8a,11,14b-heptamethyl-1,2,3,4a,5,6,7,8,9,10,12,12a,14,14a-tetradecahydropicene-3,9-diol
Canonical SMILES	OC[C@@]1(C)C[C@@H](O)[C@]2([C@@H](C1)C1=CC[C@H]3[C@@]([C@@]1(CC2)C)(C)CC[C@@H]1[C@]3(C)CC[C@@H](C1(C)C)O)C
Standard InCHI	InChI=1S/C30H50O3/c1-25(2)21-10-13-30(7)22(28(21,5)12-11-23(25)32)9-8-19-20-16-26(3,18-31)17-24(33)27(20,4)14-15-29(19,30)6/h8,20-24,31-33H,9-18H2,1-7H3/t20-,21-,22+,23-,24+,26+,27+,28-,29+,30+/m0/s1
Standard InCHIKey	FNQMKNAFKUCFHU-UOPKKJJPSA-N
External Identifiers	ChEMBL [N/A]; PubChem [14335975];
Reference of Component-Ingredient Pair	8814953

Occurrence of the ingredient across TCM components

Component ID	Latin Name	Pinyin Name	Chinese Name
TCMH1020	Abrus fruticulosus	Ji Gu Cao	鸡骨草
TCMH1814	Sophora subprostrata	Shan Dou Gen	山豆根

Ingredient ID: TCMC6144
Formula: C30H50O4

Common Name	Abrisapogenol E
IUPAC Name	(3S,4S,4aR,6aR,6bS,8aR,9R,11R,12aS,14aR,14bR)-4,11-bis(hydroxymethyl)-4,6a,6b,8a,11,14b-hexamethyl-1,2,3,4a,5,6,7,8,9,10,12,12a,14,14a-tetradecahydropicene-3,9-diol
Canonical SMILES	OC[C@@]1(C)C[C@@H](O)[C@]2([C@@H](C1)C1=CC[C@H]3[C@@]([C@@]1(CC2)C)(C)CC[C@@H]1[C@]3(C)CC[C@@H]([C@]1(C)CO)O)C
Standard InCHI	InChI=1S/C30H50O4/c1-25(17-31)15-20-19-7-8-22-27(3)11-10-23(33)28(4,18-32)21(27)9-12-30(22,6)29(19,5)14-13-26(20,2)24(34)16-25/h7,20-24,31-34H,8-18H2,1-6H3/t20-,21+,22+,23-,24+,25+,26+,27-,28+,29+,30+/m0/s1
Standard InCHIKey	VEDTYRJAYMXHSG-ZNAAODMYSA-N
External Identifiers	ChEMBL [N/A]; PubChem [14335966];
Reference of Component-Ingredient Pair	N/A

Occurrence of the ingredient across TCM components

Component ID	Latin Name	Pinyin Name	Chinese Name
TCMH1020	Abrus fruticulosus	Ji Gu Cao	鸡骨草
TCMH1814	Sophora subprostrata	Shan Dou Gen	山豆根

Ingredient ID: TCMC5962
Formula: C15H24N2O2

Common Name	Sophoranol
IUPAC Name	(1R,2R,9R,17R)-9-hydroxy-7,13-diazatetracyclo[7.7.1.02,7.013,17]heptadecan-6-one
Canonical SMILES	O=C1CCC[C@H]2N1C[C@]1(O)CCC[NH+]3[C@@H]1[C@@H]2CCC3
Standard InCHI	InChI=1S/C15H24N2O2/c18-13-6-1-5-12-11-4-2-8-16-9-3-7-15(19,14(11)16)10-17(12)13/h11-12,14,19H,1-10H2/p+1/t11-,12-,14-,15-/m1/s1
Standard InCHIKey	VQYBAEAOOJBSTR-QHSBEEBCSA-O
External Identifiers	ChEMBL [CHEMBL3590537]; PubChem [12442899];
Reference of Component-Ingredient Pair	26132528

Occurrence of the ingredient across TCM components

Component ID	Latin Name	Pinyin Name	Chinese Name
TCMH1215	Sophora flavescens	Ku Shen	苦参
TCMH1814	Sophora subprostrata	Shan Dou Gen	山豆根

Ingredient ID: TCMC5959
Formula: C30H50O4

Common Name	Soyasapogenol A
IUPAC Name	(3R,4S,4aR,6aR,6aS,6bR,8aR,9S,10S,12aR,14bS)-9-(hydroxymethyl)-2,2,4a,6a,6b,9,12a-heptamethyl-1,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropicene-3,4,10-triol
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([C@H]([C@H]1O)O)(C)C)C)C)C
Standard InCHI	InChI=1S/C30H50O4/c1-25(2)16-19-18-8-9-21-27(4)12-11-22(32)28(5,17-31)20(27)10-13-30(21,7)29(18,6)15-14-26(19,3)24(34)23(25)33/h8,19-24,31-34H,9-17H2,1-7H3/t19-,20+,21+,22-,23-,24+,26+,27-,28+,29+,30+/m0/s1
Standard InCHIKey	CDDWAYFUFNQLRZ-KJVHGCRFSA-N
External Identifiers	ChEMBL [CHEMBL1762006]; PubChem [12442849];
Reference of Component-Ingredient Pair	12428942

Occurrence of the ingredient across TCM components

Component ID	Latin Name	Pinyin Name	Chinese Name
TCMH834	Semen glycine max	Hei Dou	黑豆
TCMH1814	Sophora subprostrata	Shan Dou Gen	山豆根

Ingredient ID: TCMC5241
Formula: C30H50O2

Common Name	Sophoradiol
IUPAC Name	(3S,4aR,6aR,6bS,8aR,9R,12aS,14aR,14bR)-4,4,6a,6b,8a,11,11,14b-octamethyl-1,2,3,4a,5,6,7,8,9,10,12,12a,14,14a-tetradecahydropicene-3,9-diol
Canonical SMILES	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)C[C@H]1O)C)C)C
Standard InCHI	InChI=1S/C30H50O2/c1-25(2)17-20-19-9-10-22-28(6)13-12-23(31)26(3,4)21(28)11-14-30(22,8)29(19,7)16-15-27(20,5)24(32)18-25/h9,20-24,31-32H,10-18H2,1-8H3/t20-,21-,22+,23-,24+,27+,28-,29+,30+/m0/s1
Standard InCHIKey	ZEGUWBQDYDXBNS-FVFJQADASA-N
External Identifiers	ChEMBL [N/A]; PubChem [9846221];
Reference of Component-Ingredient Pair	24168266

Occurrence of the ingredient across TCM components

Component ID	Latin Name	Pinyin Name	Chinese Name
TCMH677	Pueraria lobata	Ge Gen	葛根
TCMH1020	Abrus fruticulosus	Ji Gu Cao	鸡骨草
TCMH938	Sophora japonica	Huai Hua	槐花
TCMH1814	Sophora subprostrata	Shan Dou Gen	山豆根

Ingredient ID: TCMC4931
Formula: C15H20N2O

Common Name	Anagyrine
IUPAC Name	(1R,9R,10R)-7,15-diazatetracyclo[7.7.1.02,7.010,15]heptadeca-2,4-dien-6-one
Canonical SMILES	O=c1cccc2n1C[C@H]1C[C@@H]2C[NH+]2[C@@H]1CCCC2
Standard InCHI	InChI=1S/C15H20N2O/c18-15-6-3-5-14-11-8-12(10-17(14)15)13-4-1-2-7-16(13)9-11/h3,5-6,11-13H,1-2,4,7-10H2/p+1/t11-,12-,13-/m1/s1
Standard InCHIKey	FQEQMASDZFXSJI-JHJVBQTASA-O
External Identifiers	ChEMBL [CHEMBL509692]; PubChem [5351589];
Reference of Component-Ingredient Pair	28494312

Occurrence of the ingredient across TCM components

Component ID	Latin Name	Pinyin Name	Chinese Name
TCMH1215	Sophora flavescens	Ku Shen	苦参
TCMH1814	Sophora subprostrata	Shan Dou Gen	山豆根

Ingredient ID: TCMC4862
Formula: C30H34O4

Common Name	Sophoranochromene
IUPAC Name	(2S)-2-[2,2-dimethyl-8-(3-methylbut-2-enyl)chromen-6-yl]-7-hydroxy-8-(3-methylbut-2-enyl)-2,3-dihydrochromen-4-one
Canonical SMILES	CC(=CCc1c(O)ccc2c1O[C@@H](CC2=O)c1cc(CC=C(C)C)c2c(c1)C=CC(O2)(C)C)C
Standard InCHI	InChI=1S/C30H34O4/c1-18(2)7-9-20-15-22(16-21-13-14-30(5,6)34-28(20)21)27-17-26(32)24-11-12-25(31)23(29(24)33-27)10-8-19(3)4/h7-8,11-16,27,31H,9-10,17H2,1-6H3/t27-/m0/s1
Standard InCHIKey	CVRQUKAFPCFUQW-MHZLTWQESA-N
External Identifiers	ChEMBL [CHEMBL3393209]; PubChem [5321396];
Reference of Component-Ingredient Pair	N/A

Occurrence of the ingredient across TCM components

Component ID	Latin Name	Pinyin Name	Chinese Name
TCMH1814	Sophora subprostrata	Shan Dou Gen	山豆根

Ingredient ID: TCMC4861
Formula: C30H34O4

Common Name	Sophoradochromene
IUPAC Name	(E)-1-[2,4-dihydroxy-3-(3-methylbut-2-enyl)phenyl]-3-[2,2-dimethyl-8-(3-methylbut-2-enyl)chromen-6-yl]prop-2-en-1-one
Canonical SMILES	CC(=CCc1c(O)ccc(c1O)C(=O)/C=C/c1cc(CC=C(C)C)c2c(c1)C=CC(O2)(C)C)C
Standard InCHI	InChI=1S/C30H34O4/c1-19(2)7-10-22-17-21(18-23-15-16-30(5,6)34-29(22)23)9-13-26(31)25-12-14-27(32)24(28(25)33)11-8-20(3)4/h7-9,12-18,32-33H,10-11H2,1-6H3/b13-9+
Standard InCHIKey	AIFRLZKCLIPEMC-UKTHLTGXSA-N
External Identifiers	ChEMBL [N/A]; PubChem [5321394];
Reference of Component-Ingredient Pair	5429163

Occurrence of the ingredient across TCM components

Component ID	Latin Name	Pinyin Name	Chinese Name
TCMH1814	Sophora subprostrata	Shan Dou Gen	山豆根

Ingredient ID: TCMC4860
Formula: C30H36O4

Common Name	Sophoradin
IUPAC Name	(E)-1-[2,4-dihydroxy-3-(3-methylbut-2-enyl)phenyl]-3-[4-hydroxy-3,5-bis(3-methylbut-2-enyl)phenyl]prop-2-en-1-one
Canonical SMILES	CC(=CCc1c(O)ccc(c1O)C(=O)/C=C/c1cc(CC=C(C)C)c(c(c1)CC=C(C)C)O)C
Standard InCHI	InChI=1S/C30H36O4/c1-19(2)7-11-23-17-22(18-24(29(23)33)12-8-20(3)4)10-15-27(31)26-14-16-28(32)25(30(26)34)13-9-21(5)6/h7-10,14-18,32-34H,11-13H2,1-6H3/b15-10+
Standard InCHIKey	YAPAFDNQABLIIN-XNTDXEJSSA-N
External Identifiers	ChEMBL [N/A]; PubChem [5321393];
Reference of Component-Ingredient Pair	3220178

Occurrence of the ingredient across TCM components

Component ID	Latin Name	Pinyin Name	Chinese Name
TCMH1814	Sophora subprostrata	Shan Dou Gen	山豆根

Ingredient ID: TCMC4531
Formula: C31H52O4

Common Name	Docosyl Caffeate
IUPAC Name	docosyl (E)-3-(3,4-dihydroxyphenyl)prop-2-enoate
Canonical SMILES	CCCCCCCCCCCCCCCCCCCCCCOC(=O)/C=C/c1ccc(c(c1)O)O
Standard InCHI	InChI=1S/C31H52O4/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-26-35-31(34)25-23-28-22-24-29(32)30(33)27-28/h22-25,27,32-33H,2-21,26H2,1H3/b25-23+
Standard InCHIKey	GUWHMEMJBCLEBP-WJTDDFOZSA-N
External Identifiers	ChEMBL [CHEMBL1933863]; PubChem [5316952];
Reference of Component-Ingredient Pair	22707250

Occurrence of the ingredient across TCM components

Component ID	Latin Name	Pinyin Name	Chinese Name
TCMH1814	Sophora subprostrata	Shan Dou Gen	山豆根
TCMH2706	Lithospermum erythrorhizon	Zi Cao	紫草

Ingredient ID: TCMC4139
Formula: C48H76O18

Common Name	Dehydrosoyasaponini
IUPAC Name	(2S,3S,4S,5R,6R)-6-[[(3S,4S,4aR,6aR,6bS,8aR,12aS,14aR,14bR)-4-(hydroxymethyl)-4,6a,6b,8a,11,11,14b-heptamethyl-9-oxo-2,3,4a,5,6,7,8,10,12,12a,14,14a-dodecahydro-1H-picen-3-yl]oxy]-5-[(2S,3R,4S,5R,6R)-4,5-dihydroxy-6-(hydroxymethyl)-3-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-2-yl]oxy-3,4-dihydroxyoxane-2-carboxylic acid
Canonical SMILES	OC[C@H]1O[C@@H](O[C@H]2[C@@H](O[C@@H]([C@H]([C@@H]2O)O)C(=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=O)C)C)C)[C@@H]([C@H]([C@H]1O)O)O[C@@H]1O[C@@H](C)[C@@H]([C@H]([C@H]1O)O)O
Standard InCHI	InChI=1S/C48H76O18/c1-21-29(52)31(54)35(58)40(61-21)65-37-32(55)30(53)24(19-49)62-41(37)66-38-34(57)33(56)36(39(59)60)64-42(38)63-28-12-13-45(5)25(46(28,6)20-50)11-14-48(8)26(45)10-9-22-23-17-43(2,3)18-27(51)44(23,4)15-16-47(22,48)7/h9,21,23-26,28-38,40-42,49-50,52-58H,10-20H2,1-8H3,(H,59,60)/p-1/t21-,23-,24+,25+,26+,28-,29-,30-,31+,32-,33-,34-,35+,36-,37+,38+,40-,41-,42+,44+,45-,46+,47+,48+/m0/s1
Standard InCHIKey	CROUPKILZUPLQA-ITVSDQETSA-M
External Identifiers	ChEMBL [N/A]; PubChem [656760];
Reference of Component-Ingredient Pair	7685635

Occurrence of the ingredient across TCM components

Component ID	Latin Name	Pinyin Name	Chinese Name
TCMH1814	Sophora subprostrata	Shan Dou Gen	山豆根

Ingredient ID: TCMC4056
Formula: C15H22N2O2

Common Name	N-Oxysophocarpine
IUPAC Name	13-oxido-7-aza-13-azoniatetracyclo[7.7.1.02,7.013,17]heptadec-4-en-6-one
Canonical SMILES	O=C1C=CCC2N1CC1CCC[N+]3(C1C2CCC3)[O-]
Standard InCHI	InChI=1S/C15H22N2O2/c18-14-7-1-6-13-12-5-3-9-17(19)8-2-4-11(15(12)17)10-16(13)14/h1,7,11-13,15H,2-6,8-10H2
Standard InCHIKey	QMGGMESMCJCABO-UHFFFAOYSA-N
External Identifiers	ChEMBL [N/A]; PubChem [618688];
Reference of Component-Ingredient Pair	18853110

Occurrence of the ingredient across TCM components

Component ID	Latin Name	Pinyin Name	Chinese Name
TCMH1814	Sophora subprostrata	Shan Dou Gen	山豆根

Ingredient ID: TCMC4055
Formula: C15H20N2O

Common Name	Sophoramine
IUPAC Name	7,13-diazatetracyclo[7.7.1.02,7.013,17]heptadeca-2,4-dien-6-one
Canonical SMILES	O=c1cccc2n1CC1CCC[NH+]3C1C2CCC3
Standard InCHI	InChI=1S/C15H20N2O/c18-14-7-1-6-13-12-5-3-9-16-8-2-4-11(15(12)16)10-17(13)14/h1,6-7,11-12,15H,2-5,8-10H2/p+1
Standard InCHIKey	MMCQRJPAMIHLQX-UHFFFAOYSA-O
External Identifiers	ChEMBL [N/A]; PubChem [618327];
Reference of Component-Ingredient Pair	14075298

Occurrence of the ingredient across TCM components

Component ID	Latin Name	Pinyin Name	Chinese Name
TCMH1814	Sophora subprostrata	Shan Dou Gen	山豆根

Ingredient ID: TCMC3966
Formula: C29H50O

Common Name	Sitosterol,Β-Sitosterol
IUPAC Name	(3S,8S,9S,10R,13R,14S,17R)-17-[(2R,5S)-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-ol
Canonical SMILES	CC[C@H](C(C)C)CC[C@H]([C@H]1CC[C@@H]2[C@]1(C)CC[C@H]1[C@H]2CC=C2[C@]1(C)CC[C@@H](C2)O)C
Standard InCHI	InChI=1S/C29H50O/c1-7-21(19(2)3)9-8-20(4)25-12-13-26-24-11-10-22-18-23(30)14-16-28(22,5)27(24)15-17-29(25,26)6/h10,19-21,23-27,30H,7-9,11-18H2,1-6H3/t20-,21+,23+,24+,25-,26+,27+,28+,29-/m1/s1
Standard InCHIKey	KZJWDPNRJALLNS-FBZNIEFRSA-N
External Identifiers	ChEMBL [CHEMBL221542]; PubChem [457801];
Reference of Component-Ingredient Pair	23115546

Occurrence of the ingredient across TCM components

Component ID	Latin Name	Pinyin Name	Chinese Name
TCMH29	Croton tiglium	Ba Dou Shuang	巴豆霜
TCMH389	Gleditsiae sinensis fructus	Da Zao Jiao	大皂角
TCMH224	Thuja orientalis	Ce Bai Ye	侧柏叶
TCMH381	Isatis indigotica	Da Qing Ye	大青叶
TCMH60	Ginkgo biloba	Bai Guo	白果
TCMH287	Clematidis armandii caulis	Chuan Mu Tong	川木通
TCMH407	Salvia miltiorrhiza	Dan Shen	丹参
TCMH12	Artemisia argyi	Ai Ye	艾叶
TCMH28	Croton tiglium	Ba Dou	巴豆
TCMH305	Cnidium officinale	Chuan Xiong	川芎
TCMH240	Plantago depressa	Che Qian Cao	车前草
TCMH294	Rhizoma dioscoreae nipponicae	Chuan Shan Long	穿山龙
TCMH121	Biota orientalis	Bai Zi Ren	柏子仁
TCMH241	Plantago asiatica	Che Qian Zi	车前子
TCMH524	Eucommia ulmoides	Du Zhong	杜仲
TCMH127	Isatis indigotica	Ban Lan Gen	板蓝根
TCMH562	Saposhnikovia divaricata	Fang Feng	防风
TCMH327	Eleutherococcus senticosus	Ci Wu Jia	刺五加
TCMH104	Paeonia lactiflora	Bai Shao	白芍
TCMH130	Pinellia ternata	Ban Xia	半夏
TCMH370	Herba cirsii japonici	Da Ji(1)	大蓟
TCMH258	Paeonia obovata	Chi Shao	赤芍
TCMH430	Canavalia gladiata	Dao Dou	刀豆
TCMH31	Morinda officinalis	Ba Ji Tian	巴戟天
TCMH385	Sargentodoxa cuneata	Da Xue Teng	大血藤
TCMH273	Fritillaria cirrhosa	Chuan Bei Mu	川贝母
TCMH677	Pueraria lobata	Ge Gen	葛根
TCMH388	Ziziphus jujuba	Da Zao	大枣
TCMH949	Phellodendron amurense	Huang Bai	黄柏
TCMH1186	Lycium chinense	Gou Qi Zi	枸杞子
TCMH628	Glycyrrhiza uralensis	Gan Cao	甘草
TCMH700	Drynaria fortunei	Gu Sui Bu	骨碎补
TCMH776	Piper kadsura	Hai Feng Teng	海风藤
TCMH819	Polygonum multiflorum	He Shou Wu	何首乌
TCMH1127	Lonicera japonica	Jin Yin Hua	金银花
TCMH761	Cinnamomum cassia	Gui Zhi	桂枝
TCMH1376	Trachelospermum jasminoides	Luo Shi Teng	络石藤
TCMH865	Carthamus tinctorius	Hong Hua	红花
TCMH981	Astragalus membranaceus	Huang Qi	黄芪
TCMH1368	Apocyni veneti folium	Luo Bu Ma Ye	罗布麻叶
TCMH834	Semen glycine max	Hei Dou	黑豆
TCMH986	Scutellaria baicalensis	Huang Qin	黄芩
TCMH877	Radix ginseng rubra	Hong Shen	红参
TCMH1432	Vitex trifolia	Man Jing Zi	蔓荆子
TCMH1359	Pyrola calliantha	Lu Xian Cao	鹿衔草
TCMH1533	Saussurea lappa	Mu Xiang	木香
TCMH1698	Semen celosiae	Qing Xiang Zi	青葙子
TCMH1906	Cimicifuga foetida	Sheng Ma	升麻
TCMH1740	Cistanche deserticola	Rou Cong Rong	肉苁蓉
TCMH1814	Sophora subprostrata	Shan Dou Gen	山豆根
TCMH1617	Eriobotrya japonica thunb	Pi Pa Ye	枇杷叶
TCMH1953	Pyrrosia lingua	Shi Wei	石韦
TCMH1634	Typha angustata	Pu Huang	蒲黄
TCMH1665	Notopterygium incisum	Qiang Huo	羌活
TCMH1845	Dioscorea batatas	Shan Yao	山药
TCMH1768	Panax notoginseng	San Qi	三七
TCMH1680	Sinomenium acutum	Qing Feng Teng	青风藤
TCMH1531	Akebia quinata	Mu Tong	木通
TCMH1721	Panax ginseng	Ren Shen	人参
TCMH1797	Morus alba	Sang Ye	桑叶
TCMH1866	Cnidium monnieri	She Chuang Zi	蛇床子
TCMH2090	Gastrodia elata	Tian Ma	天麻
TCMH2094	Arisaema consanguineum	Tian Nan Xing	天南星
TCMH2641	Gardenia jasminoides	Zhi Zi	栀子
TCMH2545	Houttuynia cordata	Yu Xing Cao	鱼腥草
TCMH2252	Agrimonia pilosa var. japonica	Xian He Cao	仙鹤草
TCMH2722	Perilla frutescens var. arguta	Zi Su Ye	紫苏叶
TCMH2343	Scrophularia ningpoensis	Xuan Shen	玄参
TCMH2684	Ardisia crenata	Zhu Sha Gen	朱砂根
TCMH2295	fructus foeniculi	Xiao Hui Xiang	小茴香
TCMH2297	Cirsium setosum	Xiao Ji	小蓟

Ingredient ID: TCMC3949
Formula: C47H76O17

Common Name	Soyasaponinii
IUPAC Name	(2S,3S,4S,5R,6R)-6-[[(3S,4S,4aR,6aR,6bS,8aR,9R,12aS,14aR,14bR)-9-hydroxy-4-(hydroxymethyl)-4,6a,6b,8a,11,11,14b-heptamethyl-1,2,3,4a,5,6,7,8,9,10,12,12a,14,14a-tetradecahydropicen-3-yl]oxy]-5-[(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-3,4-dihydroxyoxane-2-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(C[C@H]1O)(C)C)C)C)C)O[C@@H]1O[C@H](C(=O)[O-])[C@H]([C@@H]([C@H]1O[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)O)O
Standard InCHI	InChI=1S/C47H76O17/c1-21-29(51)31(53)34(56)39(60-21)63-36-30(52)24(49)19-59-40(36)64-37-33(55)32(54)35(38(57)58)62-41(37)61-28-12-13-44(5)25(45(28,6)20-48)11-14-47(8)26(44)10-9-22-23-17-42(2,3)18-27(50)43(23,4)15-16-46(22,47)7/h9,21,23-37,39-41,48-56H,10-20H2,1-8H3,(H,57,58)/p-1/t21-,23-,24-,25+,26+,27+,28-,29-,30-,31+,32-,33-,34+,35-,36+,37+,39-,40-,41+,43+,44-,45+,46+,47+/m0/s1
Standard InCHIKey	IBZLICPLPYSFNZ-IVWMTKFPSA-M
External Identifiers	ChEMBL [N/A]; PubChem [443614];
Reference of Component-Ingredient Pair	17455466

Occurrence of the ingredient across TCM components

Component ID	Latin Name	Pinyin Name	Chinese Name
TCMH1814	Sophora subprostrata	Shan Dou Gen	山豆根

Ingredient ID: TCMC3923
Formula: C22H22O10

Common Name	Α-Maackiain-Β-D-Glucoside
IUPAC Name	(2R,3S,4S,5R,6S)-2-(hydroxymethyl)-6-[[(1R,12R)-5,7,11,19-tetraoxapentacyclo[10.8.0.02,10.04,8.013,18]icosa-2,4(8),9,13(18),14,16-hexaen-16-yl]oxy]oxane-3,4,5-triol
Canonical SMILES	OC[C@H]1O[C@@H](Oc2ccc3c(c2)OC[C@@H]2[C@H]3Oc3c2cc2c(c3)OCO2)[C@@H]([C@H]([C@@H]1O)O)O
Standard InCHI	InChI=1S/C22H22O10/c23-6-17-18(24)19(25)20(26)22(32-17)30-9-1-2-10-13(3-9)27-7-12-11-4-15-16(29-8-28-15)5-14(11)31-21(10)12/h1-5,12,17-26H,6-8H2/t12-,17+,18+,19-,20+,21-,22+/m0/s1
Standard InCHIKey	VGSYCWGXBYZLLE-QEEQPWONSA-N
External Identifiers	ChEMBL [CHEMBL454878]; PubChem [442827];
Reference of Component-Ingredient Pair	21380804

Occurrence of the ingredient across TCM components

Component ID	Latin Name	Pinyin Name	Chinese Name
TCMH1814	Sophora subprostrata	Shan Dou Gen	山豆根

Ingredient ID: TCMC3843
Formula: C30H36O4

Common Name	Sophoranone
IUPAC Name	(2S)-7-hydroxy-2-[4-hydroxy-3,5-bis(3-methylbut-2-enyl)phenyl]-8-(3-methylbut-2-enyl)-2,3-dihydrochromen-4-one
Canonical SMILES	CC(=CCc1cc(cc(c1O)CC=C(C)C)[C@@H]1CC(=O)c2c(O1)c(CC=C(C)C)c(cc2)O)C
Standard InCHI	InChI=1S/C30H36O4/c1-18(2)7-10-21-15-23(16-22(29(21)33)11-8-19(3)4)28-17-27(32)25-13-14-26(31)24(30(25)34-28)12-9-20(5)6/h7-9,13-16,28,31,33H,10-12,17H2,1-6H3/t28-/m0/s1
Standard InCHIKey	IORSRBKNYXPSDO-NDEPHWFRSA-N
External Identifiers	ChEMBL [CHEMBL3314594]; PubChem [441767];
Reference of Component-Ingredient Pair	15235223

Occurrence of the ingredient across TCM components

Component ID	Latin Name	Pinyin Name	Chinese Name
TCMH1814	Sophora subprostrata	Shan Dou Gen	山豆根

Ingredient ID: TCMC3707
Formula: C30H46O5

Common Name	Melilotigenin
IUPAC Name	(4aR,6aR,6aS,6bR,9S,10S,12aR,14bR)-10-hydroxy-9-(hydroxymethyl)-2,4a,6a,6b,9,12a-hexamethyl-4-oxo-3,5,6,6a,7,8,8a,10,11,12,13,14b-dodecahydro-1H-picene-2-carboxylic acid
Canonical SMILES	OC[C@@]1(C)[C@@H](O)CC[C@]2(C1CC[C@@]1([C@@H]2CC=C2[C@@]1(C)CC[C@@]1([C@@H]2CC(CC1=O)(C)C(=O)[O-])C)C)C
Standard InCHI	InChI=1S/C30H46O5/c1-25(24(34)35)15-19-18-7-8-21-27(3)11-10-22(32)28(4,17-31)20(27)9-12-30(21,6)29(18,5)14-13-26(19,2)23(33)16-25/h7,19-22,31-32H,8-17H2,1-6H3,(H,34,35)/p-1/t19-,20?,21-,22+,25?,26-,27+,28-,29-,30-/m1/s1
Standard InCHIKey	MVTZJCYINFKILV-ODOQEXKZSA-M
External Identifiers	ChEMBL [N/A]; PubChem [189227];
Reference of Component-Ingredient Pair	N/A

Occurrence of the ingredient across TCM components

Component ID	Latin Name	Pinyin Name	Chinese Name
TCMH1814	Sophora subprostrata	Shan Dou Gen	山豆根

Ingredient ID: TCMC3599
Formula: C15H22N2O2

Common Name	Oxysophocarpine
IUPAC Name	(1R,2R,9S,17S)-13-oxido-7-aza-13-azoniatetracyclo[7.7.1.02,7.013,17]heptadec-4-en-6-one
Canonical SMILES	O=C1C=CC[C@H]2N1C[C@@H]1CCC[N+]3([C@@H]1[C@@H]2CCC3)[O-]
Standard InCHI	InChI=1S/C15H22N2O2/c18-14-7-1-6-13-12-5-3-9-17(19)8-2-4-11(15(12)17)10-16(13)14/h1,7,11-13,15H,2-6,8-10H2/t11-,12+,13+,15-,17?/m0/s1
Standard InCHIKey	QMGGMESMCJCABO-LHDUFFHYSA-N
External Identifiers	ChEMBL [CHEMBL380410]; PubChem [161544];
Reference of Component-Ingredient Pair	26132528

Occurrence of the ingredient across TCM components

Component ID	Latin Name	Pinyin Name	Chinese Name
TCMH1814	Sophora subprostrata	Shan Dou Gen	山豆根

Ingredient ID: TCMC3413
Formula: C15H22N2O

Common Name	Sophocarpine
IUPAC Name	(1R,2R,9S,17S)-7,13-diazatetracyclo[7.7.1.02,7.013,17]heptadec-4-en-6-one
Canonical SMILES	O=C1C=CC[C@H]2N1C[C@@H]1CCC[NH+]3[C@@H]1[C@@H]2CCC3
Standard InCHI	InChI=1S/C15H22N2O/c18-14-7-1-6-13-12-5-3-9-16-8-2-4-11(15(12)16)10-17(13)14/h1,7,11-13,15H,2-6,8-10H2/p+1/t11-,12+,13+,15-/m0/s1
Standard InCHIKey	AAGFPTSOPGCENQ-JLNYLFASSA-O
External Identifiers	ChEMBL [CHEMBL377725]; PubChem [115269];
Reference of Component-Ingredient Pair	26677715

Occurrence of the ingredient across TCM components

Component ID	Latin Name	Pinyin Name	Chinese Name
TCMH1215	Sophora flavescens	Ku Shen	苦参
TCMH1814	Sophora subprostrata	Shan Dou Gen	山豆根

Ingredient ID: TCMC3408
Formula: C30H50O3

Common Name	Soyasapogenol B
IUPAC Name	(3S,4S,4aR,6aR,6bS,8aR,9R,12aS,14aR,14bR)-4-(hydroxymethyl)-4,6a,6b,8a,11,11,14b-heptamethyl-1,2,3,4a,5,6,7,8,9,10,12,12a,14,14a-tetradecahydropicene-3,9-diol
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(C[C@H]1O)(C)C)C)C)C
Standard InCHI	InChI=1S/C30H50O3/c1-25(2)16-20-19-8-9-22-27(4)12-11-23(32)28(5,18-31)21(27)10-13-30(22,7)29(19,6)15-14-26(20,3)24(33)17-25/h8,20-24,31-33H,9-18H2,1-7H3/t20-,21+,22+,23-,24+,26+,27-,28+,29+,30+/m0/s1
Standard InCHIKey	YOQAQNKGFOLRGT-UXXABWCISA-N
External Identifiers	ChEMBL [CHEMBL1762007]; PubChem [115012];
Reference of Component-Ingredient Pair	28771341

Occurrence of the ingredient across TCM components

Component ID	Latin Name	Pinyin Name	Chinese Name
TCMH834	Semen glycine max	Hei Dou	黑豆
TCMH1814	Sophora subprostrata	Shan Dou Gen	山豆根

Ingredient ID: TCMC3311
Formula: C15H24N2O

Common Name	Matrine
IUPAC Name	(1R,2R,9S,17S)-7,13-diazatetracyclo[7.7.1.02,7.013,17]heptadecan-6-one
Canonical SMILES	O=C1CCC[C@H]2N1C[C@@H]1CCC[NH+]3[C@@H]1[C@@H]2CCC3
Standard InCHI	InChI=1S/C15H24N2O/c18-14-7-1-6-13-12-5-3-9-16-8-2-4-11(15(12)16)10-17(13)14/h11-13,15H,1-10H2/p+1/t11-,12+,13+,15-/m0/s1
Standard InCHIKey	ZSBXGIUJOOQZMP-JLNYLFASSA-O
External Identifiers	ChEMBL [CHEMBL204860]; PubChem [91466];
Reference of Component-Ingredient Pair	22613581

Occurrence of the ingredient across TCM components

Component ID	Latin Name	Pinyin Name	Chinese Name
TCMH1215	Sophora flavescens	Ku Shen	苦参
TCMH1814	Sophora subprostrata	Shan Dou Gen	山豆根

Ingredient ID: TCMC1963
Formula: C17H14O5

Common Name	Pterocarpin
IUPAC Name	n.a.
Canonical SMILES	COc1ccc2c(c1)OC[C@@H]1[C@H]2Oc2c1cc1c(c2)OCO1
Standard InCHI	InChI=1S/C17H14O5/c1-18-9-2-3-10-13(4-9)19-7-12-11-5-15-16(21-8-20-15)6-14(11)22-17(10)12/h2-6,12,17H,7-8H2,1H3/t12-,17-/m0/s1
Standard InCHIKey	YLZYAUCOYZKLMA-SJCJKPOMSA-N
External Identifiers	ChEMBL [CHEMBL242128]; PubChem [1715306];
Reference of Component-Ingredient Pair	24130029

Occurrence of the ingredient across TCM components

Component ID	Latin Name	Pinyin Name	Chinese Name
TCMH266	Clerodendrum bungei	Chu Mu Dan	臭牡丹
TCMH2143	Sophora flavescens	Tu Ku Shen	土苦参
TCMH1814	Sophora subprostrata	Shan Dou Gen	山豆根
TCMH423	Embelia parviflora	Dang Gui Teng	当归藤
TCMH2726	Pterocarpus indicus	Zi Tan	紫檀
TCMH1486	Ephedra sinica	Mi Ma Huang	蜜麻黄
TCMH1398	Ephedra sinica	Ma Huang	麻黄
TCMH1399	Ephedra sinica	Ma Huang Gao	麻黄膏
TCMH1400	Ephedra sinica	Ma Huang Gen	麻黄根
TCMH1401	Ephedra sinica	Ma Huang Jin Gao	麻黄浸膏
TCMH1215	Sophora flavescens	Ku Shen	苦参
TCMH2080	Sophora flavescens	Teng Ku Shen	藤苦参

Ingredient ID: TCMC1629
Formula: C16H12O5

Common Name	n.a.
IUPAC Name	n.a.
Canonical SMILES	Oc1ccc2c(c1)OCC1C2Oc2c1cc1c(c2)OCO1
Standard InCHI	InChI=1S/C16H12O5/c17-8-1-2-9-12(3-8)18-6-11-10-4-14-15(20-7-19-14)5-13(10)21-16(9)11/h1-5,11,16-17H,6-7H2
Standard InCHIKey	HUKSJTUUSUGIDC-UHFFFAOYSA-N
External Identifiers	ChEMBL [CHEMBL239047]; PubChem [363863];
Reference of Component-Ingredient Pair	N/A

Occurrence of the ingredient across TCM components

Component ID	Latin Name	Pinyin Name	Chinese Name
TCMH945	Sophora japonica	Huai Zhi	槐枝
TCMH1214	Picrasma quassioides	Ku Mu	苦木
TCMH2143	Sophora flavescens	Tu Ku Shen	土苦参
TCMH1814	Sophora subprostrata	Shan Dou Gen	山豆根
TCMH1215	Sophora flavescens	Ku Shen	苦参
TCMH2080	Sophora flavescens	Teng Ku Shen	藤苦参
TCMH938	Sophora japonica	Huai Hua	槐花
TCMH940	Sophora japonica	Huai Jiao	槐角
TCMH941	Sophora japonica	Huai Mi	槐米

Properties

Ingredient ID	Formulae	Name	MW	AlogP	MlogP	XlogP	# HBA	# HBD	PSA	# Rotatable Bond	# Ring	# Heacy Atom	Lipinski RO5 Violation
TCMC983	C15H10O4	Daidzein	254.06	-1.5873	2.67	2.475	1	2	66.76	3	3	19	0
TCMC1629	C16H12O5		284.07	-1.4161	2.67	1.797	0	1	57.15	1	5	21	0
TCMC1963	C17H14O5	Pterocarpin	298.08	-1.0076	2.78	2.316	0	0	46.15	2	5	22	0
TCMC3311	C15H24N2O	Matrine	249.1966884	-3.3629	2.78	1.222	2	1	24.75	0	4	18	0
TCMC3408	C30H50O3	Soyasapogenol B	458.3759955	1.3478	4.43	8.336	3	3	60.69	1	5	33	1
TCMC3413	C15H22N2O	Sophocarpine	247.1810384	-2.205	2.78	1.111	2	1	24.75	0	4	18	0
TCMC3599	C15H22N2O2	Oxysophocarpine	262.1681279	-1.153	2.67	0.589	2	0	43.37	0	4	19	0
TCMC3707	C30H46O5	Melilotigenin	485.3266995	0.0075	4.21	5.176	5	2	97.66	2	5	35	1
TCMC3843	C30H36O4	Sophoranone	460.2613596	4.2781	4.32	6.27	1	2	66.76	7	3	34	1
TCMC3923	C22H22O10	Α-Maackiain-Β-D-Glucoside	446.1212969	-3.163	2.78	0.689	5	4	136.3	3	6	32	0
TCMC3949	C47H76O17	Soyasaponinii	911.5004259	-3.4578	4.76	3.918	17	9	277.58	8	8	64	2
TCMC3966	C29H50O	Sitosterol,Β-Sitosterol	414.3861662	1.3	4.54	11.595	1	1	20.23	6	4	30	1
TCMC4055	C15H20N2O	Sophoramine	245.1653883	-2.5132	2.78	0.508	2	1	21.51	0	4	18	0
TCMC4056	C15H22N2O2	N-Oxysophocarpine	262.1681279	-1.153	2.67	0.589	2	0	43.37	0	4	19	0
TCMC4139	C48H76O18	Dehydrosoyasaponini	939.4953406	-3.7492	4.76	3.068	18	9	294.65	9	8	66	2
TCMC4531	C31H52O4	Docosyl Caffeate	488.3865601	-6.3477	4.43	13.054	2	2	66.76	24	1	35	2
TCMC4860	C30H36O4	Sophoradin	460.2613596	4.3486	4.32	7.174	1	3	77.76	9	2	34	1
TCMC4861	C30H34O4	Sophoradochromene	458.2457096	3.8393	4.32	7.104	1	2	66.76	7	3	34	1
TCMC4862	C30H34O4	Sophoranochromene	458.2457096	3.7688	4.32	6.2	1	1	55.76	5	4	34	1
TCMC4931	C15H20N2O	Anagyrine	245.1653883	-3.25	2.78	0.508	2	1	21.51	0	4	18	0
TCMC5241	C30H50O2	Sophoradiol	442.3810808	2.4385	4.54	9.039	2	2	40.46	0	5	32	1
TCMC5959	C30H50O4	Soyasapogenol A	474.3709101	0.7747	4.32	7.102	4	4	80.92	1	5	34	1
TCMC5962	C15H24N2O2	Sophoranol	265.191603	-3.802	2.67	0.312	3	2	44.98	0	4	19	0
TCMC6144	C30H50O4	Abrisapogenol E	474.3709101	0.2571	4.32	6.571	4	4	80.92	2	5	34	1
TCMC6146	C30H50O3	Abrisapogenol D	458.3759955	1.3478	4.43	7.274	3	3	60.69	1	5	33	1
TCMC6178	C30H50O4	Abrisapogenol C	474.3709101	0.7747	4.32	7.102	4	4	80.92	1	5	34	1
TCMC6433	C30H48O4	Wistariasapogenol A	472.35526	0.4764	4.32	5.964	4	3	77.76	2	5	34	1
TCMC7129	C48H74O20	Abrisaponin I	968.4616947	-5.3088	4.54	0.515	20	9	334.78	10	8	68	2
TCMC7249	C48H78O19	Soyasaponin A3	957.5059052	-4.5416	4.65	2.441	19	11	318.04	9	8	67	2
TCMC7337	C15H24N2O2	Oxymatrine	264.183778	-2.3109	2.67	0.7	2	0	43.37	0	4	19	0

Download Data

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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: Sophora subprostrata 山豆根

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: TCMC983

Occurrence of the ingredient across TCM components

Ingredient ID: TCMC7337

Occurrence of the ingredient across TCM components

Ingredient ID: TCMC7249

Occurrence of the ingredient across TCM components

Ingredient ID: TCMC7129

Occurrence of the ingredient across TCM components

Ingredient ID: TCMC6433

Occurrence of the ingredient across TCM components

Ingredient ID: TCMC6178

Occurrence of the ingredient across TCM components

Ingredient ID: TCMC6146

Occurrence of the ingredient across TCM components

Ingredient ID: TCMC6144

Occurrence of the ingredient across TCM components

Ingredient ID: TCMC5962

Occurrence of the ingredient across TCM components

Ingredient ID: TCMC5959

Occurrence of the ingredient across TCM components

Ingredient ID: TCMC5241

Occurrence of the ingredient across TCM components

Ingredient ID: TCMC4931

Occurrence of the ingredient across TCM components

Ingredient ID: TCMC4862

Occurrence of the ingredient across TCM components

Ingredient ID: TCMC4861

Occurrence of the ingredient across TCM components

Ingredient ID: TCMC4860

Occurrence of the ingredient across TCM components

Ingredient ID: TCMC4531

Occurrence of the ingredient across TCM components

Ingredient ID: TCMC4139

Occurrence of the ingredient across TCM components

Ingredient ID: TCMC4056

Occurrence of the ingredient across TCM components

Ingredient ID: TCMC4055

Occurrence of the ingredient across TCM components

Ingredient ID: TCMC3966

Occurrence of the ingredient across TCM components

Ingredient ID: TCMC3949

Occurrence of the ingredient across TCM components

Ingredient ID: TCMC3923

Occurrence of the ingredient across TCM components

Ingredient ID: TCMC3843

Occurrence of the ingredient across TCM components

Ingredient ID: TCMC3707

Occurrence of the ingredient across TCM components

Ingredient ID: TCMC3599

Occurrence of the ingredient across TCM components

Ingredient ID: TCMC3413

Occurrence of the ingredient across TCM components

Ingredient ID: TCMC3408

Occurrence of the ingredient across TCM components

Ingredient ID: TCMC3311

Occurrence of the ingredient across TCM components

Ingredient ID: TCMC1963

Occurrence of the ingredient across TCM components

Ingredient ID: TCMC1629