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	å±±è±†æ ¹
TCM Properties	Cold,Bitter
TCM Meridians	Lung,Stomach
Therapeutic Class English	Heat clearence
Therapeutic Class Chinese	æ¸…çƒ
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	é¼»å’½çµç‰‡
TCMFx1169	BiÂ YanÂ Ling Tablet	é¼»å’½çµç‰‡
TCMFx3765	Bing Mei Shang Qing Pills	å†°æ¢…ä¸Šæ¸…ä¸¸
TCMF2073	Danger Relieving Decoction
TCMFx7188	Fu Fang Liang Mian Zhen Han Tablets	å¤æ–¹ä¸¤é¢é’ˆå«ç‰‡
TCMFx3798	Fu Fang Mu Ji Granules	å¤æ–¹æœ¨é¸¡é¢—ç²’
TCMF785	Fu Fang Yi Gan Pills	å¤æ–¹ç›Šè‚ä¸¸
TCMFx3674	Gan Yan Ling Zhu She Oral Liquid	è‚ç‚Žçµæ³¨å°„æ¶²
TCMFx858	Gui Lin Xi Gua Shuang	æ¡‚æž—è¥¿ç“œéœœ
TCMFx4109	Gui Lin Xi Gua Shuang	æ¡‚æž—è¥¿ç“œéœœ
TCMFx4116	Gui Lin Xi Gua Shuang Capsules	æ¡‚æž—è¥¿ç“œéœœèƒ¶å›Š
TCMFx7058	Gui Lin Xi Gua Shuang Han Tablets	æ¡‚æž—è¥¿ç“œéœœå«ç‰‡
TCMFx1042	Hou Ji Ling Capsule	å–‰ç–¾çµèƒ¶å›Š
TCMFx4505	Hou Ji Ling Capsules	å–‰ç–¾çµèƒ¶å›Š
TCMFx4515	Hou Ji Ling Tablets	å–‰ç–¾çµç‰‡
TCMFx4542	Hou Tong Jie Du Pills	å–‰ç—›è§£æ¯’ä¸¸
TCMF4566	Hou Tong Tablets	å–‰ç—›ç‰‡
TCMF4040	Kang Bian Tao Xian Yan Recipe	æŠ—æ‰æ¡ƒè…ºç‚Žåˆå‰‚
TCMF4049	Kang Bing Du Granules	æŠ—ç—…æ¯’é¢—ç²’
TCMFx22	Kou Yan Qing Pills	å£å’½æ¸…ä¸¸
TCMFx4957	Lv Pao Powder	ç»¿è¢æ•£
TCMF1089	Qing Ge Pills	æ¸…è†ˆä¸¸
TCMF5231	Qing Ge Pills	æ¸…è†ˆä¸¸
TCMF7424	Qing Liang Powder	æ¸…å‡‰æ•£
TCMF5675	Qing Re Yang Yin Pills	æ¸…çƒå…»é˜´ä¸¸
TCMF4958	Qing Yan Run Hou Pills	æ¸…å’½æ¶¦å–‰ä¸¸
TCMF68	Qing Yan Run Hou Pills	æ¸…å’½æ¶¦å–‰ä¸¸
TCMF4967	Qing Yan Yi Huo Pills	æ¸…å’½æŠ‘ç«ä¸¸
TCMFx5006	Qing Yu Bi Wen Dan	åº†ä½™è¾Ÿç˜Ÿä¸¹
TCMFx490	Qing YuÂ PiÂ Wen Dan	åº†ä½™è¾Ÿç˜Ÿä¸¹
TCMF5042	Qiu Zao Gan Mao Granules	ç§‹ç‡¥æ„Ÿå†’é¢—ç²’
TCMF5721	Ruan Jian Yao Decoction	è½¯åšè¯æ°´
TCMFx5713	Ruan Shi Shang Qing Pills	é˜®æ°ä¸Šæ¸…ä¸¸
TCMFx7011	Shang Granulesng Spray	ä¼¤ç§‘çµå–·é›¾å‰‚
TCMFx5041	She Shang Jie Du Tablets	è›‡ä¼¤è§£æ¯’ç‰‡
TCMFx7211	Shu Yan Qing Spray	èˆ’å’½æ¸…å–·é›¾å‰‚
TCMF7132	Shuang Liao Hou Feng Han Tablets	åŒæ–™å–‰é£Žå«ç‰‡
TCMF5693	Shuang Liao Hou Feng Powder	åŒæ–™å–‰é£Žæ•£
TCMF5156	Tou Biao Hui Chun Pills	é€è¡¨å›žæ˜¥ä¸¸
TCMFx6690	Yun Xiang Jing	äº‘é¦™ç²¾

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	ä¹é‡Œé¦™
TCMH679	Pueraria lobata	Ge Hua	è‘›èŠ±
TCMH1538	Baphicacanthus cusia	Nan Ban Lan Gen Jin Gao Fen	å—æ¿è“æ ¹æµ¸è†ç²‰
TCMH985	Astragalus membranaceus	Huang Qi Ti Qu Ye	é»„èŠªæå–æ¶²
TCMH1814	Sophora subprostrata	Shan Dou Gen	å±±è±†æ ¹
TCMH1212	Melia azedarach	Ku Lian Zi	è‹¦æ¥å
TCMH1067	Glycine max	Jiang Tan	å§œç‚
TCMH1038	Spatholobus suberectus	Ji Xue Teng Gao	é¸¡è¡€è—¤è†
TCMH538	Oxytropis falcata	E Da Xia	èŽªå¤§å¤
TCMH494	Cordyceps sinensis	Dong Chong Xia Cao	å†¬è™«å¤è‰
TCMH79	Sinapis alba	Bai Jie Zi	ç™½èŠ¥å
TCMH1734	Homo sapiens	Ren Zhong Bai	äººä¸ç™½
TCMH310	Melia azedarach	Chuan Lian	å·æ¥
TCMH1211	Melia azedarach	Ku Lian Pi	è‹¦æ¥çš®
TCMH981	Astragalus membranaceus	Huang Qi	é»„èŠª
TCMH983	Astragalus membranaceus	Huang Qi Gan Jin Gao	é»„èŠªå¹²æµ¸è†
TCMH984	Astragalus membranaceus	Huang Qi Jin Gao	é»„èŠªæµ¸è†
TCMH469	Spatholobus suberectus	Dian Ji Xue Teng Gao Fen	æ»‡é¸¡è¡€è—¤è†ç²‰
TCMH1036	Spatholobus suberectus	Ji Xue Teng	é¸¡è¡€è—¤
TCMH1037	Spatholobus suberectus	Ji Xue Teng Gan Gao	é¸¡è¡€è—¤å¹²è†
TCMH644	Pueraria lobata	Gan Ge	å¹²è‘›
TCMH677	Pueraria lobata	Ge Gen	è‘›æ ¹
TCMH678	Pueraria lobata	Ge Gen Gan Jin Gao	è‘›æ ¹å¹²æµ¸è†
TCMH1537	Baphicacanthus cusia	Nan Ban Lan Gen	å—æ¿è“æ ¹
TCMH628	Glycyrrhiza uralensis	Gan Cao	ç”˜è‰
TCMH629	Glycyrrhiza uralensis	Gan Cao Fen	ç”˜è‰ç²‰
TCMH630	Glycyrrhiza uralensis	Gan Cao Gan Gao	ç”˜è‰å¹²è†
TCMH631	Glycyrrhiza uralensis	Gan Cao Gan Gao Fen	ç”˜è‰å¹²è†ç²‰
TCMH632	Glycyrrhiza uralensis	Gan Cao Gan Jin Gao	ç”˜è‰å¹²æµ¸è†
TCMH633	Glycyrrhiza uralensis	Gan Cao Gao	ç”˜è‰è†
TCMH634	Glycyrrhiza uralensis	Gan Cao Jie	ç”˜è‰èŠ‚
TCMH635	Glycyrrhiza uralensis	Gan Cao Jin Gao	ç”˜è‰æµ¸è†
TCMH636	Glycyrrhiza uralensis	Gan Cao Liu Jin Gao	ç”˜è‰æµæµ¸è†
TCMH1475	Glycyrrhiza uralensis	Mi Gan Cao	èœœç”˜è‰
TCMH1899	Glycyrrhiza uralensis	Sheng Gan Cao	ç”Ÿç”˜è‰
TCMH397	Glycine max	Dan Dou Gu	æ·¡è±†é¼“
TCMH416	Glycine max	Dan Xiang Chi	æ·¡é¦™è±‰
TCMH515	Glycine max	Dou You	è±†æ²¹
TCMH833	Glycine max	Hei Da Dou	é»‘å¤§è±†
TCMH1059	Glycine max	Jiang	å§œ
TCMH1062	Glycine max	Jiang Gao	å§œè†
TCMH2375	Trigonella foenum-graecum	Yan Hu Lu Ba	ç›èƒ¡èŠ¦å·´
TCMH2710	Homo sapiens	Zi He Che	ç´«æ²³è½¦
TCMH2135	Glycyrrhiza uralensis	Tu Gan Cao	åœŸç”˜è‰

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	è‹¦å‚
TCMH1814	Sophora subprostrata	Shan Dou Gen	å±±è±†æ ¹

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	é»‘è±†
TCMH1814	Sophora subprostrata	Shan Dou Gen	å±±è±†æ ¹

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	é¸¡éª¨è‰
TCMH1814	Sophora subprostrata	Shan Dou Gen	å±±è±†æ ¹

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	å±±è±†æ ¹

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	é¸¡éª¨è‰
TCMH1814	Sophora subprostrata	Shan Dou Gen	å±±è±†æ ¹

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	é¸¡éª¨è‰
TCMH1814	Sophora subprostrata	Shan Dou Gen	å±±è±†æ ¹

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	é¸¡éª¨è‰
TCMH1814	Sophora subprostrata	Shan Dou Gen	å±±è±†æ ¹

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	è‹¦å‚
TCMH1814	Sophora subprostrata	Shan Dou Gen	å±±è±†æ ¹

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	é»‘è±†
TCMH1814	Sophora subprostrata	Shan Dou Gen	å±±è±†æ ¹

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	è‘›æ ¹
TCMH1020	Abrus fruticulosus	Ji Gu Cao	é¸¡éª¨è‰
TCMH938	Sophora japonica	Huai Hua	æ§èŠ±
TCMH1814	Sophora subprostrata	Shan Dou Gen	å±±è±†æ ¹

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	è‹¦å‚
TCMH1814	Sophora subprostrata	Shan Dou Gen	å±±è±†æ ¹

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	å±±è±†æ ¹

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	å±±è±†æ ¹

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	å±±è±†æ ¹

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	å±±è±†æ ¹
TCMH2706	Lithospermum erythrorhizon	Zi Cao	ç´«è‰

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	å±±è±†æ ¹

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	å±±è±†æ ¹

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	å±±è±†æ ¹

Ingredient ID: TCMC3966
Formula: C29H50O

Common Name	Sitosterol,Î’-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	å·´è±†éœœ
TCMH389	Gleditsiae sinensis fructus	Da Zao Jiao	å¤§çš‚è§’
TCMH224	Thuja orientalis	Ce Bai Ye	ä¾§æŸå¶
TCMH381	Isatis indigotica	Da Qing Ye	å¤§é’å¶
TCMH60	Ginkgo biloba	Bai Guo	ç™½æžœ
TCMH287	Clematidis armandii caulis	Chuan Mu Tong	å·æœ¨é€š
TCMH407	Salvia miltiorrhiza	Dan Shen	ä¸¹å‚
TCMH12	Artemisia argyi	Ai Ye	è‰¾å¶
TCMH28	Croton tiglium	Ba Dou	å·´è±†
TCMH305	Cnidium officinale	Chuan Xiong	å·èŠŽ
TCMH240	Plantago depressa	Che Qian Cao	è½¦å‰è‰
TCMH294	Rhizoma dioscoreae nipponicae	Chuan Shan Long	ç©¿å±±é¾™
TCMH121	Biota orientalis	Bai Zi Ren	æŸåä»
TCMH241	Plantago asiatica	Che Qian Zi	è½¦å‰å
TCMH524	Eucommia ulmoides	Du Zhong	æœä»²
TCMH127	Isatis indigotica	Ban Lan Gen	æ¿è“æ ¹
TCMH562	Saposhnikovia divaricata	Fang Feng	é˜²é£Ž
TCMH327	Eleutherococcus senticosus	Ci Wu Jia	åˆºäº”åŠ
TCMH104	Paeonia lactiflora	Bai Shao	ç™½èŠ
TCMH130	Pinellia ternata	Ban Xia	åŠå¤
TCMH370	Herba cirsii japonici	Da Ji(1)	å¤§è“Ÿ
TCMH258	Paeonia obovata	Chi Shao	èµ¤èŠ
TCMH430	Canavalia gladiata	Dao Dou	åˆ€è±†
TCMH31	Morinda officinalis	Ba Ji Tian	å·´æˆŸå¤©
TCMH385	Sargentodoxa cuneata	Da Xue Teng	å¤§è¡€è—¤
TCMH273	Fritillaria cirrhosa	Chuan Bei Mu	å·è´æ¯
TCMH677	Pueraria lobata	Ge Gen	è‘›æ ¹
TCMH388	Ziziphus jujuba	Da Zao	å¤§æž£
TCMH949	Phellodendron amurense	Huang Bai	é»„æŸ
TCMH1186	Lycium chinense	Gou Qi Zi	æž¸æžå
TCMH628	Glycyrrhiza uralensis	Gan Cao	ç”˜è‰
TCMH700	Drynaria fortunei	Gu Sui Bu	éª¨ç¢Žè¡¥
TCMH776	Piper kadsura	Hai Feng Teng	æµ·é£Žè—¤
TCMH819	Polygonum multiflorum	He Shou Wu	ä½•é¦–ä¹Œ
TCMH1127	Lonicera japonica	Jin Yin Hua	é‡‘é“¶èŠ±
TCMH761	Cinnamomum cassia	Gui Zhi	æ¡‚æž
TCMH1376	Trachelospermum jasminoides	Luo Shi Teng	ç»œçŸ³è—¤
TCMH865	Carthamus tinctorius	Hong Hua	çº¢èŠ±
TCMH981	Astragalus membranaceus	Huang Qi	é»„èŠª
TCMH1368	Apocyni veneti folium	Luo Bu Ma Ye	ç½—å¸ƒéº»å¶
TCMH834	Semen glycine max	Hei Dou	é»‘è±†
TCMH986	Scutellaria baicalensis	Huang Qin	é»„èŠ©
TCMH877	Radix ginseng rubra	Hong Shen	çº¢å‚
TCMH1432	Vitex trifolia	Man Jing Zi	è”“è†å
TCMH1359	Pyrola calliantha	Lu Xian Cao	é¹¿è¡”è‰
TCMH1533	Saussurea lappa	Mu Xiang	æœ¨é¦™
TCMH1698	Semen celosiae	Qing Xiang Zi	é’è‘™å
TCMH1906	Cimicifuga foetida	Sheng Ma	å‡éº»
TCMH1740	Cistanche deserticola	Rou Cong Rong	è‚‰è‹è“‰
TCMH1814	Sophora subprostrata	Shan Dou Gen	å±±è±†æ ¹
TCMH1617	Eriobotrya japonica thunb	Pi Pa Ye	æž‡æ·å¶
TCMH1953	Pyrrosia lingua	Shi Wei	çŸ³éŸ¦
TCMH1634	Typha angustata	Pu Huang	è’²é»„
TCMH1665	Notopterygium incisum	Qiang Huo	ç¾Œæ´»
TCMH1845	Dioscorea batatas	Shan Yao	å±±è¯
TCMH1768	Panax notoginseng	San Qi	ä¸‰ä¸ƒ
TCMH1680	Sinomenium acutum	Qing Feng Teng	é’é£Žè—¤
TCMH1531	Akebia quinata	Mu Tong	æœ¨é€š
TCMH1721	Panax ginseng	Ren Shen	äººå‚
TCMH1797	Morus alba	Sang Ye	æ¡‘å¶
TCMH1866	Cnidium monnieri	She Chuang Zi	è›‡åºŠå
TCMH2090	Gastrodia elata	Tian Ma	å¤©éº»
TCMH2094	Arisaema consanguineum	Tian Nan Xing	å¤©å—æ˜Ÿ
TCMH2641	Gardenia jasminoides	Zhi Zi	æ €å
TCMH2545	Houttuynia cordata	Yu Xing Cao	é±¼è…¥è‰
TCMH2252	Agrimonia pilosa var. japonica	Xian He Cao	ä»™é¹¤è‰
TCMH2722	Perilla frutescens var. arguta	Zi Su Ye	ç´«è‹å¶
TCMH2343	Scrophularia ningpoensis	Xuan Shen	çŽ„å‚
TCMH2684	Ardisia crenata	Zhu Sha Gen	æœ±ç ‚æ ¹
TCMH2295	fructus foeniculi	Xiao Hui Xiang	å°èŒ´é¦™
TCMH2297	Cirsium setosum	Xiao Ji	å°è“Ÿ

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	å±±è±†æ ¹

Ingredient ID: TCMC3923
Formula: C22H22O10

Common Name	Î‘-Maackiain-Î’-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	å±±è±†æ ¹

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	å±±è±†æ ¹

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	å±±è±†æ ¹

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	å±±è±†æ ¹

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	è‹¦å‚
TCMH1814	Sophora subprostrata	Shan Dou Gen	å±±è±†æ ¹

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	é»‘è±†
TCMH1814	Sophora subprostrata	Shan Dou Gen	å±±è±†æ ¹

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	è‹¦å‚
TCMH1814	Sophora subprostrata	Shan Dou Gen	å±±è±†æ ¹

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	è‡ç‰¡ä¸¹
TCMH1814	Sophora subprostrata	Shan Dou Gen	å±±è±†æ ¹
TCMH423	Embelia parviflora	Dang Gui Teng	å½“å½’è—¤
TCMH1486	Ephedra sinica	Mi Ma Huang	èœœéº»é»„
TCMH1398	Ephedra sinica	Ma Huang	éº»é»„
TCMH1399	Ephedra sinica	Ma Huang Gao	éº»é»„è†
TCMH1400	Ephedra sinica	Ma Huang Gen	éº»é»„æ ¹
TCMH1401	Ephedra sinica	Ma Huang Jin Gao	éº»é»„æµ¸è†
TCMH1215	Sophora flavescens	Ku Shen	è‹¦å‚
TCMH2143	Sophora flavescens	Tu Ku Shen	åœŸè‹¦å‚
TCMH2726	Pterocarpus indicus	Zi Tan	ç´«æª€
TCMH2080	Sophora flavescens	Teng Ku Shen	è—¤è‹¦å‚

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	æ§æž
TCMH1214	Picrasma quassioides	Ku Mu	è‹¦æœ¨
TCMH1814	Sophora subprostrata	Shan Dou Gen	å±±è±†æ ¹
TCMH1215	Sophora flavescens	Ku Shen	è‹¦å‚
TCMH938	Sophora japonica	Huai Hua	æ§èŠ±
TCMH940	Sophora japonica	Huai Jiao	æ§è§’
TCMH941	Sophora japonica	Huai Mi	æ§ç±³
TCMH2143	Sophora flavescens	Tu Ku Shen	åœŸè‹¦å‚
TCMH2080	Sophora flavescens	Teng Ku Shen	è—¤è‹¦å‚

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	Î‘-Maackiain-Î’-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,Î’-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 å±±è±†æ ¹

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