TCM-ID Component

Description of the Component

Component ID	TCMH1782
Latin Name	Ruta graveolens
English Name	Common rue
Chinese Pinyin Name	San Ya Ku
中文名	三桠苦
TCM Properties
TCM Meridians
Therapeutic Class English
Therapeutic Class Chinese
Functions
Toxicity	NA
Geo-authentic habitats (道地产区)	NA
Reference	CFDA
Barcode ID	ITSAH2419-14
Barcode Source	BOLDSYSTEMS

TCM Prescriptions with the Component

Prescription ID	Prescription English Name	Prescription Chinese Name
TCMF5011	San Jiu Wei Tai Capsules	三九胃泰胶囊

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
TCMT101	PTPN1	Protein-tyrosine phosphatase 1B	Hydrolase	P18031
TCMT11	HIF1A	Hypoxia-inducible factor 1 alpha	Transcription factor	Q16665
TCMT125	GBA	Beta-glucocerebrosidase	Hydrolase	P04062
TCMT131	ACHE	Acetylcholinesterase	Hydrolase	P22303
TCMT132	BCHE	Butyrylcholinesterase	Hydrolase	P06276
TCMT133	CA1	Carbonic anhydrase I	Lyase	P00915
TCMT134	CA2	Carbonic anhydrase II	Lyase	P00918
TCMT135	CA14	Carbonic anhydrase XIV	Lyase	Q9ULX7
TCMT136	CA12	Carbonic anhydrase XII	Lyase	O43570
TCMT137	CA9	Carbonic anhydrase IX	Lyase	Q16790
TCMT138	CA7	Carbonic anhydrase VII	Lyase	P43166
TCMT139	CA6	Carbonic anhydrase VI	Lyase	P23280
TCMT140	CA5B	Carbonic anhydrase VB	Lyase	Q9Y2D0
TCMT141	CA5A	Carbonic anhydrase VA	Lyase	P35218
TCMT142	CA4	Carbonic anhydrase IV	Lyase	P22748
TCMT143	CA3	Carbonic anhydrase III	Lyase	P07451
TCMT150	RORC	Nuclear receptor ROR-gamma	Nuclear receptor	P51449
TCMT162	UGT1A1	UDP-glucuronosyltransferase 1-1	Transferase	P22309
TCMT17	POLB	DNA polymerase beta	Transferase	P06746
TCMT18	GAA	Lysosomal alpha-glucosidase	Hydrolase	P10253
TCMT2	MAPT	Microtubule-associated protein tau	Unclassified	P10636
TCMT206	CYP2A6	Cytochrome P450 2A6	Oxidoreductase	P11509
TCMT207	BACE1	Beta-secretase 1	Protease	P56817
TCMT208	MAOA	Monoamine oxidase A	Oxidoreductase	P21397
TCMT223	AKR1B1	Aldose reductase	Oxidoreductase	P15121
TCMT225	CA13	Carbonic anhydrase XIII	Lyase	Q8N1Q1
TCMT248	CXCL8	Interleukin-8	Unclassified	P10145
TCMT268	CYP2A13	Cytochrome P450 2A13	Oxidoreductase	Q16696
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
TCMT3	ALOX15	Arachidonate 15-lipoxygenase	Oxidoreductase	P16050
TCMT31	CYP2C19	Cytochrome P450 2C19	Oxidoreductase	P33261
TCMT33	CYP3A4	Cytochrome P450 3A4	Oxidoreductase	P08684
TCMT337	XPO1	Exportin-1	Unclassified	O14980
TCMT34	CYP2D6	Cytochrome P450 2D6	Oxidoreductase	P10635
TCMT45	APP	Beta amyloid A4 protein	Unclassified	P05067
TCMT69	THRB	Thyroid hormone receptor beta-1	Nuclear receptor	P10828
TCMT8	KDM4E	Lysine-specific demethylase 4D-like	Oxidoreductase	B2RXH2
TCMT80	MAPK1	MAP kinase ERK2	Kinase	P28482
TCMT81	ALOX12	Arachidonate 12-lipoxygenase	Oxidoreductase	P18054
TCMT87	CYP2C9	Cytochrome P450 2C9	Oxidoreductase	P11712

Targeted Pathogenic Microbes by the Ingredient of Component

Target ID	Target Name
TCMT1218	Staphylococcus aureus
TCMT1251	Candida albicans
TCMT1349	Helicobacter pylori SS1
TCMT1382	Plasmodium falciparum (isolate K1 / Thailand)
TCMT1439	Mycobacterium smegmatis
TCMT1454	Bacillus subtilis
TCMT1462	Streptococcus mutans
TCMT1463	Mycobacterium tuberculosis

Ingredient Structrues

Ingredient ID: TCMC787
Formula: C12H8O4

Common Name	Bergapten
IUPAC Name	4-methoxyfuro[3,2-g]chromen-7-one
Canonical SMILES	COc1c2ccc(=O)oc2cc2c1cco2
Standard InCHI	InChI=1S/C12H8O4/c1-14-12-7-2-3-11(13)16-10(7)6-9-8(12)4-5-15-9/h2-6H,1H3
Standard InCHIKey	BGEBZHIAGXMEMV-UHFFFAOYSA-N
External Identifiers	ChEMBL [CHEMBL24171]; PubChem [2355];
Reference of Component-Ingredient Pair	22407843

Occurrence of the ingredient across TCM components

Component ID	Latin Name	Pinyin Name	Chinese Name
TCMH2630	Citrus aurantium	Zhi Shi	枳实
TCMH1656	Angelica decursiva	Qian Hu	前胡
TCMH2072	Rhodomyrtus tomentosa	Tao Jin Niang Gen	桃金娘根
TCMH1499	Changium smyrnioides	Ming Dang Shen	明党参
TCMH1872	Cnidium monnieri	She Ma Zi	蛇麻子
TCMH517	Angelica pubescens	Du Huo	独活
TCMH422	Angelica sinensis	Dang Gui Gan Jin Gao	当归干浸膏
TCMH74	Patrinia villosa	Bai Jiang	败酱
TCMH2562	Ruta graveolens	Yun Xiang Jin Gao	芸香浸膏
TCMH693	Cudrania cochinchinensis	Gou Ji	狗脊
TCMH1277	Alpinia officinarum	Liang Jiang	良姜
TCMH1864	Phytolacca esculenta	Shang Lu	商陆
TCMH1359	Pyrola calliantha	Lu Xian Cao	鹿衔草
TCMH2066	Santalum album	Tan Xiang	檀香
TCMH2174	Angelica dahurica	Wu Bai Zhi	吴白芷
TCMH403	Zanthoxylum echinocarpum	Dan Mian Zhen	单面针
TCMH1179	Citri exocarpium rubrum	Ju Hong	橘红
TCMH148	Glehnia littoralis	Bei Sha Shen Liu Jin Gao	北沙参流浸膏
TCMH562	Saposhnikovia divaricata	Fang Feng	防风
TCMH2180	Ficus carica	Wu Hua Guo	无花果
TCMH2282	Citrus medica	Xiang Yuan Pi	香橼皮
TCMH668	Rhodomyrtus tomentosa	Gang Ren Zi	岗稔子
TCMH421	Angelica sinensis	Dang Gui	当归
TCMH1866	Cnidium monnieri	She Chuang Zi	蛇床子
TCMH2281	Citrus medica	Xiang Yuan	香橼
TCMH279	Angelica pubescens	Chuan Du Huo	川独活
TCMH672	Alpinia officinarum	Gao Liang Jiang	高良姜
TCMH673	Alpinia officinarum	Gao Liang Jiang You	高良姜油
TCMH118	Angelica dahurica	Bai Zhi	白芷
TCMH119	Angelica dahurica	Bai Zhi Jin Gao Fen	白芷浸膏粉
TCMH1782	Ruta graveolens	San Ya Ku	三桠苦
TCMH253	Citrus aurantium	Cheng Pi	橙皮
TCMH2613	Citrus aurantium	Zhi Geng	枳梗
TCMH2618	Citrus aurantium	Zhi Ke	枳壳
TCMH2619	Citrus aurantium	Zhi Ke Gan Jin Gao	枳壳干浸膏
TCMH147	Glehnia littoralis	Bei Sha Shen	北沙参

Ingredient ID: TCMC567
Formula: C16H14O3

Common Name	6-(2-Methylbut-3-En-2-Yl)Furo[3,2-G]Chromen-7-One
IUPAC Name	6-(2-methylbut-3-en-2-yl)furo[3,2-g]chromen-7-one
Canonical SMILES	C=CC(c1cc2cc3ccoc3cc2oc1=O)(C)C
Standard InCHI	InChI=1S/C16H14O3/c1-4-16(2,3)12-8-11-7-10-5-6-18-13(10)9-14(11)19-15(12)17/h4-9H,1H2,2-3H3
Standard InCHIKey	FYCCCUNGXGKNJV-UHFFFAOYSA-N
External Identifiers	ChEMBL [CHEMBL1333931]; PubChem [128834];
Reference of Component-Ingredient Pair	N/A

Occurrence of the ingredient across TCM components

Component ID	Latin Name	Pinyin Name	Chinese Name
TCMH2562	Ruta graveolens	Yun Xiang Jin Gao	芸香浸膏
TCMH1782	Ruta graveolens	San Ya Ku	三桠苦

Ingredient ID: TCMC498
Formula: C9H6O3

Common Name	4-Hydroxycoumarins
IUPAC Name	4-hydroxychromen-2-one
Canonical SMILES	O=c1cc(O)c2c(o1)cccc2
Standard InCHI	InChI=1S/C9H6O3/c10-7-5-9(11)12-8-4-2-1-3-6(7)8/h1-5,10H
Standard InCHIKey	VXIXUWQIVKSKSA-UHFFFAOYSA-N
External Identifiers	ChEMBL [CHEMBL301141]; PubChem [54682930];
Reference of Component-Ingredient Pair	11201168

Occurrence of the ingredient across TCM components

Component ID	Latin Name	Pinyin Name	Chinese Name
TCMH1798	Morus alba	Sang Zhi	桑枝
TCMH2562	Ruta graveolens	Yun Xiang Jin Gao	芸香浸膏
TCMH202	Bombyx mori	Can Yong	蚕蛹
TCMH75	Bombyx mori	Bai Jiang Can	白僵蚕
TCMH197	Bombyx mori	Can E	蚕蛾
TCMH200	Bombyx mori	Can Jian	蚕茧
TCMH201	Bombyx mori	Can Sha	蚕砂
TCMH1792	Morus alba	Sang Pi	桑皮
TCMH1797	Morus alba	Sang Ye	桑叶
TCMH1782	Ruta graveolens	San Ya Ku	三桠苦

Ingredient ID: TCMC2551
Formula: C16H15NO4

Common Name	Arborinine
IUPAC Name	1-hydroxy-2,3-dimethoxy-10-methylacridin-9-one
Canonical SMILES	COc1cc2c(c(c1OC)O)c(=O)c1c(n2C)cccc1
Standard InCHI	InChI=1S/C16H15NO4/c1-17-10-7-5-4-6-9(10)14(18)13-11(17)8-12(20-2)16(21-3)15(13)19/h4-8,19H,1-3H3
Standard InCHIKey	ATBZZQPALSPNMF-UHFFFAOYSA-N
External Identifiers	ChEMBL [CHEMBL349609]; PubChem [5281832];
Reference of Component-Ingredient Pair	N/A

Occurrence of the ingredient across TCM components

Component ID	Latin Name	Pinyin Name	Chinese Name
TCMH2562	Ruta graveolens	Yun Xiang Jin Gao	芸香浸膏
TCMH1119	Rhizoma fagopyri cymosi	Jin Si Ai Tuo Tuo	金丝矮陀陀
TCMH2068	Daphne tangutica	Tang Gu Te Rui Xiang	唐古特瑞香
TCMH1782	Ruta graveolens	San Ya Ku	三桠苦

Ingredient ID: TCMC2442
Formula: C13H11NO3

Common Name	Pteleine
IUPAC Name	4,6-dimethoxyfuro[2,3-b]quinoline
Canonical SMILES	COc1c2cc(OC)ccc2nc2c1cco2
Standard InCHI	InChI=1S/C13H11NO3/c1-15-8-3-4-11-10(7-8)12(16-2)9-5-6-17-13(9)14-11/h3-7H,1-2H3
Standard InCHIKey	ALLQMEDAYDKMIO-UHFFFAOYSA-N
External Identifiers	ChEMBL [CHEMBL486165]; PubChem [159650];
Reference of Component-Ingredient Pair	21140651

Occurrence of the ingredient across TCM components

Component ID	Latin Name	Pinyin Name	Chinese Name
TCMH2374	Phellodendron amurense	Yan Guan Huang Bai	盐关黄柏
TCMH2562	Ruta graveolens	Yun Xiang Jin Gao	芸香浸膏
TCMH717	Phellodendron amurense	Guan Huang Bai	关黄柏
TCMH949	Phellodendron amurense	Huang Bai	黄柏
TCMH950	Phellodendron amurense	Huang Bai Fen	黄柏粉
TCMH951	Phellodendron amurense	Huang Bai Tan	黄柏炭
TCMH1782	Ruta graveolens	San Ya Ku	三桠苦

Ingredient ID: TCMC2245
Formula: C14H12O3

Common Name	Xanthyletin
IUPAC Name	2,2-dimethylpyrano[3,2-g]chromen-8-one
Canonical SMILES	CC1(C)C=Cc2c(O1)cc1c(c2)ccc(=O)o1
Standard InCHI	InChI=1S/C14H12O3/c1-14(2)6-5-10-7-9-3-4-13(15)16-11(9)8-12(10)17-14/h3-8H,1-2H3
Standard InCHIKey	QOTBQNVNUBKJMS-UHFFFAOYSA-N
External Identifiers	ChEMBL [CHEMBL303846]; PubChem [65188];
Reference of Component-Ingredient Pair	N/A

Occurrence of the ingredient across TCM components

Component ID	Latin Name	Pinyin Name	Chinese Name
TCMH2201	Securidaca inappendiculata	Wu Wei Teng	五味藤
TCMH568	Euphorbia hirta	Fei Yang Cao	飞杨草
TCMH2562	Ruta graveolens	Yun Xiang Jin Gao	芸香浸膏
TCMH2746	Piper hancei	Zuan Gu Feng	钻骨风
TCMH1184	Citrus reticulata	Ju Pi	橘皮
TCMH2069	Aconitum tanguticum	Tang Gu Te Wu Tou	唐古特乌头
TCMH1178	Citrus reticulata	Ju He	橘核
TCMH1782	Ruta graveolens	San Ya Ku	三桠苦
TCMH275	Piper hancei	Chuan Bi Feng	穿壁风

Ingredient ID: TCMC2204
Formula: C9H6O3

Common Name	Umbelliferone
IUPAC Name	7-hydroxychromen-2-one
Canonical SMILES	Oc1ccc2c(c1)oc(=O)cc2
Standard InCHI	InChI=1S/C9H6O3/c10-7-3-1-6-2-4-9(11)12-8(6)5-7/h1-5,10H
Standard InCHIKey	ORHBXUUXSCNDEV-UHFFFAOYSA-N
External Identifiers	ChEMBL [CHEMBL51628]; PubChem [5281426];
Reference of Component-Ingredient Pair	24685503

Occurrence of the ingredient across TCM components

Component ID	Latin Name	Pinyin Name	Chinese Name
TCMH1895	Rhodiola sacra	Sheng Di Hong Jing Tian	圣地红景天
TCMH211	Atractylodes lancea	Cang Zhu	苍术
TCMH457	Euphorbia humifusa	Di Mian Cao	地绵草
TCMH1214	Picrasma quassioides	Ku Mu	苦木
TCMH2630	Citrus aurantium	Zhi Shi	枳实
TCMH1656	Angelica decursiva	Qian Hu	前胡
TCMH2495	Artemisia capillaris	Yin Chen Hao Gan Jin Gao	茵陈蒿干浸膏
TCMH266	Clerodendrum bungei	Chu Mu Dan	臭牡丹
TCMH2143	Sophora flavescens	Tu Ku Shen	土苦参
TCMH2513	Rhododendron mucronulatum	Ying Shan Hong	映山红
TCMH120	Atractylodes macrocephala	Bai Zhu	白术
TCMH568	Euphorbia hirta	Fei Yang Cao	飞杨草
TCMH845	Auricularia auricula-judae	Hei Mu Er	黑木耳
TCMH1796	Morus alba	Sang Shen Qing Gao	桑葚清膏
TCMH1139	Radix euphorbiae pekinensis	Jing Da Ji	京大戟
TCMH2072	Rhodomyrtus tomentosa	Tao Jin Niang Gen	桃金娘根
TCMH2710	Homo sapiens	Zi He Che	紫河车
TCMH517	Angelica pubescens	Du Huo	独活
TCMH526	Eucommia ulmoides	Du Zhong Ye	杜仲叶
TCMH423	Embelia parviflora	Dang Gui Teng	当归藤
TCMH422	Angelica sinensis	Dang Gui Gan Jin Gao	当归干浸膏
TCMH1245	Stellera chamaejasme	Lang Du	狼毒
TCMH1197	Selaginella tamariscina	Juan Bai	卷柏
TCMH1798	Morus alba	Sang Zhi	桑枝
TCMH1486	Ephedra sinica	Mi Ma Huang	蜜麻黄
TCMH2562	Ruta graveolens	Yun Xiang Jin Gao	芸香浸膏
TCMH1359	Pyrola calliantha	Lu Xian Cao	鹿衔草
TCMH2748	Datura stramonium	Zui Xian Tao	醉仙桃
TCMH1000	Foeniculum vulgare	Hui Xiang	茴香
TCMH202	Bombyx mori	Can Yong	蚕蛹
TCMH2449	Atropa belladonna	Ye Dian Qie	野颠茄
TCMH1658	Euphorbia lathyris	Qian Jin Zi	千金子
TCMH1179	Citri exocarpium rubrum	Ju Hong	橘红
TCMH148	Glehnia littoralis	Bei Sha Shen Liu Jin Gao	北沙参流浸膏
TCMH2282	Citrus medica	Xiang Yuan Pi	香橼皮
TCMH1437	Rhododendron dauricum	Man Shan Hong	满山红
TCMH13	Artemisia argyi	Ai Ye You	艾叶油
TCMH2211	Artemisia princeps	Wu Yue Ai	五月艾
TCMH1846	Artemisia capillaris	Shan Yin Chen	山茵陈
TCMH2154	Artemisia capillaris	Tu Yin Chen Hao	土茵陈蒿
TCMH2494	Artemisia capillaris	Yin Chen Hao	茵陈蒿
TCMH668	Rhodomyrtus tomentosa	Gang Ren Zi	岗稔子
TCMH421	Angelica sinensis	Dang Gui	当归
TCMH2281	Citrus medica	Xiang Yuan	香橼
TCMH524	Eucommia ulmoides	Du Zhong	杜仲
TCMH525	Eucommia ulmoides	Du Zhong Tan	杜仲炭
TCMH1734	Homo sapiens	Ren Zhong Bai	人中白
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
TCMH371	Radix euphorbiae pekinensis	Da Ji	大戟
TCMH1215	Sophora flavescens	Ku Shen	苦参
TCMH2080	Sophora flavescens	Teng Ku Shen	藤苦参
TCMH279	Angelica pubescens	Chuan Du Huo	川独活
TCMH75	Bombyx mori	Bai Jiang Can	白僵蚕
TCMH197	Bombyx mori	Can E	蚕蛾
TCMH200	Bombyx mori	Can Jian	蚕茧
TCMH201	Bombyx mori	Can Sha	蚕砂
TCMH471	Atropa belladonna	Dian Qie Jin Gao	颠茄浸膏
TCMH472	Atropa belladonna	Dian Qie Liu Jin Gao	颠茄流浸膏
TCMH1792	Morus alba	Sang Pi	桑皮
TCMH1797	Morus alba	Sang Ye	桑叶
TCMH12	Artemisia argyi	Ai Ye	艾叶
TCMH1782	Ruta graveolens	San Ya Ku	三桠苦
TCMH454	Euphorbia humifusa	Di Jin Cao	地锦草
TCMH584	Datura stramonium	Feng Qie Hua	枫茄花
TCMH1442	Datura stramonium	Man Tuo Luo	曼陀罗
TCMH1443	Datura stramonium	Man Tuo Luo Jin Gao	曼陀罗浸膏
TCMH1794	Morus alba	Sang Shen	桑葚
TCMH1795	Morus alba	Sang Shen Jin Gao	桑葚浸膏
TCMH253	Citrus aurantium	Cheng Pi	橙皮
TCMH2613	Citrus aurantium	Zhi Geng	枳梗
TCMH2618	Citrus aurantium	Zhi Ke	枳壳
TCMH2619	Citrus aurantium	Zhi Ke Gan Jin Gao	枳壳干浸膏
TCMH147	Glehnia littoralis	Bei Sha Shen	北沙参

Ingredient ID: TCMC213
Formula: C21H22O7

Common Name	[(8S,9R)-8-(2-Acetyloxypropan-2-Yl)-2-Oxo-8,9-Dihydrofuro[2,3-H]Chromen-9-Yl] (Z)-2-Methylbut-2-Enoate
IUPAC Name	[(8S,9R)-8-(2-acetyloxypropan-2-yl)-2-oxo-8,9-dihydrofuro[2,3-h]chromen-9-yl] (Z)-2-methylbut-2-enoate
Canonical SMILES	C/C=C(C(=O)O[C@@H]1c2c(O[C@@H]1C(OC(=O)C)(C)C)ccc1c2oc(=O)cc1)/C
Standard InCHI	InChI=1S/C21H22O7/c1-6-11(2)20(24)27-18-16-14(25-19(18)21(4,5)28-12(3)22)9-7-13-8-10-15(23)26-17(13)16/h6-10,18-19H,1-5H3/b11-6-/t18-,19+/m1/s1
Standard InCHIKey	FFCDTHIJWHJUQJ-JZWAJAMXSA-N
External Identifiers	ChEMBL [CHEMBL1302068]; PubChem [5317013];
Reference of Component-Ingredient Pair	23649674

Occurrence of the ingredient across TCM components

Component ID	Latin Name	Pinyin Name	Chinese Name
TCMH1872	Cnidium monnieri	She Ma Zi	蛇麻子
TCMH2562	Ruta graveolens	Yun Xiang Jin Gao	芸香浸膏
TCMH1866	Cnidium monnieri	She Chuang Zi	蛇床子
TCMH1782	Ruta graveolens	San Ya Ku	三桠苦

Ingredient ID: TCMC2086
Formula: C14H13NO4

Common Name	Skimmianine
IUPAC Name	4,7,8-trimethoxyfuro[2,3-b]quinoline
Canonical SMILES	COc1ccc2c(c1OC)nc1c(c2OC)cco1
Standard InCHI	InChI=1S/C14H13NO4/c1-16-10-5-4-8-11(13(10)18-3)15-14-9(6-7-19-14)12(8)17-2/h4-7H,1-3H3
Standard InCHIKey	SLSIBLKBHNKZTB-UHFFFAOYSA-N
External Identifiers	ChEMBL [CHEMBL21396]; PubChem [6760];
Reference of Component-Ingredient Pair	23337743

Occurrence of the ingredient across TCM components

Component ID	Latin Name	Pinyin Name	Chinese Name
TCMH924	Zanthoxylum bungeanum	Hua Jiao	花椒
TCMH1165	Murraya paniculata	Jiu Li Xiang	九里香
TCMH1460	Zanthoxylum nitidum	Mao Liang Mian Zhen	毛两面针
TCMH1390	Poncirus trifoliata	Lv Yi Zhi Shi	绿衣枳实
TCMH2374	Phellodendron amurense	Yan Guan Huang Bai	盐关黄柏
TCMH2562	Ruta graveolens	Yun Xiang Jin Gao	芸香浸膏
TCMH1277	Alpinia officinarum	Liang Jiang	良姜
TCMH2511	Zanthoxylum avicennae	Ying Bu Bo	鹰不泊
TCMH1119	Rhizoma fagopyri cymosi	Jin Si Ai Tuo Tuo	金丝矮陀陀
TCMH2068	Daphne tangutica	Tang Gu Te Rui Xiang	唐古特瑞香
TCMH672	Alpinia officinarum	Gao Liang Jiang	高良姜
TCMH673	Alpinia officinarum	Gao Liang Jiang You	高良姜油
TCMH717	Phellodendron amurense	Guan Huang Bai	关黄柏
TCMH949	Phellodendron amurense	Huang Bai	黄柏
TCMH950	Phellodendron amurense	Huang Bai Fen	黄柏粉
TCMH951	Phellodendron amurense	Huang Bai Tan	黄柏炭
TCMH1782	Ruta graveolens	San Ya Ku	三桠苦

Ingredient ID: TCMC2014
Formula: C15H8O6

Common Name	Rhein
IUPAC Name	4,5-dihydroxy-9,10-dioxoanthracene-2-carboxylic acid
Canonical SMILES	Oc1cc(cc2c1C(=O)c1c(C2=O)cccc1O)C(=O)O
Standard InCHI	InChI=1S/C15H8O6/c16-9-3-1-2-7-11(9)14(19)12-8(13(7)18)4-6(15(20)21)5-10(12)17/h1-5,16-17H,(H,20,21)
Standard InCHIKey	FCDLCPWAQCPTKC-UHFFFAOYSA-N
External Identifiers	ChEMBL [CHEMBL418068]; PubChem [10168];
Reference of Component-Ingredient Pair	26185519

Occurrence of the ingredient across TCM components

Component ID	Latin Name	Pinyin Name	Chinese Name
TCMH1199	Cassia tora	Jue Ming Zi	决明子
TCMH921	Polygonum cuspidatum	Hu Zhang	虎杖
TCMH2244	Prunella vulgaris	Xia Ku Cao	夏枯草
TCMH1343	Aloe vera	Lu Hui	芦荟
TCMH2087	Grangea maderaspatana	Tian Ji Huang	田基黄
TCMH2335	Hemerocallis fulva	Xuan Cao Gen	萱草根
TCMH829	Semen pharbitidis	Hei Chou	黑丑
TCMH366	Rheum officinale	Da Huang Liu Jin Gao	大黄流浸膏
TCMH2562	Ruta graveolens	Yun Xiang Jin Gao	芸香浸膏
TCMH819	Polygonum multiflorum	He Shou Wu	何首乌
TCMH970	Vitex negundo	Huang Jing Zi	黄荆子
TCMH500	Benincasa hispida	Dong Gua Zi	冬瓜子
TCMH1965	Rheum palmatum	Shu Da Huang	熟大黄
TCMH498	Benincasa hispida	Dong Gua Pi	冬瓜皮
TCMH52	Semen pharbitidis	Bai Chou	白丑
TCMH363	Rheum officinale	Da Huang	大黄
TCMH365	Rheum officinale	Da Huang Jin Gao	大黄浸膏
TCMH1782	Ruta graveolens	San Ya Ku	三桠苦

Ingredient ID: TCMC1961
Formula: C11H6O3

Common Name	Psoralen
IUPAC Name	furo[3,2-g]chromen-7-one
Canonical SMILES	O=c1ccc2c(o1)cc1c(c2)cco1
Standard InCHI	InChI=1S/C11H6O3/c12-11-2-1-7-5-8-3-4-13-9(8)6-10(7)14-11/h1-6H
Standard InCHIKey	ZCCUUQDIBDJBTK-UHFFFAOYSA-N
External Identifiers	ChEMBL [CHEMBL164660]; PubChem [6199];
Reference of Component-Ingredient Pair	22407843

Occurrence of the ingredient across TCM components

Component ID	Latin Name	Pinyin Name	Chinese Name
TCMH1806	Radix glehniae	Sha Shen	沙参
TCMH1628	Fructus psoraleae corylifoliae	Po Gu Zhi	破故纸
TCMH1499	Changium smyrnioides	Ming Dang Shen	明党参
TCMH2215	Ficus simplicissima	Wu Zhi Mao Tao	五指毛桃
TCMH1872	Cnidium monnieri	She Ma Zi	蛇麻子
TCMH517	Angelica pubescens	Du Huo	独活
TCMH422	Angelica sinensis	Dang Gui Gan Jin Gao	当归干浸膏
TCMH193	Psoralea corylifolia	Bu Gu Zhi	补骨脂
TCMH670	Ligusticum sinense	Gao Ben	藁本
TCMH2562	Ruta graveolens	Yun Xiang Jin Gao	芸香浸膏
TCMH148	Glehnia littoralis	Bei Sha Shen Liu Jin Gao	北沙参流浸膏
TCMH562	Saposhnikovia divaricata	Fang Feng	防风
TCMH2180	Ficus carica	Wu Hua Guo	无花果
TCMH2069	Aconitum tanguticum	Tang Gu Te Wu Tou	唐古特乌头
TCMH421	Angelica sinensis	Dang Gui	当归
TCMH1866	Cnidium monnieri	She Chuang Zi	蛇床子
TCMH279	Angelica pubescens	Chuan Du Huo	川独活
TCMH1782	Ruta graveolens	San Ya Ku	三桠苦
TCMH147	Glehnia littoralis	Bei Sha Shen	北沙参

Ingredient ID: TCMC1551
Formula: C12H8O4

Common Name	Methoxsalen
IUPAC Name	9-methoxyfuro[3,2-g]chromen-7-one
Canonical SMILES	COc1c2oc(=O)ccc2cc2c1occ2
Standard InCHI	InChI=1S/C12H8O4/c1-14-12-10-8(4-5-15-10)6-7-2-3-9(13)16-11(7)12/h2-6H,1H3
Standard InCHIKey	QXKHYNVANLEOEG-UHFFFAOYSA-N
External Identifiers	ChEMBL [CHEMBL416]; PubChem [4114];
Reference of Component-Ingredient Pair	25455453

Occurrence of the ingredient across TCM components

Component ID	Latin Name	Pinyin Name	Chinese Name
TCMH1656	Angelica decursiva	Qian Hu	前胡
TCMH1628	Fructus psoraleae corylifoliae	Po Gu Zhi	破故纸
TCMH1542	Radix adenophorae	Nan Sha Shen	南沙参
TCMH1872	Cnidium monnieri	She Ma Zi	蛇麻子
TCMH517	Angelica pubescens	Du Huo	独活
TCMH422	Angelica sinensis	Dang Gui Gan Jin Gao	当归干浸膏
TCMH193	Psoralea corylifolia	Bu Gu Zhi	补骨脂
TCMH74	Patrinia villosa	Bai Jiang	败酱
TCMH2562	Ruta graveolens	Yun Xiang Jin Gao	芸香浸膏
TCMH1359	Pyrola calliantha	Lu Xian Cao	鹿衔草
TCMH2746	Piper hancei	Zuan Gu Feng	钻骨风
TCMH403	Zanthoxylum echinocarpum	Dan Mian Zhen	单面针
TCMH148	Glehnia littoralis	Bei Sha Shen Liu Jin Gao	北沙参流浸膏
TCMH562	Saposhnikovia divaricata	Fang Feng	防风
TCMH421	Angelica sinensis	Dang Gui	当归
TCMH1866	Cnidium monnieri	She Chuang Zi	蛇床子
TCMH279	Angelica pubescens	Chuan Du Huo	川独活
TCMH1782	Ruta graveolens	San Ya Ku	三桠苦
TCMH147	Glehnia littoralis	Bei Sha Shen	北沙参
TCMH275	Piper hancei	Chuan Bi Feng	穿壁风

Ingredient ID: TCMC1440
Formula: C14H13NO4

Common Name	Kokusaginine
IUPAC Name	4,6,7-trimethoxyfuro[2,3-b]quinoline
Canonical SMILES	COc1cc2c(cc1OC)nc1c(c2OC)cco1
Standard InCHI	InChI=1S/C14H13NO4/c1-16-11-6-9-10(7-12(11)17-2)15-14-8(4-5-19-14)13(9)18-3/h4-7H,1-3H3
Standard InCHIKey	JBRXRVFXQIKPEA-UHFFFAOYSA-N
External Identifiers	ChEMBL [CHEMBL278779]; PubChem [10227];
Reference of Component-Ingredient Pair	23574627

Occurrence of the ingredient across TCM components

Component ID	Latin Name	Pinyin Name	Chinese Name
TCMH924	Zanthoxylum bungeanum	Hua Jiao	花椒
TCMH568	Euphorbia hirta	Fei Yang Cao	飞杨草
TCMH2562	Ruta graveolens	Yun Xiang Jin Gao	芸香浸膏
TCMH1119	Rhizoma fagopyri cymosi	Jin Si Ai Tuo Tuo	金丝矮陀陀
TCMH2068	Daphne tangutica	Tang Gu Te Rui Xiang	唐古特瑞香
TCMH1782	Ruta graveolens	San Ya Ku	三桠苦

Ingredient ID: TCMC1404
Formula: C13H10O5

Common Name	Isopimpinellin
IUPAC Name	4,9-dimethoxyfuro[3,2-g]chromen-7-one
Canonical SMILES	COc1c2ccc(=O)oc2c(c2c1cco2)OC
Standard InCHI	InChI=1S/C13H10O5/c1-15-10-7-3-4-9(14)18-12(7)13(16-2)11-8(10)5-6-17-11/h3-6H,1-2H3
Standard InCHIKey	DFMAXQKDIGCMTL-UHFFFAOYSA-N
External Identifiers	ChEMBL [CHEMBL140796]; PubChem [68079];
Reference of Component-Ingredient Pair	22407843

Occurrence of the ingredient across TCM components

Component ID	Latin Name	Pinyin Name	Chinese Name
TCMH1656	Angelica decursiva	Qian Hu	前胡
TCMH1460	Zanthoxylum nitidum	Mao Liang Mian Zhen	毛两面针
TCMH1499	Changium smyrnioides	Ming Dang Shen	明党参
TCMH1872	Cnidium monnieri	She Ma Zi	蛇麻子
TCMH517	Angelica pubescens	Du Huo	独活
TCMH1245	Stellera chamaejasme	Lang Du	狼毒
TCMH74	Patrinia villosa	Bai Jiang	败酱
TCMH2562	Ruta graveolens	Yun Xiang Jin Gao	芸香浸膏
TCMH1277	Alpinia officinarum	Liang Jiang	良姜
TCMH2746	Piper hancei	Zuan Gu Feng	钻骨风
TCMH403	Zanthoxylum echinocarpum	Dan Mian Zhen	单面针
TCMH148	Glehnia littoralis	Bei Sha Shen Liu Jin Gao	北沙参流浸膏
TCMH562	Saposhnikovia divaricata	Fang Feng	防风
TCMH2282	Citrus medica	Xiang Yuan Pi	香橼皮
TCMH1866	Cnidium monnieri	She Chuang Zi	蛇床子
TCMH2281	Citrus medica	Xiang Yuan	香橼
TCMH279	Angelica pubescens	Chuan Du Huo	川独活
TCMH672	Alpinia officinarum	Gao Liang Jiang	高良姜
TCMH673	Alpinia officinarum	Gao Liang Jiang You	高良姜油
TCMH1782	Ruta graveolens	San Ya Ku	三桠苦
TCMH147	Glehnia littoralis	Bei Sha Shen	北沙参
TCMH275	Piper hancei	Chuan Bi Feng	穿壁风

Ingredient ID: TCMC1395
Formula: C16H14O4

Common Name	Isoimperatorin
IUPAC Name	4-(3-methylbut-2-enoxy)furo[3,2-g]chromen-7-one
Canonical SMILES	CC(=CCOc1c2ccoc2cc2c1ccc(=O)o2)C
Standard InCHI	InChI=1S/C16H14O4/c1-10(2)5-7-19-16-11-3-4-15(17)20-14(11)9-13-12(16)6-8-18-13/h3-6,8-9H,7H2,1-2H3
Standard InCHIKey	IGWDEVSBEKYORK-UHFFFAOYSA-N
External Identifiers	ChEMBL [CHEMBL448060]; PubChem [68081];
Reference of Component-Ingredient Pair	20082250

Occurrence of the ingredient across TCM components

Component ID	Latin Name	Pinyin Name	Chinese Name
TCMH463	Sanguisorba officinalis	Di Yu Tan	地榆炭
TCMH2642	Gardenia jasminoides	Zhi Zi Jin Gao	栀子浸膏
TCMH1499	Changium smyrnioides	Ming Dang Shen	明党参
TCMH517	Angelica pubescens	Du Huo	独活
TCMH422	Angelica sinensis	Dang Gui Gan Jin Gao	当归干浸膏
TCMH1665	Notopterygium incisum	Qiang Huo	羌活
TCMH2562	Ruta graveolens	Yun Xiang Jin Gao	芸香浸膏
TCMH1179	Citri exocarpium rubrum	Ju Hong	橘红
TCMH148	Glehnia littoralis	Bei Sha Shen Liu Jin Gao	北沙参流浸膏
TCMH562	Saposhnikovia divaricata	Fang Feng	防风
TCMH2282	Citrus medica	Xiang Yuan Pi	香橼皮
TCMH1437	Rhododendron dauricum	Man Shan Hong	满山红
TCMH2593	Octopus vulgaris	Zhang Yu	章鱼
TCMH421	Angelica sinensis	Dang Gui	当归
TCMH2281	Citrus medica	Xiang Yuan	香橼
TCMH279	Angelica pubescens	Chuan Du Huo	川独活
TCMH462	Sanguisorba officinalis	Di Yu	地榆
TCMH292	Notopterygium incisum	Chuan Qiang Huo	川羌活
TCMH1782	Ruta graveolens	San Ya Ku	三桠苦
TCMH147	Glehnia littoralis	Bei Sha Shen	北沙参
TCMH1856	Gardenia jasminoides	Shan Zhi	山栀
TCMH2641	Gardenia jasminoides	Zhi Zi	栀子

Ingredient ID: TCMC1319
Formula: C10H8O3

Common Name	Herniarin
IUPAC Name	7-methoxychromen-2-one
Canonical SMILES	COc1ccc2c(c1)oc(=O)cc2
Standard InCHI	InChI=1S/C10H8O3/c1-12-8-4-2-7-3-5-10(11)13-9(7)6-8/h2-6H,1H3
Standard InCHIKey	LIIALPBMIOVAHH-UHFFFAOYSA-N
External Identifiers	ChEMBL [CHEMBL49732]; PubChem [10748];
Reference of Component-Ingredient Pair	22860452

Occurrence of the ingredient across TCM components

Component ID	Latin Name	Pinyin Name	Chinese Name
TCMH2495	Artemisia capillaris	Yin Chen Hao Gan Jin Gao	茵陈蒿干浸膏
TCMH2562	Ruta graveolens	Yun Xiang Jin Gao	芸香浸膏
TCMH2362	Artemisia lactiflora	Ya Jiao Ai	鸭脚艾
TCMH2745	Stephania hernandifolia	Zuan Di Feng	钻地风
TCMH2035	Pinus massoniana	Song Zhi	松脂
TCMH1846	Artemisia capillaris	Shan Yin Chen	山茵陈
TCMH2154	Artemisia capillaris	Tu Yin Chen Hao	土茵陈蒿
TCMH2494	Artemisia capillaris	Yin Chen Hao	茵陈蒿
TCMH1417	Pinus massoniana	Ma Wei Song Gen	马尾松根
TCMH1418	Pinus massoniana	Ma Wei Song Shu Gen	马尾松树根
TCMH2033	Pinus massoniana	Song Xiang	松香
TCMH1782	Ruta graveolens	San Ya Ku	三桠苦
TCMH2017	Artemisia lactiflora	Si Ji Cai	四季菜

Ingredient ID: TCMC1289
Formula: C17H13NO3

Common Name	Graveoline
IUPAC Name	2-(1,3-benzodioxol-5-yl)-1-methylquinolin-4-one
Canonical SMILES	Cn1c(cc(=O)c2c1cccc2)c1ccc2c(c1)OCO2
Standard InCHI	InChI=1S/C17H13NO3/c1-18-13-5-3-2-4-12(13)15(19)9-14(18)11-6-7-16-17(8-11)21-10-20-16/h2-9H,10H2,1H3
Standard InCHIKey	COBBNRKBTCBWQP-UHFFFAOYSA-N
External Identifiers	ChEMBL [CHEMBL1371756]; PubChem [353825];
Reference of Component-Ingredient Pair	27729078

Occurrence of the ingredient across TCM components

Component ID	Latin Name	Pinyin Name	Chinese Name
TCMH2562	Ruta graveolens	Yun Xiang Jin Gao	芸香浸膏
TCMH1782	Ruta graveolens	San Ya Ku	三桠苦

Ingredient ID: TCMC1210
Formula: C13H11NO3

Common Name	Gamma-Fagarine
IUPAC Name	4,8-dimethoxyfuro[2,3-b]quinoline
Canonical SMILES	COc1cccc2c1nc1occc1c2OC
Standard InCHI	InChI=1S/C13H11NO3/c1-15-10-5-3-4-8-11(10)14-13-9(6-7-17-13)12(8)16-2/h3-7H,1-2H3
Standard InCHIKey	KFBCTNNQFGONHB-UHFFFAOYSA-N
External Identifiers	ChEMBL [CHEMBL252925]; PubChem [107936];
Reference of Component-Ingredient Pair	22090957

Occurrence of the ingredient across TCM components

Component ID	Latin Name	Pinyin Name	Chinese Name
TCMH1165	Murraya paniculata	Jiu Li Xiang	九里香
TCMH2374	Phellodendron amurense	Yan Guan Huang Bai	盐关黄柏
TCMH2562	Ruta graveolens	Yun Xiang Jin Gao	芸香浸膏
TCMH1277	Alpinia officinarum	Liang Jiang	良姜
TCMH2511	Zanthoxylum avicennae	Ying Bu Bo	鹰不泊
TCMH672	Alpinia officinarum	Gao Liang Jiang	高良姜
TCMH673	Alpinia officinarum	Gao Liang Jiang You	高良姜油
TCMH717	Phellodendron amurense	Guan Huang Bai	关黄柏
TCMH949	Phellodendron amurense	Huang Bai	黄柏
TCMH950	Phellodendron amurense	Huang Bai Fen	黄柏粉
TCMH951	Phellodendron amurense	Huang Bai Tan	黄柏炭
TCMH1782	Ruta graveolens	San Ya Ku	三桠苦

Properties

Ingredient ID	Formulae	Name	MW	AlogP	MlogP	XlogP	# HBA	# HBD	PSA	# Rotatable Bond	# Ring	# Heacy Atom
TCMC213	C21H22O7	[(8S,9R)-8-(2-Acetyloxypropan-2-Yl)-2-Oxo-8,9-Dihydrofuro[2,3-H]Chromen-9-Yl] (Z)-2-Methylbut-2-Enoate	386.14	1.7906	3	3.54	5	0	88.13	11	3	28
TCMC498	C9H6O3	4-Hydroxycoumarins	162.03	-0.2931	2.12	2.292	2	1	46.53	1	2	12
TCMC567	C16H14O3	6-(2-Methylbut-3-En-2-Yl)Furo[3,2-G]Chromen-7-One	254.09	1.6487	2.89	4.517	1	0	39.44	4	3	19
TCMC787	C12H8O4	Bergapten	216.04	0.0641	2.34	1.69	1	0	48.67	2	3	16
TCMC1210	C13H11NO3	Gamma-Fagarine	229.07	-0.2577	2.45	2.068	1	0	44.49	4	3	17
TCMC1289	C17H13NO3	Graveoline	279.09	-0.5367	2.89	4.12	2	0	38.77	2	4	21
TCMC1319	C10H8O3	Herniarin	176.05	0.2182	2.23	2.051	1	0	35.53	2	2	13
TCMC1395	C16H14O4	Isoimperatorin	270.09	1.5296	2.78	2.891	1	0	48.67	5	3	20
TCMC1404	C13H10O5	Isopimpinellin	246.05	0.0123	2.34	1.246	1	0	57.9	4	3	18
TCMC1440	C14H13NO4	Kokusaginine	259.08	-0.3095	2.45	1.624	1	0	53.72	6	3	19
TCMC1551	C12H8O4	Methoxsalen	216.04	0.0641	2.34	1.69	1	0	48.67	2	3	16
TCMC1961	C11H6O3	Psoralen	186.03	0.1159	2.34	2.134	1	0	39.44	0	3	14
TCMC2014	C15H8O6	Rhein	284.03	-1.688	2.45	0.541	4	3	111.9	4	3	21
TCMC2086	C14H13NO4	Skimmianine	259.08	-0.3095	2.45	1.624	1	0	53.72	6	3	19
TCMC2204	C9H6O3	Umbelliferone	162.03	-0.1903	2.12	1.532	1	1	46.53	1	2	12
TCMC2245	C14H12O3	Xanthyletin	228.08	1.1778	2.67	2.932	1	0	35.53	2	3	17
TCMC2442	C13H11NO3	Pteleine	229.07	-0.2577	2.45	2.068	1	0	44.49	4	3	17
TCMC2551	C16H15NO4	Arborinine	285.1	-0.7122	2.67	1.906	2	1	59	6	3	21

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: Ruta graveolens 三桠苦

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: TCMC787

Occurrence of the ingredient across TCM components

Ingredient ID: TCMC567

Occurrence of the ingredient across TCM components

Ingredient ID: TCMC498

Occurrence of the ingredient across TCM components

Ingredient ID: TCMC2551

Occurrence of the ingredient across TCM components

Ingredient ID: TCMC2442

Occurrence of the ingredient across TCM components

Ingredient ID: TCMC2245

Occurrence of the ingredient across TCM components

Ingredient ID: TCMC2204

Occurrence of the ingredient across TCM components

Ingredient ID: TCMC213

Occurrence of the ingredient across TCM components

Ingredient ID: TCMC2086

Occurrence of the ingredient across TCM components

Ingredient ID: TCMC2014

Occurrence of the ingredient across TCM components

Ingredient ID: TCMC1961

Occurrence of the ingredient across TCM components

Ingredient ID: TCMC1551

Occurrence of the ingredient across TCM components

Ingredient ID: TCMC1440

Occurrence of the ingredient across TCM components

Ingredient ID: TCMC1404

Occurrence of the ingredient across TCM components

Ingredient ID: TCMC1395

Occurrence of the ingredient across TCM components

Ingredient ID: TCMC1319

Occurrence of the ingredient across TCM components

Ingredient ID: TCMC1289

Occurrence of the ingredient across TCM components

Ingredient ID: TCMC1210

Occurrence of the ingredient across TCM components

Properties

Download Data