TCM-ID Component

Description of the Component

Component ID	TCMH560
Latin Name	Cassia angustifolia
English Name	Narrowleaf senna leaf
Chinese Pinyin Name	Fan Xie Ye
中文名	番泻叶
TCM Properties	Sweet, bitter,cold
TCM Meridians
Therapeutic Class English	Purging
Therapeutic Class Chinese	泻下
Functions	purge feces downward
Toxicity	NA
Geo-authentic habitats (道地产区)	Hainan Province
Reference	Chinese Pharmacopoeia (2015)
Barcode ID	KU174619
Barcode Source	GenBank

TCM Prescriptions with the Component

Prescription ID	Prescription English Name	Prescription Chinese Name
TCMF894	He Dan Tablet	荷丹片
TCMF4236	Niu Huang Qing Wei Pills	牛黄清胃丸
TCMFx5794	Tong Bian Ling Capsules	通便灵胶囊

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
TCMT11	HIF1A	Hypoxia-inducible factor 1 alpha	Transcription factor	Q16665
TCMT125	GBA	Beta-glucocerebrosidase	Hydrolase	P04062
TCMT130	ALOX5	Arachidonate 5-lipoxygenase	Oxidoreductase	P09917
TCMT131	ACHE	Acetylcholinesterase	Hydrolase	P22303
TCMT132	BCHE	Butyrylcholinesterase	Hydrolase	P06276
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
TCMT158	EPHX2	Epoxide hydratase	Lyase	P34913
TCMT159	TYR	Tyrosinase	Oxidoreductase	P14679
TCMT164	PTGS1	Cyclooxygenase-1	Oxidoreductase	P23219
TCMT187	AR	Androgen Receptor	Nuclear receptor	P10275
TCMT2	MAPT	Microtubule-associated protein tau	Unclassified	P10636
TCMT207	BACE1	Beta-secretase 1	Protease	P56817
TCMT215	CYP1A1	Cytochrome P450 1A1	Oxidoreductase	P04798
TCMT219	CYP1A2	Cytochrome P450 1A2	Oxidoreductase	P05177
TCMT22	ALPI	Intestinal alkaline phosphatase	Hydrolase	P09923
TCMT223	AKR1B1	Aldose reductase	Oxidoreductase	P15121
TCMT23	ALPL	Alkaline phosphatase, tissue-nonspecific isozyme	Hydrolase	P05186
TCMT239	PIM1	Serine/threonine-protein kinase PIM1	Kinase	P11309
TCMT240	AMY1A	Salivary alpha-amylase	Unclassified	P04745
TCMT249	CDK6	Cyclin-dependent kinase 6	Kinase	Q00534
TCMT257	CYP1B1	Cytochrome P450 1B1	Oxidoreductase	Q16678
TCMT260	FLT3	Tyrosine-protein kinase receptor FLT3	Kinase	P36888
TCMT261	DAPK1	Death-associated protein kinase 1	Kinase	P53355
TCMT283	PTPRS	Receptor-type tyrosine-protein phosphatase S	Hydrolase	Q13332
TCMT3	ALOX15	Arachidonate 15-lipoxygenase	Oxidoreductase	P16050
TCMT30	PTGS2	Cyclooxygenase-2	Oxidoreductase	P35354
TCMT31	CYP2C19	Cytochrome P450 2C19	Oxidoreductase	P33261
TCMT318	HKDC1	Putative hexokinase HKDC1	Transferase	Q2TB90
TCMT33	CYP3A4	Cytochrome P450 3A4	Oxidoreductase	P08684
TCMT34	CYP2D6	Cytochrome P450 2D6	Oxidoreductase	P10635
TCMT41	IDH1	Isocitrate dehydrogenase [NADP] cytoplasmic	Oxidoreductase	O75874
TCMT423	EGFR	Epidermal growth factor receptor erbB1	Kinase	P00533
TCMT44	GLO1	Glyoxalase I	Lyase	Q04760
TCMT45	APP	Beta amyloid A4 protein	Unclassified	P05067
TCMT558	TOP2A	DNA topoisomerase II alpha	Isomerase	P11388
TCMT591	ESRRA	Estrogen-related receptor alpha	Nuclear receptor	P11474
TCMT592	XDH	Xanthine dehydrogenase	Oxidoreductase	P47989
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
TCMT81	ALOX12	Arachidonate 12-lipoxygenase	Oxidoreductase	P18054
TCMT82	ESR1	Estrogen receptor alpha	Nuclear receptor	P03372
TCMT87	CYP2C9	Cytochrome P450 2C9	Oxidoreductase	P11712
TCMT95	MPG	DNA-3-methyladenine glycosylase	Hydrolase	P29372

Targeted Pathogenic Microbes by the Ingredient of Component

Target ID	Target Name
TCMT1094	3-oxoacyl-acyl-carrier protein reductase
TCMT1099	Neuraminidase
TCMT1109	Reverse transcriptase
TCMT1121	Sialidase
TCMT1178	Actinomyces viscosus
TCMT1462	Streptococcus mutans
TCMT1464	Hepatitis B virus
TCMT1465	Entamoeba histolytica

Ingredient Structrues

Ingredient ID: TCMC6749
Formula: C42H40O19

Common Name	Sennoside D
IUPAC Name	(9R)-4-hydroxy-9-[(9S)-4-hydroxy-2-(hydroxymethyl)-10-oxo-5-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-9H-anthracen-9-yl]-10-oxo-5-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-9H-anthracene-2-carboxylic acid
Canonical SMILES	OCc1cc(O)c2c(c1)[C@@H]([C@@H]1c3cccc(c3C(=O)c3c1cc(cc3O)C(=O)[O-])O[C@@H]1O[C@H](CO)[C@H]([C@@H]([C@H]1O)O)O)c1c(C2=O)c(ccc1)O[C@@H]1O[C@H](CO)[C@H]([C@@H]([C@H]1O)O)O
Standard InCHI	InChI=1S/C42H40O19/c43-11-14-7-18-26(16-3-1-5-22(30(16)34(50)28(18)20(46)8-14)58-41-38(54)36(52)32(48)24(12-44)60-41)27-17-4-2-6-23(59-42-39(55)37(53)33(49)25(13-45)61-42)31(17)35(51)29-19(27)9-15(40(56)57)10-21(29)47/h1-10,24-27,32-33,36-39,41-49,52-55H,11-13H2,(H,56,57)/p-1/t24-,25-,26+,27-,32-,33-,36+,37+,38-,39-,41-,42-/m1/s1
Standard InCHIKey	ZFWOUNNKSHIAFK-MIIKWYNKSA-M
External Identifiers	ChEMBL [N/A]; PubChem [46173830];
Reference of Component-Ingredient Pair	7280090

Occurrence of the ingredient across TCM components

Component ID	Latin Name	Pinyin Name	Chinese Name
TCMH560	Cassia angustifolia	Fan Xie Ye	番泻叶

Ingredient ID: TCMC6748
Formula: C42H40O19

Common Name	Sennoside C
IUPAC Name	(9R)-4-hydroxy-9-[(9R)-4-hydroxy-2-(hydroxymethyl)-10-oxo-5-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-9H-anthracen-9-yl]-10-oxo-5-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-9H-anthracene-2-carboxylic acid
Canonical SMILES	OCc1cc(O)c2c(c1)[C@H]([C@@H]1c3cccc(c3C(=O)c3c1cc(cc3O)C(=O)[O-])O[C@@H]1O[C@H](CO)[C@H]([C@@H]([C@H]1O)O)O)c1c(C2=O)c(ccc1)O[C@@H]1O[C@H](CO)[C@H]([C@@H]([C@H]1O)O)O
Standard InCHI	InChI=1S/C42H40O19/c43-11-14-7-18-26(16-3-1-5-22(30(16)34(50)28(18)20(46)8-14)58-41-38(54)36(52)32(48)24(12-44)60-41)27-17-4-2-6-23(59-42-39(55)37(53)33(49)25(13-45)61-42)31(17)35(51)29-19(27)9-15(40(56)57)10-21(29)47/h1-10,24-27,32-33,36-39,41-49,52-55H,11-13H2,(H,56,57)/p-1/t24-,25-,26-,27-,32-,33-,36+,37+,38-,39-,41-,42-/m1/s1
Standard InCHIKey	ZFWOUNNKSHIAFK-RDAFFBQNSA-M
External Identifiers	ChEMBL [N/A]; PubChem [46173829];
Reference of Component-Ingredient Pair	7280090

Occurrence of the ingredient across TCM components

Component ID	Latin Name	Pinyin Name	Chinese Name
TCMH363	Rheum officinale	Da Huang	大黄
TCMH560	Cassia angustifolia	Fan Xie Ye	番泻叶

Ingredient ID: TCMC663
Formula: C15H10O5

Common Name	Aloe-Emodin
IUPAC Name	1,8-dihydroxy-3-(hydroxymethyl)anthracene-9,10-dione
Canonical SMILES	OCc1cc(O)c2c(c1)C(=O)c1c(C2=O)c(O)ccc1
Standard InCHI	InChI=1S/C15H10O5/c16-6-7-4-9-13(11(18)5-7)15(20)12-8(14(9)19)2-1-3-10(12)17/h1-5,16-18H,6H2
Standard InCHIKey	YDQWDHRMZQUTBA-UHFFFAOYSA-N
External Identifiers	ChEMBL [CHEMBL40275]; PubChem [10207];
Reference of Component-Ingredient Pair	24854283

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
TCMH2445	Cassia angustifolia	Yang Xie	洋泻
TCMH1589	Rumex patientia	Niu Xi Xi	牛西西
TCMH1343	Aloe vera	Lu Hui	芦荟
TCMH2087	Grangea maderaspatana	Tian Ji Huang	田基黄
TCMH2505	Siphonostegia chinensis	Yin Xing Cao	阴行草
TCMH2335	Hemerocallis fulva	Xuan Cao Gen	萱草根
TCMH1519	Oroxylum indicum	Mu Hu Die	木蝴蝶
TCMH366	Rheum officinale	Da Huang Liu Jin Gao	大黄流浸膏
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
TCMH363	Rheum officinale	Da Huang	大黄
TCMH365	Rheum officinale	Da Huang Jin Gao	大黄浸膏
TCMH560	Cassia angustifolia	Fan Xie Ye	番泻叶

Ingredient ID: TCMC5766
Formula: C30H22O8

Common Name	Aloeemodin Bianthrone
IUPAC Name	(10S)-10-[(9S)-4,5-dihydroxy-2-(hydroxymethyl)-10-oxo-9H-anthracen-9-yl]-1,8-dihydroxy-3-(hydroxymethyl)-10H-anthracen-9-one
Canonical SMILES	OCc1cc(O)c2c(c1)[C@@H]([C@H]1c3cccc(c3C(=O)c3c1cc(CO)cc3O)O)c1c(C2=O)c(O)ccc1
Standard InCHI	InChI=1S/C30H22O8/c31-11-13-7-17-23(15-3-1-5-19(33)25(15)29(37)27(17)21(35)9-13)24-16-4-2-6-20(34)26(16)30(38)28-18(24)8-14(12-32)10-22(28)36/h1-10,23-24,31-36H,11-12H2/t23-,24-/m0/s1
Standard InCHIKey	UKTUEGXCIOJVKY-ZEQRLZLVSA-N
External Identifiers	ChEMBL [N/A]; PubChem [11706168];
Reference of Component-Ingredient Pair	N/A

Occurrence of the ingredient across TCM components

Component ID	Latin Name	Pinyin Name	Chinese Name
TCMH560	Cassia angustifolia	Fan Xie Ye	番泻叶

Ingredient ID: TCMC3240
Formula: C42H38O20

Common Name	Sennoside A
IUPAC Name	(9R)-9-[(9R)-2-carboxy-4-hydroxy-10-oxo-5-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-9H-anthracen-9-yl]-4-hydroxy-10-oxo-5-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-9H-anthracene-2-carboxylic acid
Canonical SMILES	OC[C@H]1O[C@@H](Oc2cccc3c2C(=O)c2c([C@@H]3[C@H]3c4cc(cc(c4C(=O)c4c3cccc4O[C@@H]3O[C@H](CO)[C@H]([C@@H]([C@H]3O)O)O)O)C(=O)[O-])cc(cc2O)C(=O)[O-])[C@@H]([C@H]([C@@H]1O)O)O
Standard InCHI	InChI=1S/C42H38O20/c43-11-23-31(47)35(51)37(53)41(61-23)59-21-5-1-3-15-25(17-7-13(39(55)56)9-19(45)27(17)33(49)29(15)21)26-16-4-2-6-22(60-42-38(54)36(52)32(48)24(12-44)62-42)30(16)34(50)28-18(26)8-14(40(57)58)10-20(28)46/h1-10,23-26,31-32,35-38,41-48,51-54H,11-12H2,(H,55,56)(H,57,58)/p-2/t23-,24-,25-,26-,31-,32-,35+,36+,37-,38-,41-,42-/m1/s1
Standard InCHIKey	IPQVTOJGNYVQEO-KGFNBKMBSA-L
External Identifiers	ChEMBL [CHEMBL2368547]; PubChem [73111];
Reference of Component-Ingredient Pair	10952069

Occurrence of the ingredient across TCM components

Component ID	Latin Name	Pinyin Name	Chinese Name
TCMH363	Rheum officinale	Da Huang	大黄
TCMH560	Cassia angustifolia	Fan Xie Ye	番泻叶
TCMH826	Terminalia chebula	He Zi	诃子

Ingredient ID: TCMC255
Formula: C15H12O4

Common Name	1,8-Dihydroxy-3-Methyl-4A,9A-Dihydroanthracene-9,10-Dione
IUPAC Name	1,8-dihydroxy-3-methyl-4a,9a-dihydroanthracene-9,10-dione
Canonical SMILES	CC1=CC2C(C(=C1)O)C(=O)c1c(C2=O)cccc1O
Standard InCHI	InChI=1S/C15H12O4/c1-7-5-9-13(11(17)6-7)15(19)12-8(14(9)18)3-2-4-10(12)16/h2-6,9,13,16-17H,1H3
Standard InCHIKey	RJOOIZGQOJJWMS-UHFFFAOYSA-N
External Identifiers	ChEMBL [CHEMBL443640]; PubChem [24867638];
Reference of Component-Ingredient Pair	N/A

Occurrence of the ingredient across TCM components

Component ID	Latin Name	Pinyin Name	Chinese Name
TCMH1905	Radix et rhizoma rhei	Sheng Jun	生军
TCMH219	Semen cassiae	Cao Jue Ming	草决明
TCMH1199	Cassia tora	Jue Ming Zi	决明子
TCMH1657	Radix moghaniae philippinensis	Qian Jin Ba	千斤拔
TCMH962	Hemerocallis citrina	Huang Hua	黄花
TCMH307	Cnidium officinale	Chuan Xiong Jin Gao	川芎浸膏
TCMH2347	Ventilago leiocarpa	Xue Feng Teng	血风藤
TCMH921	Polygonum cuspidatum	Hu Zhang	虎杖
TCMH2445	Cassia angustifolia	Yang Xie	洋泻
TCMH1589	Rumex patientia	Niu Xi Xi	牛西西
TCMH1343	Aloe vera	Lu Hui	芦荟
TCMH2335	Hemerocallis fulva	Xuan Cao Gen	萱草根
TCMH366	Rheum officinale	Da Huang Liu Jin Gao	大黄流浸膏
TCMH670	Ligusticum sinense	Gao Ben	藁本
TCMH1963	Caulis polygoni multiflori	Shou Wu Teng	首乌藤
TCMH819	Polygonum multiflorum	He Shou Wu	何首乌
TCMH2452	Chrysanthemum indicum	Ye Ju Hua	野菊花
TCMH2048	Rumex acetosa	Suan Mo	酸模
TCMH2624	Anemarrhena asphodeloides	Zhi Mu	知母
TCMH1588	Achyranthes bidentata	Niu Xi	牛膝
TCMH1965	Rheum palmatum	Shu Da Huang	熟大黄
TCMH1584	Achyranthes bidentata	Niu Teng	牛藤
TCMH363	Rheum officinale	Da Huang	大黄
TCMH365	Rheum officinale	Da Huang Jin Gao	大黄浸膏
TCMH560	Cassia angustifolia	Fan Xie Ye	番泻叶
TCMH305	Cnidium officinale	Chuan Xiong	川芎
TCMH1904	Radix et rhizoma rhei	Sheng Jin Wen	生锦纹

Ingredient ID: TCMC1889
Formula: C16H12O5

Common Name	Physcion
IUPAC Name	1,8-dihydroxy-3-methoxy-6-methylanthracene-9,10-dione
Canonical SMILES	COc1cc(O)c2c(c1)C(=O)c1c(C2=O)c(O)cc(c1)C
Standard InCHI	InChI=1S/C16H12O5/c1-7-3-9-13(11(17)4-7)16(20)14-10(15(9)19)5-8(21-2)6-12(14)18/h3-6,17-18H,1-2H3
Standard InCHIKey	FFWOKTFYGVYKIR-UHFFFAOYSA-N
External Identifiers	ChEMBL [CHEMBL42624]; PubChem [10639];
Reference of Component-Ingredient Pair	29667811

Occurrence of the ingredient across TCM components

Component ID	Latin Name	Pinyin Name	Chinese Name
TCMH86	Ampelopsis japonica	Bai Lian	白蔹
TCMH1199	Cassia tora	Jue Ming Zi	决明子
TCMH1657	Radix moghaniae philippinensis	Qian Jin Ba	千斤拔
TCMH2631	Radix polygoni multiflori preparata	Zhi Shou Wu	制首乌
TCMH2347	Ventilago leiocarpa	Xue Feng Teng	血风藤
TCMH921	Polygonum cuspidatum	Hu Zhang	虎杖
TCMH2445	Cassia angustifolia	Yang Xie	洋泻
TCMH1589	Rumex patientia	Niu Xi Xi	牛西西
TCMH2218	Rubia cordifolia	Qian Cao Teng	茜草藤
TCMH1923	Acorus tatarinowii	Shi Chang Pu Qing Gao	石菖蒲清膏
TCMH2087	Grangea maderaspatana	Tian Ji Huang	田基黄
TCMH2505	Siphonostegia chinensis	Yin Xing Cao	阴行草
TCMH2728	Aster tataricus	Zi Wan	紫菀
TCMH2429	Bletilla striata	Yang Jiao Qi	羊角七
TCMH829	Semen pharbitidis	Hei Chou	黑丑
TCMH366	Rheum officinale	Da Huang Liu Jin Gao	大黄流浸膏
TCMH31	Morinda officinalis	Ba Ji Tian	巴戟天
TCMH819	Polygonum multiflorum	He Shou Wu	何首乌
TCMH2048	Rumex acetosa	Suan Mo	酸模
TCMH500	Benincasa hispida	Dong Gua Zi	冬瓜子
TCMH2536	Prunus japonica	Yu Li Ren	郁李仁
TCMH35	Dysosma versipellis	Ba Jiao Lian	八角莲
TCMH1965	Rheum palmatum	Shu Da Huang	熟大黄
TCMH358	Areca catechu	Da Fu Zi	大腹子
TCMH72	Bletilla striata	Bai Ji	白芨
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
TCMH557	Aster tataricus	Fan Hun Cao	返魂草
TCMH939	Aster tataricus	Huai Hun Cao	还魂草
TCMH1490	Aster tataricus	Mi Zi Wan	蜜紫菀
TCMH560	Cassia angustifolia	Fan Xie Ye	番泻叶
TCMH182	Areca catechu	Bing Lang	槟榔
TCMH1920	Acorus tatarinowii	Shi Chang Pu	石菖蒲
TCMH1922	Acorus tatarinowii	Shi Chang Pu Jin Gao	石菖蒲浸膏

Ingredient ID: TCMC179
Formula: C30H28O8

Common Name	(Z)-1-[6-[(3-Acetyl-2,4,6-Trihydroxy-5-Methylphenyl)Methyl]-5,7-Dihydroxy-2,2-Dimethylchromen-8-Yl]-3-Phenylprop-2-En-1-One
IUPAC Name	(Z)-1-[6-[(3-acetyl-2,4,6-trihydroxy-5-methylphenyl)methyl]-5,7-dihydroxy-2,2-dimethylchromen-8-yl]-3-phenylprop-2-en-1-one
Canonical SMILES	O=C(c1c(O)c(Cc2c(O)c(C)c(c(c2O)C(=O)C)O)c(c2c1OC(C)(C)C=C2)O)/C=Cc1ccccc1
Standard InCHI	InChI=1S/C30H28O8/c1-15-24(33)19(27(36)22(16(2)31)25(15)34)14-20-26(35)18-12-13-30(3,4)38-29(18)23(28(20)37)21(32)11-10-17-8-6-5-7-9-17/h5-13,33-37H,14H2,1-4H3/b11-10-
Standard InCHIKey	DEZFNHCVIZBHBI-KHPPLWFESA-N
External Identifiers	ChEMBL [CHEMBL1330502]; PubChem [6603986];
Reference of Component-Ingredient Pair	N/A

Occurrence of the ingredient across TCM components

Component ID	Latin Name	Pinyin Name	Chinese Name
TCMH1199	Cassia tora	Jue Ming Zi	决明子
TCMH2445	Cassia angustifolia	Yang Xie	洋泻
TCMH1589	Rumex patientia	Niu Xi Xi	牛西西
TCMH1343	Aloe vera	Lu Hui	芦荟
TCMH366	Rheum officinale	Da Huang Liu Jin Gao	大黄流浸膏
TCMH363	Rheum officinale	Da Huang	大黄
TCMH365	Rheum officinale	Da Huang Jin Gao	大黄浸膏
TCMH560	Cassia angustifolia	Fan Xie Ye	番泻叶

Ingredient ID: TCMC143
Formula: C42H38O20

Common Name	(9R)-9-[(9R)-2-Carboxy-4-Hydroxy-10-Oxo-5-[(3R,4S,5S,6R)-3,4,5-Trihydroxy-6-(Hydroxymethyl)Oxan-2-Yl]Oxy-9H-Anthracen-9-Yl]-4-Hydroxy-10-Oxo-5-[(2S,3R,4S,5S,6R)-3,4,5-Trihydroxy-6-(Hydroxymethyl)Oxan-2-Yl]Oxy-9H-Anthracene-2-Carboxylic Acid
IUPAC Name	(9R)-9-[(9R)-2-carboxy-4-hydroxy-10-oxo-5-[(3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-9H-anthracen-9-yl]-4-hydroxy-10-oxo-5-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-9H-anthracene-2-carboxylic acid
Canonical SMILES	OC[C@H]1OC(Oc2cccc3c2C(=O)c2c([C@@H]3[C@H]3c4cc(cc(c4C(=O)c4c3cccc4O[C@@H]3O[C@H](CO)[C@H]([C@@H]([C@H]3O)O)O)O)C(=O)O)cc(cc2O)C(=O)O)[C@@H]([C@H]([C@@H]1O)O)O
Standard InCHI	InChI=1S/C42H38O20/c43-11-23-31(47)35(51)37(53)41(61-23)59-21-5-1-3-15-25(17-7-13(39(55)56)9-19(45)27(17)33(49)29(15)21)26-16-4-2-6-22(60-42-38(54)36(52)32(48)24(12-44)62-42)30(16)34(50)28-18(26)8-14(40(57)58)10-20(28)46/h1-10,23-26,31-32,35-38,41-48,51-54H,11-12H2,(H,55,56)(H,57,58)/t23-,24-,25-,26-,31-,32-,35+,36+,37-,38-,41-,42?/m1/s1
Standard InCHIKey	IPQVTOJGNYVQEO-GTCVFCFLSA-N
External Identifiers	ChEMBL [CHEMBL1362935]; PubChem [16218404];
Reference of Component-Ingredient Pair	N/A

Occurrence of the ingredient across TCM components

Component ID	Latin Name	Pinyin Name	Chinese Name
TCMH1905	Radix et rhizoma rhei	Sheng Jun	生军
TCMH2445	Cassia angustifolia	Yang Xie	洋泻
TCMH827	Terminalia chebula	He Zi Rou	诃子肉
TCMH366	Rheum officinale	Da Huang Liu Jin Gao	大黄流浸膏
TCMH1965	Rheum palmatum	Shu Da Huang	熟大黄
TCMH363	Rheum officinale	Da Huang	大黄
TCMH365	Rheum officinale	Da Huang Jin Gao	大黄浸膏
TCMH210	Terminalia chebula	Cang Qing Guo	藏青果
TCMH826	Terminalia chebula	He Zi	诃子
TCMH560	Cassia angustifolia	Fan Xie Ye	番泻叶
TCMH1904	Radix et rhizoma rhei	Sheng Jin Wen	生锦纹

Ingredient ID: TCMC1429
Formula: C15H10O6

Common Name	Kaempferol
IUPAC Name	3,5,7-trihydroxy-2-(4-hydroxyphenyl)chromen-4-one
Canonical SMILES	Oc1ccc(cc1)c1oc2cc(O)cc(c2c(=O)c1O)O
Standard InCHI	InChI=1S/C15H10O6/c16-8-3-1-7(2-4-8)15-14(20)13(19)12-10(18)5-9(17)6-11(12)21-15/h1-6,16-18,20H
Standard InCHIKey	IYRMWMYZSQPJKC-UHFFFAOYSA-N
External Identifiers	ChEMBL [CHEMBL150]; PubChem [5280863];
Reference of Component-Ingredient Pair	29162470

Occurrence of the ingredient across TCM components

Component ID	Latin Name	Pinyin Name	Chinese Name
TCMH2595	Rhododendron micranthum	Zhao Shan Bai	照山白
TCMH1860	Helicteres angustifolia	Shan Zhi Ma Gan Jin Gao	山芝麻干浸膏
TCMH1895	Rhodiola sacra	Sheng Di Hong Jing Tian	圣地红景天
TCMH945	Sophora japonica	Huai Zhi	槐枝
TCMH457	Euphorbia humifusa	Di Mian Cao	地绵草
TCMH2630	Citrus aurantium	Zhi Shi	枳实
TCMH382	Allium sativum	Da Suan	大蒜
TCMH177	Polygonum aviculare	Bian Xu	萹蓄
TCMH2506	Ginkgo biloba	Yin Xing Ye	银杏叶
TCMH1835	Kaempferia galanga	Shan Nai	山柰
TCMH63	Lilium brownii	Bai He Liu Jin Gao	百合流浸膏
TCMH143	Albizia julibrissin	Bei He Huan	北合欢
TCMH953	Aconitum vilmorinianum	Huang Cao Wu	黄草乌
TCMH1165	Murraya paniculata	Jiu Li Xiang	九里香
TCMH123	Pteris semipinnata	Ban Bian Qi	半边旗
TCMH103	Thesium chinense	Bai Rui Cao	百蕊草
TCMH2134	Smilax glabra	Tu Fu Ling	土茯苓
TCMH1830	Anisodus tanguticus	Shan Lang Dang	山莨菪
TCMH281	Dipsacus asper	Chuan Duan	川断
TCMH865	Carthamus tinctorius	Hong Hua	红花
TCMH2150	Cuscuta australis	Tu Si Zi Teng	菟丝子藤
TCMH568	Euphorbia hirta	Fei Yang Cao	飞杨草
TCMH733	Desmodium styracifolium	Guang Jin Qian Cao	广金钱草
TCMH921	Polygonum cuspidatum	Hu Zhang	虎杖
TCMH316	Ailanthi cortex	Chun Pi	椿皮
TCMH2445	Cassia angustifolia	Yang Xie	洋泻
TCMH2137	Pogostemon cablin	Tu Huo Xiang	土藿香
TCMH1343	Aloe vera	Lu Hui	芦荟
TCMH873	Radix et rhizoma rhodiolae	Hong Jing Tian	红景天
TCMH561	Senegalia catechu	Fang Er Cha	方儿茶
TCMH2381	Daphne genkwa	Yuan Hua Zhi Tiao	芫花枝条
TCMH2456	Eupatorium lindleyanum	Ye Ma Zhui	野马追
TCMH1162	Sarcandra glabra	Jiu Jie Cha	九节茶
TCMH1212	Melia azedarach	Ku Lian Zi	苦楝子
TCMH571	Paeonia suffruticosa	Fen Dan Pi	粉丹皮
TCMH1435	Psychotria serpens	Man Jiu Jie	蔓九节
TCMH2710	Homo sapiens	Zi He Che	紫河车
TCMH748	Euonymus alatus	Gui Jian Yu	鬼箭羽
TCMH2050	Punica granatum	Suan Shi Liu	酸石榴
TCMH1096	Inula japonica	Jin Fei Cao	金沸草
TCMH409	Salvia miltiorrhiza	Dan Shen Jin Gao	丹参浸膏
TCMH719	Dryopteris crassirhizoma	Guan Zhong	贯众
TCMH1875	Ampelopsis brevipedunculata	She Pu Tao	蛇葡萄
TCMH2462	Crataegus pinnatifida	Ye Shan Zha	野山楂
TCMH526	Eucommia ulmoides	Du Zhong Ye	杜仲叶
TCMH1299	Ganoderma lucidum	Ling Zhi(1)	灵芝
TCMH1319	Gentiana scabra	Long Dan Jin Gao	龙胆浸膏
TCMH428	Codonopsis pilosula	Dang Shen Qing Gao	党参清膏
TCMH1322	Solanum nigrum	Long Kui	龙葵
TCMH1839	Panax ginseng	Shan Shen	山参
TCMH905	Picrorhiza kurrooa	Hu Huang Lian	胡黄连
TCMH1519	Oroxylum indicum	Mu Hu Die	木蝴蝶
TCMH2286	Berberis julianae	Xiao Bo Gen	小檗根
TCMH2728	Aster tataricus	Zi Wan	紫菀
TCMH2129	Eupolyphaga sinensis	Tu Bie Chong	土鳖虫
TCMH2322	Prunus armeniaca	Xing Ren	杏仁
TCMH1393	Verbena officinalis	Ma Bian Cao	马鞭草
TCMH685	Syzygium aromaticum	Gong Ding Xiang	公丁香
TCMH1953	Pyrrosia lingua	Shi Wei	石韦
TCMH1601	Nelumbo nucifera	Ou Pian	藕片
TCMH37	Smilax china	Ba Qia	菝葜
TCMH1798	Morus alba	Sang Zhi	桑枝
TCMH1033	Centella asiatica	Ji Xue Cao	积雪草
TCMH1486	Ephedra sinica	Mi Ma Huang	蜜麻黄
TCMH1854	Crataegi folium	Shan Zha Ye	山楂叶
TCMH2362	Artemisia lactiflora	Ya Jiao Ai	鸭脚艾
TCMH2414	Allium cepa	Yang Cong Tou	洋葱头
TCMH2545	Houttuynia cordata	Yu Xing Cao	鱼腥草
TCMH1277	Alpinia officinarum	Liang Jiang	良姜
TCMH1958	Diospyros kaki	Shi Ye	柿叶
TCMH980	Clausena lansium	Huang Pi Ye	黄皮叶
TCMH1396	Portulaca oleracea	Ma Chi Xian	马齿苋
TCMH1828	Ixeris chinensis	Shan Ku Mai	山苦荬
TCMH1090	Brassica juncea	Jie Zi	芥子
TCMH2452	Chrysanthemum indicum	Ye Ju Hua	野菊花
TCMH1766	Sparganium stoloniferum	San Ling	三棱
TCMH1032	Impatiens balsamina	Ji Xing Zi	急性子
TCMH864	Aster ageratoides	Hong Guan Yao	红管药
TCMH1000	Foeniculum vulgare	Hui Xiang	茴香
TCMH1903	Zingiber officinale	Sheng Jiang	生姜
TCMH1448	Mangifera indica	Mang Guo Ye	芒果叶
TCMH2289	Urena lobata	Xiao Fan Tian Hua	肖梵天花
TCMH538	Oxytropis falcata	E Da Xia	莪大夏
TCMH1483	Tussilago farfara	Mi Kuan Dong Hua	蜜款冬花
TCMH2607	Phyllanthus urinaria	Zhen Zhu Cao	珍珠草
TCMH1535	Equisetum hiemale	Mu Zei	木贼
TCMH1367	Apocynum venetum	Luo Bu Ma	罗布麻
TCMH76	Thlaspi arvense	Bai Jiang Cao	败酱草
TCMH1383	Onobrychis viciifolia	Lv Dou	绿豆
TCMH1466	Rosa rugosa	Mei Gui Hua	玫瑰花
TCMH1247	Geranium wilfordii	Lao Guan Cao	老鹳草
TCMH2558	Rosa chinensis	Yue Ji Hua	月季花
TCMH114	Platycladus orientalis	Bai Ye	柏叶
TCMH1741	Myristica fragrans	Rou Dou Kou	肉豆蔻
TCMH2165	Potentilla chinensis	Wei Ling Cai	委陵菜
TCMH2135	Glycyrrhiza uralensis	Tu Gan Cao	土甘草
TCMH1686	Canarium album	Qing Guo Tan	青果炭
TCMH1437	Rhododendron dauricum	Man Shan Hong	满山红
TCMH1714	Lonicera japonica	Ren Dong Teng	忍冬藤
TCMH79	Sinapis alba	Bai Jie Zi	白芥子
TCMH1317	Gentiana scabra	Long Dan	龙胆
TCMH1561	Arctium lappa	Niu Bang Cao	牛蒡草
TCMH590	Impatiens balsamina	Feng Xian Hua	凤仙花
TCMH591	Impatiens balsamina	Feng Xian Tou Gu Cao	凤仙透骨草
TCMH737	Crataegus pinnatifida	Guang Shan Zha	广山楂
TCMH1848	Crataegus pinnatifida	Shan Zha	山楂
TCMH1849	Crataegus pinnatifida	Shan Zha Chou Gao	山楂稠膏
TCMH1852	Crataegus pinnatifida	Shan Zha Qing Gao	山楂清膏
TCMH1853	Crataegus pinnatifida	Shan Zha Tan	山楂炭
TCMH62	Lilium brownii	Bai He	百合
TCMH1127	Lonicera japonica	Jin Yin Hua	金银花
TCMH1128	Lonicera japonica	Jin Yin Hua Ti Qu Ye	金银花提取液
TCMH426	Codonopsis pilosula	Dang Shen	党参
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
TCMH310	Melia azedarach	Chuan Lian	川楝
TCMH1211	Melia azedarach	Ku Lian Pi	苦楝皮
TCMH315	Psychotria serpens	Chun Gen Teng	春根藤
TCMH938	Sophora japonica	Huai Hua	槐花
TCMH940	Sophora japonica	Huai Jiao	槐角
TCMH941	Sophora japonica	Huai Mi	槐米
TCMH2465	Phyllanthus urinaria	Ye Xia Zhu	叶下珠
TCMH1943	Punica granatum	Shi Liu	石榴
TCMH1944	Punica granatum	Shi Liu Pi	石榴皮
TCMH1945	Punica granatum	Shi Liu Zi	石榴子
TCMH2413	Allium cepa	Yang Cong	洋葱
TCMH672	Alpinia officinarum	Gao Liang Jiang	高良姜
TCMH673	Alpinia officinarum	Gao Liang Jiang You	高良姜油
TCMH1296	Ganoderma lucidum	Ling Zhi Jin Gao	灵芝浸膏
TCMH209	Anisodus tanguticus	Cang Qie Gen	藏茄根
TCMH1792	Morus alba	Sang Pi	桑皮
TCMH1797	Morus alba	Sang Ye	桑叶
TCMH2148	Cuscuta australis	Tu Si Rou	菟丝肉
TCMH2149	Cuscuta australis	Tu Si Zi	菟丝子
TCMH557	Aster tataricus	Fan Hun Cao	返魂草
TCMH939	Aster tataricus	Huai Hun Cao	还魂草
TCMH1490	Aster tataricus	Mi Zi Wan	蜜紫菀
TCMH1721	Panax ginseng	Ren Shen	人参
TCMH1728	Panax ginseng	Ren Shen Ye	人参叶
TCMH221	Sarcandra glabra	Cao Shan Hu Jin Gao	草珊瑚浸膏
TCMH519	Pogostemon cablin	Du Huo Xiang	杜藿香
TCMH728	Pogostemon cablin	Guang Huo Xiang	广藿香
TCMH1008	Pogostemon cablin	Huo Xiang	藿香
TCMH1009	Pogostemon cablin	Huo Xiang Ye	藿香叶
TCMH461	Urena lobata	Di Tao Hua	地桃花
TCMH1927	Diospyros kaki	Shi Di	柿蒂
TCMH60	Ginkgo biloba	Bai Guo	白果
TCMH61	Ginkgo biloba	Bai Guo Ren	白果仁
TCMH560	Cassia angustifolia	Fan Xie Ye	番泻叶
TCMH814	Nelumbo nucifera	He Geng	荷梗
TCMH825	Nelumbo nucifera	He Ye	荷叶
TCMH1275	Nelumbo nucifera	Lian Zi	莲子
TCMH1276	Nelumbo nucifera	Lian Zi Xin	莲子心
TCMH1598	Nelumbo nucifera	Ou	藕
TCMH1599	Nelumbo nucifera	Ou Fen	藕粉
TCMH486	Syzygium aromaticum	Ding Xiang	丁香
TCMH650	Canarium album	Gan Lan	橄榄
TCMH1683	Canarium album	Qing Guo	青果
TCMH1223	Tussilago farfara	Kuan Dong Hua	款冬花
TCMH454	Euphorbia humifusa	Di Jin Cao	地锦草
TCMH407	Salvia miltiorrhiza	Dan Shen	丹参
TCMH408	Salvia miltiorrhiza	Dan Shen Gan Jin Gao	丹参干浸膏
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
TCMH1859	Helicteres angustifolia	Shan Zhi Ma	山芝麻
TCMH253	Citrus aurantium	Cheng Pi	橙皮
TCMH2613	Citrus aurantium	Zhi Geng	枳梗
TCMH2618	Citrus aurantium	Zhi Ke	枳壳
TCMH2619	Citrus aurantium	Zhi Ke Gan Jin Gao	枳壳干浸膏
TCMH2017	Artemisia lactiflora	Si Ji Cai	四季菜
TCMH344	Daphne genkwa	Cu Yuan Hua	醋芫花
TCMH2378	Daphne genkwa	Yuan Hua	芫花
TCMH2379	Daphne genkwa	Yuan Hua Gen	芫花根
TCMH2380	Daphne genkwa	Yuan Hua Tiao	芫花条

Properties

Ingredient ID	Formulae	Name	MW	AlogP	MlogP	XlogP	# HBA	# HBD	PSA	# Rotatable Bond	# Ring	# Heacy Atom	Lipinski RO5 Violation
TCMC143	C42H38O20	(9R)-9-[(9R)-2-Carboxy-4-Hydroxy-10-Oxo-5-[(3R,4S,5S,6R)-3,4,5-Trihydroxy-6-(Hydroxymethyl)Oxan-2-Yl]Oxy-9H-Anthracen-9-Yl]-4-Hydroxy-10-Oxo-5-[(2S,3R,4S,5S,6R)-3,4,5-Trihydroxy-6-(Hydroxymethyl)Oxan-2-Yl]Oxy-9H-Anthracene-2-Carboxylic Acid	862.2	-6.3452	3.88	0.662	16	12	347.96	21	8	62	2
TCMC179	C30H28O8	(Z)-1-[6-[(3-Acetyl-2,4,6-Trihydroxy-5-Methylphenyl)Methyl]-5,7-Dihydroxy-2,2-Dimethylchromen-8-Yl]-3-Phenylprop-2-En-1-One	516.18	-0.4521	3.88	5.124	2	5	144.52	15	4	38	1
TCMC255	C15H12O4	1,8-Dihydroxy-3-Methyl-4A,9A-Dihydroanthracene-9,10-Dione	256.07	-0.4584	2.67	0.487	3	2	74.6	3	3	19	0
TCMC663	C15H10O5	Aloe-Emodin	270.05	-1.8969	2.56	0.284	3	3	94.83	4	3	20	0
TCMC1429	C15H10O6	Kaempferol	286.05	-2.3409	2.45	1.915	2	4	107.22	5	3	21	0
TCMC1889	C16H12O5	Physcion	284.07	-0.858	2.67	1.183	2	2	83.83	5	3	21	0
TCMC3240	C42H38O20	Sennoside A	860.1799936	-7.7008	3.88	-0.3	16	10	353.62	9	8	62	2
TCMC5766	C30H22O8	Aloeemodin Bianthrone	510.1314677	-3.2692	3.88	2.364	4	6	155.52	3	6	38	1
TCMC6748	C42H40O19	Sennoside C	847.208554	-7.2319	3.99	-0.076	15	11	333.72	9	8	61	2
TCMC6749	C42H40O19	Sennoside D	847.208554	-7.2319	3.99	-0.076	15	11	333.72	9	8	61	2

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: Cassia angustifolia 番泻叶

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: TCMC6749

Occurrence of the ingredient across TCM components

Ingredient ID: TCMC6748

Occurrence of the ingredient across TCM components

Ingredient ID: TCMC663

Occurrence of the ingredient across TCM components

Ingredient ID: TCMC5766

Occurrence of the ingredient across TCM components

Ingredient ID: TCMC3240

Occurrence of the ingredient across TCM components

Ingredient ID: TCMC255

Occurrence of the ingredient across TCM components

Ingredient ID: TCMC1889

Occurrence of the ingredient across TCM components

Ingredient ID: TCMC179

Occurrence of the ingredient across TCM components

Ingredient ID: TCMC143

Occurrence of the ingredient across TCM components

Ingredient ID: TCMC1429

Occurrence of the ingredient across TCM components

Properties

Download Data