TCM-ID Component

Description of the Component

Component ID	TCMH2335
Latin Name	Hemerocallis fulva
English Name	Orange daylily
Chinese Pinyin Name	Xuan Cao Gen
中文名	萱草根
TCM Properties
TCM Meridians
Therapeutic Class English
Therapeutic Class Chinese
Functions
Toxicity	NA
Geo-authentic habitats (道地产区)	NA
Reference	Chinese Pharmacopoeia (2015)
Barcode ID	PLCHA178-08
Barcode Source	BOLDSYSTEMS

TCM Prescriptions with the Component

Prescription ID	Prescription English Name	Prescription Chinese Name
TCMF4060	Jian Gan Tablets	健肝片
TCMF5681	Tiao Jing Zhong Zi Pills	调经种子丸

Targeted Human Proteins by the Ingredient of Component

Target ID	Gene Symbol	Target Name	Target Class	Uniprot ID
TCMT1	EHMT2	Histone-lysine N-methyltransferase, H3 lysine-9 specific 3	Transferase	Q96KQ7
TCMT11	HIF1A	Hypoxia-inducible factor 1 alpha	Transcription factor	Q16665
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
TCMT162	UGT1A1	UDP-glucuronosyltransferase 1-1	Transferase	P22309
TCMT17	POLB	DNA polymerase beta	Transferase	P06746
TCMT18	GAA	Lysosomal alpha-glucosidase	Hydrolase	P10253
TCMT191	STAT3	Signal transducer and activator of transcription 3	Transcription factor	P40763
TCMT2	MAPT	Microtubule-associated protein tau	Unclassified	P10636
TCMT213	SLC22A1	Solute carrier family 22 member 1	Transporter	O15245
TCMT214	MGLL	Monoglyceride lipase	Unclassified	Q99685
TCMT22	ALPI	Intestinal alkaline phosphatase	Hydrolase	P09923
TCMT23	ALPL	Alkaline phosphatase, tissue-nonspecific isozyme	Hydrolase	P05186
TCMT248	CXCL8	Interleukin-8	Unclassified	P10145
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
TCMT30	PTGS2	Cyclooxygenase-2	Oxidoreductase	P35354
TCMT301	PTGES	Prostaglandin E synthase	Isomerase	O14684
TCMT33	CYP3A4	Cytochrome P450 3A4	Oxidoreductase	P08684
TCMT42	KMT2A	Histone-lysine N-methyltransferase MLL	Transferase	Q03164
TCMT45	APP	Beta amyloid A4 protein	Unclassified	P05067
TCMT69	THRB	Thyroid hormone receptor beta-1	Nuclear receptor	P10828
TCMT744	ATP1A1	Sodium/potassium-transporting ATPase alpha-1 chain	Unclassified	P05023
TCMT8	KDM4E	Lysine-specific demethylase 4D-like	Oxidoreductase	B2RXH2
TCMT80	MAPK1	MAP kinase ERK2	Kinase	P28482
TCMT81	ALOX12	Arachidonate 12-lipoxygenase	Oxidoreductase	P18054

Targeted Pathogenic Microbes by the Ingredient of Component

Target ID	Target Name
TCMT1462	Streptococcus mutans
TCMT1464	Hepatitis B virus
TCMT1465	Entamoeba histolytica

Ingredient Structrues

Ingredient ID: TCMC912
Formula: C15H10O4

Common Name	Chrysophanol
IUPAC Name	1,8-dihydroxy-3-methylanthracene-9,10-dione
Canonical SMILES	Cc1cc(O)c2c(c1)C(=O)c1c(C2=O)c(O)ccc1
Standard InCHI	InChI=1S/C15H10O4/c1-7-5-9-13(11(17)6-7)15(19)12-8(14(9)18)3-2-4-10(12)16/h2-6,16-17H,1H3
Standard InCHIKey	LQGUBLBATBMXHT-UHFFFAOYSA-N
External Identifiers	ChEMBL [CHEMBL41092]; PubChem [10208];
Reference of Component-Ingredient Pair	29045746

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
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
TCMH1589	Rumex patientia	Niu Xi Xi	牛西西
TCMH1343	Aloe vera	Lu Hui	芦荟
TCMH1923	Acorus tatarinowii	Shi Chang Pu Qing Gao	石菖蒲清膏
TCMH2087	Grangea maderaspatana	Tian Ji Huang	田基黄
TCMH1894	Pinellia ternata	Sheng Ban Xia	生半夏
TCMH2335	Hemerocallis fulva	Xuan Cao Gen	萱草根
TCMH2728	Aster tataricus	Zi Wan	紫菀
TCMH829	Semen pharbitidis	Hei Chou	黑丑
TCMH366	Rheum officinale	Da Huang Liu Jin Gao	大黄流浸膏
TCMH819	Polygonum multiflorum	He Shou Wu	何首乌
TCMH500	Benincasa hispida	Dong Gua Zi	冬瓜子
TCMH1588	Achyranthes bidentata	Niu Xi	牛膝
TCMH1965	Rheum palmatum	Shu Da Huang	熟大黄
TCMH358	Areca catechu	Da Fu Zi	大腹子
TCMH1584	Achyranthes bidentata	Niu Teng	牛藤
TCMH498	Benincasa hispida	Dong Gua Pi	冬瓜皮
TCMH52	Semen pharbitidis	Bai Chou	白丑
TCMH130	Pinellia ternata	Ban Xia	半夏
TCMH131	Pinellia ternata	Ban Xia Qu	半夏曲
TCMH1677	Pinellia ternata	Qing Ban Xia	清半夏
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
TCMH305	Cnidium officinale	Chuan Xiong	川芎
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: TCMC824
Formula: C30H48O3

Common Name	Boswellic Acid
IUPAC Name	(3R,4R,4aR,6aR,6bS,8aR,11R,12S,12aR,14aR,14bR)-3-hydroxy-4,6a,6b,8a,11,12,14b-heptamethyl-2,3,4a,5,6,7,8,9,10,11,12,12a,14,14a-tetradecahydro-1H-picene-4-carboxylic acid
Canonical SMILES	C[C@@H]1CC[C@]2([C@@H]([C@H]1C)C1=CC[C@H]3[C@@]([C@@]1(CC2)C)(C)CC[C@@H]1[C@]3(C)CC[C@H]([C@]1(C)C(=O)O)O)C
Standard InCHI	InChI=1S/C30H48O3/c1-18-10-13-26(3)16-17-28(5)20(24(26)19(18)2)8-9-21-27(4)14-12-23(31)30(7,25(32)33)22(27)11-15-29(21,28)6/h8,18-19,21-24,31H,9-17H2,1-7H3,(H,32,33)/t18-,19+,21-,22-,23-,24+,26-,27-,28-,29-,30-/m1/s1
Standard InCHIKey	NBGQZFQREPIKMG-PONOSELZSA-N
External Identifiers	ChEMBL [CHEMBL267225]; PubChem [168928];
Reference of Component-Ingredient Pair	29316908

Occurrence of the ingredient across TCM components

Component ID	Latin Name	Pinyin Name	Chinese Name
TCMH1753	Boswellia carterii	Ru Xiang	乳香
TCMH2335	Hemerocallis fulva	Xuan Cao Gen	萱草根

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: 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: TCMC203
Formula: C49H76O19

Common Name	[(2R,3R,4S,6S)-6-[(2R,3S,4S,6S)-4-Hydroxy-6-[(2R,3S,4S,6R)-4-Hydroxy-6-[[(3S,5R,8R,9S,10S,13R,14S,17R)-14-Hydroxy-10,13-Dimethyl-17-(5-Oxo-2H-Furan-3-Yl)-1,2,3,4,5,6,7,8,9,11,12,15,16,17-Tetradecahydrocyclopenta[A]Phenanthren-3-Yl]Oxy]-2-Methyloxan-3-Yl]Oxy-2-Methyloxan-3-Yl]Oxy-2-Methyl-3-[(2S,3R,4S,5S,6R)-3,4,5-Trihydroxy-6-(Hydroxymethyl)Oxan-2-Yl]Oxyoxan-4-Yl] Acetate
IUPAC Name	[(2R,3R,4S,6S)-6-[(2R,3S,4S,6S)-4-hydroxy-6-[(2R,3S,4S,6R)-4-hydroxy-6-[[(3S,5R,8R,9S,10S,13R,14S,17R)-14-hydroxy-10,13-dimethyl-17-(5-oxo-2H-furan-3-yl)-1,2,3,4,5,6,7,8,9,11,12,15,16,17-tetradecahydrocyclopenta[a]phenanthren-3-yl]oxy]-2-methyloxan-3-yl]oxy-2-methyloxan-3-yl]oxy-2-methyl-3-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-4-yl] acetate
Canonical SMILES	OC[C@H]1O[C@@H](O[C@@H]2[C@@H](C)O[C@H](C[C@@H]2OC(=O)C)O[C@H]2[C@@H](O)C[C@@H](O[C@@H]2C)O[C@H]2[C@@H](O)C[C@@H](O[C@@H]2C)O[C@H]2CC[C@]3([C@@H](C2)CC[C@@H]2[C@@H]3CC[C@]3([C@]2(O)CC[C@@H]3C2=CC(=O)OC2)C)C)[C@@H]([C@H]([C@@H]1O)O)O
Standard InCHI	InChI=1S/C49H76O19/c1-22-43(66-38-18-33(53)44(23(2)61-38)67-39-19-34(63-25(4)51)45(24(3)62-39)68-46-42(57)41(56)40(55)35(20-50)65-46)32(52)17-37(60-22)64-28-9-12-47(5)27(16-28)7-8-31-30(47)10-13-48(6)29(11-14-49(31,48)58)26-15-36(54)59-21-26/h15,22-24,27-35,37-46,50,52-53,55-58H,7-14,16-21H2,1-6H3/t22-,23-,24-,27-,28+,29-,30+,31-,32+,33+,34+,35-,37+,38+,39+,40-,41+,42-,43-,44-,45-,46+,47+,48-,49+/m1/s1
Standard InCHIKey	YFGQJKBUXPKSAW-YSTAXILLSA-N
External Identifiers	ChEMBL [CHEMBL3391717]; PubChem [10819737];
Reference of Component-Ingredient Pair	N/A

Occurrence of the ingredient across TCM components

Component ID	Latin Name	Pinyin Name	Chinese Name
TCMH2111	Cordyline fruticosa	Tie Shu Ye	铁树叶
TCMH2335	Hemerocallis fulva	Xuan Cao Gen	萱草根

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: TCMC1965
Formula: C21H20O9

Common Name	Puerarin
IUPAC Name	7-hydroxy-3-(4-hydroxyphenyl)-8-[(2S,3R,4R,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]chromen-4-one
Canonical SMILES	OC[C@H]1O[C@H]([C@@H]([C@H]([C@@H]1O)O)O)c1c(O)ccc2c1occ(c2=O)c1ccc(cc1)O
Standard InCHI	InChI=1S/C21H20O9/c22-7-14-17(26)18(27)19(28)21(30-14)15-13(24)6-5-11-16(25)12(8-29-20(11)15)9-1-3-10(23)4-2-9/h1-6,8,14,17-19,21-24,26-28H,7H2/t14-,17-,18+,19-,21+/m1/s1
Standard InCHIKey	HKEAFJYKMMKDOR-VPRICQMDSA-N
External Identifiers	ChEMBL [CHEMBL486386]; PubChem [5281807];
Reference of Component-Ingredient Pair	20706672

Occurrence of the ingredient across TCM components

Component ID	Latin Name	Pinyin Name	Chinese Name
TCMH2407	Bupleurum chinense	Yan Tai Chai Hu	烟台柴胡
TCMH573	Pueraria thomsonii	Fen Ge	粉葛
TCMH679	Pueraria lobata	Ge Hua	葛花
TCMH2335	Hemerocallis fulva	Xuan Cao Gen	萱草根
TCMH388	Ziziphus jujuba	Da Zao	大枣
TCMH1622	Scutellaria baicalensis	Pian Qin	片芩
TCMH986	Scutellaria baicalensis	Huang Qin	黄芩
TCMH989	Scutellaria baicalensis	Huang Qin Jin Gao	黄芩浸膏
TCMH990	Scutellaria baicalensis	Huang Qin Jin Gao Fen	黄芩浸膏粉
TCMH992	Scutellaria baicalensis	Huang Qin Tan	黄芩炭
TCMH228	Bupleurum chinense	Chai Hu	柴胡
TCMH229	Bupleurum chinense	Chai Hu Jin Gao	柴胡浸膏
TCMH230	Bupleurum chinense	Chai Hu Shao	柴胡梢
TCMH644	Pueraria lobata	Gan Ge	干葛
TCMH677	Pueraria lobata	Ge Gen	葛根
TCMH678	Pueraria lobata	Ge Gen Gan Jin Gao	葛根干浸膏

Ingredient ID: TCMC1794
Formula: C7H8O2

Common Name	Orcinol
IUPAC Name	5-methylbenzene-1,3-diol
Canonical SMILES	Cc1cc(O)cc(c1)O
Standard InCHI	InChI=1S/C7H8O2/c1-5-2-6(8)4-7(9)3-5/h2-4,8-9H,1H3
Standard InCHIKey	OIPPWFOQEKKFEE-UHFFFAOYSA-N
External Identifiers	ChEMBL [CHEMBL110059]; PubChem [10436];
Reference of Component-Ingredient Pair	22368400

Occurrence of the ingredient across TCM components

Component ID	Latin Name	Pinyin Name	Chinese Name
TCMH2506	Ginkgo biloba	Yin Xing Ye	银杏叶
TCMH1589	Rumex patientia	Niu Xi Xi	牛西西
TCMH2335	Hemerocallis fulva	Xuan Cao Gen	萱草根
TCMH2256	Curculigo orchioides	Xian Mao	仙茅
TCMH1437	Rhododendron dauricum	Man Shan Hong	满山红
TCMH60	Ginkgo biloba	Bai Guo	白果
TCMH61	Ginkgo biloba	Bai Guo Ren	白果仁

Ingredient ID: TCMC1612
Formula: C22H25NO6

Common Name	N-(1,2,3,10-Tetramethoxy-9-Oxo-6,7-Dihydro-5H-Benzo[A]Heptalen-7-Yl)Acetamide
IUPAC Name	N-(1,2,3,10-tetramethoxy-9-oxo-6,7-dihydro-5H-benzo[a]heptalen-7-yl)acetamide
Canonical SMILES	COc1c(OC)cc2c(c1OC)c1ccc(c(=O)cc1C(CC2)N=C(O)C)OC
Standard InCHI	InChI=1S/C22H25NO6/c1-12(24)23-16-8-6-13-10-19(27-3)21(28-4)22(29-5)20(13)14-7-9-18(26-2)17(25)11-15(14)16/h7,9-11,16H,6,8H2,1-5H3,(H,23,24)
Standard InCHIKey	IAKHMKGGTNLKSZ-UHFFFAOYSA-N
External Identifiers	ChEMBL [CHEMBL87]; PubChem [2833];
Reference of Component-Ingredient Pair	N/A

Occurrence of the ingredient across TCM components

Component ID	Latin Name	Pinyin Name	Chinese Name
TCMH1813	Asarum sagittarioides	Shan Ci Gu	山慈菇
TCMH1260	Veratrum nigrum	Li Lu	藜芦
TCMH2335	Hemerocallis fulva	Xuan Cao Gen	萱草根
TCMH272	Bulbus lilii	Chuan Bai He	川百合
TCMH212	Iphigenia indica	Cao Bei Mu	草贝母

Ingredient ID: TCMC1460
Formula: C49H76O20

Common Name	Lanatoside C
IUPAC Name	[(2R,3R,4S,6S)-6-[(2R,3S,4S,6S)-6-[(2R,3S,4S,6R)-6-[[(3S,5R,8R,9S,10S,12R,13S,14S,17R)-12,14-dihydroxy-10,13-dimethyl-17-(5-oxo-2H-furan-3-yl)-1,2,3,4,5,6,7,8,9,11,12,15,16,17-tetradecahydrocyclopenta[a]phenanthren-3-yl]oxy]-4-hydroxy-2-methyloxan-3-yl]oxy-4-hydroxy-2-methyloxan-3-yl]oxy-2-methyl-3-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-4-yl] acetate
Canonical SMILES	OC[C@H]1O[C@@H](O[C@@H]2[C@@H](C)O[C@H](C[C@@H]2OC(=O)C)O[C@H]2[C@@H](O)C[C@@H](O[C@@H]2C)O[C@H]2[C@@H](O)C[C@@H](O[C@@H]2C)O[C@H]2CC[C@]3([C@@H](C2)CC[C@@H]2[C@@H]3C[C@@H](O)[C@]3([C@]2(O)CC[C@@H]3C2=CC(=O)OC2)C)C)[C@@H]([C@H]([C@@H]1O)O)O
Standard InCHI	InChI=1S/C49H76O20/c1-21-43(67-38-17-32(53)44(22(2)62-38)68-39-18-33(64-24(4)51)45(23(3)63-39)69-46-42(58)41(57)40(56)34(19-50)66-46)31(52)16-37(61-21)65-27-9-11-47(5)26(14-27)7-8-29-30(47)15-35(54)48(6)28(10-12-49(29,48)59)25-13-36(55)60-20-25/h13,21-23,26-35,37-46,50,52-54,56-59H,7-12,14-20H2,1-6H3/t21-,22-,23-,26-,27+,28-,29-,30+,31+,32+,33+,34-,35-,37+,38+,39+,40-,41+,42-,43-,44-,45-,46+,47+,48+,49+/m1/s1
Standard InCHIKey	JAYAGJDXJIDEKI-PTGWOZRBSA-N
External Identifiers	ChEMBL [CHEMBL506569]; PubChem [656630];
Reference of Component-Ingredient Pair	N/A

Occurrence of the ingredient across TCM components

Component ID	Latin Name	Pinyin Name	Chinese Name
TCMH2111	Cordyline fruticosa	Tie Shu Ye	铁树叶
TCMH2335	Hemerocallis fulva	Xuan Cao Gen	萱草根

Ingredient ID: TCMC1253
Formula: C41H64O14

Common Name	Gitoxin
IUPAC Name	3-[(3S,5R,8R,9S,10S,13R,14S,16S,17R)-3-[(2R,4S,5S,6R)-5-[(2S,4S,5S,6R)-5-[(2S,4S,5S,6R)-4,5-dihydroxy-6-methyloxan-2-yl]oxy-4-hydroxy-6-methyloxan-2-yl]oxy-4-hydroxy-6-methyloxan-2-yl]oxy-14,16-dihydroxy-10,13-dimethyl-1,2,3,4,5,6,7,8,9,11,12,15,16,17-tetradecahydrocyclopenta[a]phenanthren-17-yl]-2H-furan-5-one
Canonical SMILES	O=C1OCC(=C1)[C@H]1[C@@H](O)C[C@]2([C@]1(C)CC[C@H]1[C@H]2CC[C@H]2[C@]1(C)CC[C@@H](C2)O[C@H]1C[C@H](O)[C@@H]([C@H](O1)C)O[C@H]1C[C@H](O)[C@@H]([C@H](O1)C)O[C@H]1C[C@H](O)[C@@H]([C@H](O1)C)O)O
Standard InCHI	InChI=1S/C41H64O14/c1-19-36(47)27(42)14-33(50-19)54-38-21(3)52-34(16-29(38)44)55-37-20(2)51-32(15-28(37)43)53-24-8-10-39(4)23(13-24)6-7-26-25(39)9-11-40(5)35(22-12-31(46)49-18-22)30(45)17-41(26,40)48/h12,19-21,23-30,32-38,42-45,47-48H,6-11,13-18H2,1-5H3/t19-,20-,21-,23-,24+,25+,26-,27+,28+,29+,30+,32+,33+,34+,35+,36-,37-,38-,39+,40-,41+/m1/s1
Standard InCHIKey	LKRDZKPBAOKJBT-CNPIRKNPSA-N
External Identifiers	ChEMBL [CHEMBL109317]; PubChem [91540];
Reference of Component-Ingredient Pair	N/A

Occurrence of the ingredient across TCM components

Component ID	Latin Name	Pinyin Name	Chinese Name
TCMH2111	Cordyline fruticosa	Tie Shu Ye	铁树叶
TCMH2335	Hemerocallis fulva	Xuan Cao Gen	萱草根

Ingredient ID: TCMC1043
Formula: C41H64O14

Common Name	Digoxin
IUPAC Name	3-[(3S,5R,8R,9S,10S,12R,13S,14S,17R)-3-[(2R,4S,5S,6R)-5-[(2S,4S,5S,6R)-5-[(2S,4S,5S,6R)-4,5-dihydroxy-6-methyloxan-2-yl]oxy-4-hydroxy-6-methyloxan-2-yl]oxy-4-hydroxy-6-methyloxan-2-yl]oxy-12,14-dihydroxy-10,13-dimethyl-1,2,3,4,5,6,7,8,9,11,12,15,16,17-tetradecahydrocyclopenta[a]phenanthren-17-yl]-2H-furan-5-one
Canonical SMILES	O=C1OCC(=C1)[C@H]1CC[C@]2([C@]1(C)[C@H](O)C[C@H]1[C@H]2CC[C@H]2[C@]1(C)CC[C@@H](C2)O[C@H]1C[C@H](O)[C@@H]([C@H](O1)C)O[C@H]1C[C@H](O)[C@@H]([C@H](O1)C)O[C@H]1C[C@H](O)[C@@H]([C@H](O1)C)O)O
Standard InCHI	InChI=1S/C41H64O14/c1-19-36(47)28(42)15-34(50-19)54-38-21(3)52-35(17-30(38)44)55-37-20(2)51-33(16-29(37)43)53-24-8-10-39(4)23(13-24)6-7-26-27(39)14-31(45)40(5)25(9-11-41(26,40)48)22-12-32(46)49-18-22/h12,19-21,23-31,33-38,42-45,47-48H,6-11,13-18H2,1-5H3/t19-,20-,21-,23-,24+,25-,26-,27+,28+,29+,30+,31-,33+,34+,35+,36-,37-,38-,39+,40+,41+/m1/s1
Standard InCHIKey	LTMHDMANZUZIPE-PUGKRICDSA-N
External Identifiers	ChEMBL [CHEMBL1751]; PubChem [2724385];
Reference of Component-Ingredient Pair	N/A

Occurrence of the ingredient across TCM components

Component ID	Latin Name	Pinyin Name	Chinese Name
TCMH2111	Cordyline fruticosa	Tie Shu Ye	铁树叶
TCMH2710	Homo sapiens	Zi He Che	紫河车
TCMH2335	Hemerocallis fulva	Xuan Cao Gen	萱草根
TCMH1734	Homo sapiens	Ren Zhong Bai	人中白

Ingredient ID: TCMC1042
Formula: C41H64O13

Common Name	Digitoxin
IUPAC Name	3-[(3S,5R,8R,9S,10S,13R,14S,17R)-3-[(2R,4S,5S,6R)-5-[(2S,4S,5S,6R)-5-[(2S,4S,5S,6R)-4,5-dihydroxy-6-methyloxan-2-yl]oxy-4-hydroxy-6-methyloxan-2-yl]oxy-4-hydroxy-6-methyloxan-2-yl]oxy-14-hydroxy-10,13-dimethyl-1,2,3,4,5,6,7,8,9,11,12,15,16,17-tetradecahydrocyclopenta[a]phenanthren-17-yl]-2H-furan-5-one
Canonical SMILES	O=C1OCC(=C1)[C@H]1CC[C@]2([C@]1(C)CC[C@H]1[C@H]2CC[C@H]2[C@]1(C)CC[C@@H](C2)O[C@H]1C[C@H](O)[C@@H]([C@H](O1)C)O[C@H]1C[C@H](O)[C@@H]([C@H](O1)C)O[C@H]1C[C@H](O)[C@@H]([C@H](O1)C)O)O
Standard InCHI	InChI=1S/C41H64O13/c1-20-36(46)29(42)16-34(49-20)53-38-22(3)51-35(18-31(38)44)54-37-21(2)50-33(17-30(37)43)52-25-8-11-39(4)24(15-25)6-7-28-27(39)9-12-40(5)26(10-13-41(28,40)47)23-14-32(45)48-19-23/h14,20-22,24-31,33-38,42-44,46-47H,6-13,15-19H2,1-5H3/t20-,21-,22-,24-,25+,26-,27+,28-,29+,30+,31+,33+,34+,35+,36-,37-,38-,39+,40-,41+/m1/s1
Standard InCHIKey	WDJUZGPOPHTGOT-XUDUSOBPSA-N
External Identifiers	ChEMBL [CHEMBL254219]; PubChem [441207];
Reference of Component-Ingredient Pair	N/A

Occurrence of the ingredient across TCM components

Component ID	Latin Name	Pinyin Name	Chinese Name
TCMH2111	Cordyline fruticosa	Tie Shu Ye	铁树叶
TCMH2335	Hemerocallis fulva	Xuan Cao Gen	萱草根

Ingredient ID: TCMC1018
Formula: C47H74O19

Common Name	Deslanoside
IUPAC Name	3-[(3S,5R,8R,9S,10S,12R,13S,14S,17R)-12,14-dihydroxy-3-[(2R,4S,5S,6R)-4-hydroxy-5-[(2S,4S,5S,6R)-4-hydroxy-5-[(2S,4S,5S,6R)-4-hydroxy-6-methyl-5-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-6-methyloxan-2-yl]oxy-6-methyloxan-2-yl]oxy-10,13-dimethyl-1,2,3,4,5,6,7,8,9,11,12,15,16,17-tetradecahydrocyclopenta[a]phenanthren-17-yl]-2H-furan-5-one
Canonical SMILES	OC[C@H]1O[C@@H](O[C@H]2[C@@H](O)C[C@@H](O[C@@H]2C)O[C@H]2[C@@H](O)C[C@@H](O[C@@H]2C)O[C@H]2[C@@H](O)C[C@@H](O[C@@H]2C)O[C@H]2CC[C@]3([C@@H](C2)CC[C@@H]2[C@@H]3C[C@@H](O)[C@]3([C@]2(O)CC[C@@H]3C2=CC(=O)OC2)C)C)[C@@H]([C@H]([C@@H]1O)O)O
Standard InCHI	InChI=1S/C47H74O19/c1-20-41(64-36-16-30(50)42(21(2)60-36)65-37-17-31(51)43(22(3)61-37)66-44-40(56)39(55)38(54)32(18-48)63-44)29(49)15-35(59-20)62-25-8-10-45(4)24(13-25)6-7-27-28(45)14-33(52)46(5)26(9-11-47(27,46)57)23-12-34(53)58-19-23/h12,20-22,24-33,35-44,48-52,54-57H,6-11,13-19H2,1-5H3/t20-,21-,22-,24-,25+,26-,27-,28+,29+,30+,31+,32-,33-,35+,36+,37+,38-,39+,40-,41-,42-,43-,44+,45+,46+,47+/m1/s1
Standard InCHIKey	OBATZBGFDSVCJD-LALPQLPRSA-N
External Identifiers	ChEMBL [CHEMBL1614]; PubChem [28620];
Reference of Component-Ingredient Pair	N/A

Occurrence of the ingredient across TCM components

Component ID	Latin Name	Pinyin Name	Chinese Name
TCMH2111	Cordyline fruticosa	Tie Shu Ye	铁树叶
TCMH2335	Hemerocallis fulva	Xuan Cao Gen	萱草根

Properties

Ingredient ID	Formulae	Name	MW	AlogP	MlogP	XlogP	# HBA	# HBD	PSA	# Rotatable Bond	# Ring	# Heacy Atom	Lipinski RO5 Violation
TCMC203	C49H76O19	[(2R,3R,4S,6S)-6-[(2R,3S,4S,6S)-4-Hydroxy-6-[(2R,3S,4S,6R)-4-Hydroxy-6-[[(3S,5R,8R,9S,10S,13R,14S,17R)-14-Hydroxy-10,13-Dimethyl-17-(5-Oxo-2H-Furan-3-Yl)-1,2,3,4,5,6,7,8,9,11,12,15,16,17-Tetradecahydrocyclopenta[A]Phenanthren-3-Yl]Oxy]-2-Methyloxan-3-Yl]Oxy-2-Methyloxan-3-Yl]Oxy-2-Methyl-3-[(2S,3R,4S,5S,6R)-3,4,5-Trihydroxy-6-(Hydroxymethyl)Oxan-2-Yl]Oxyoxan-4-Yl] Acetate	968.5	-4.4729	4.76	2.618	19	7	268.05	25	9	68	3
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
TCMC824	C30H48O3	Boswellic Acid	456.36	1.4838	4.43	10.438	3	2	57.53	10	5	33	1
TCMC912	C15H10O4	Chrysophanol	254.06	-0.8062	2.67	1.627	2	2	74.6	3	3	19	0
TCMC1018	C47H74O19	Deslanoside	942.48	-5.4251	4.54	0.637	19	9	282.21	24	9	66	2
TCMC1042	C41H64O13	Digitoxin	764.43	-3.1051	4.54	3.415	13	5	182.83	17	8	54	1
TCMC1043	C41H64O14	Digoxin	780.43	-3.6782	4.43	2.174	14	6	203.06	18	8	55	2
TCMC1253	C41H64O14	Gitoxin	780.43	-3.8714	4.43	2.385	14	6	203.06	18	8	55	2
TCMC1460	C49H76O20	Lanatoside C	984.49	-5.046	4.65	1.377	20	8	288.28	26	9	69	3
TCMC1612	C22H25NO6	N-(1,2,3,10-Tetramethoxy-9-Oxo-6,7-Dihydro-5H-Benzo[A]Heptalen-7-Yl)Acetamide	399.17	-0.4721	3.11	1.463	4	1	86.58	11	3	29	0
TCMC1794	C7H8O2	Orcinol	124.05	-0.2786	2.01	1.193	0	2	40.46	3	1	9	0
TCMC1965	C21H20O9	Puerarin	416.11	-3.823	2.78	0.4	6	6	156.91	9	4	30	1
TCMC2014	C15H8O6	Rhein	284.03	-1.688	2.45	0.541	4	3	111.9	4	3	21	0

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Data Section	Select to Download
1. General Information of the Component
2. TCM Prescriptions with the Component
3. Putative Targets
4. Activity & References for Filtering Putative Targets
5. Ingredient Data & Chemical Structure Information (Properties, InChI, InChIkey, SMILES, etc.)

Component: Hemerocallis fulva 萱草根

Description of the Component

Component ID

Latin Name

English Name

Chinese Pinyin Name

中文名

TCM Properties

TCM Meridians

Therapeutic Class English

Therapeutic Class Chinese

Functions

Toxicity

Geo-authentic habitats (道地产区)

Reference

Barcode ID

Barcode Source

TCM Prescriptions with the Component

Targeted Human Proteins by the Ingredient of Component

Targeted Pathogenic Microbes by the Ingredient of Component

Ingredient Structrues

Ingredient ID: TCMC912

Occurrence of the ingredient across TCM components

Ingredient ID: TCMC824

Occurrence of the ingredient across TCM components

Ingredient ID: TCMC663

Occurrence of the ingredient across TCM components

Ingredient ID: TCMC255

Occurrence of the ingredient across TCM components

Ingredient ID: TCMC203

Occurrence of the ingredient across TCM components

Ingredient ID: TCMC2014

Occurrence of the ingredient across TCM components

Ingredient ID: TCMC1965

Occurrence of the ingredient across TCM components

Ingredient ID: TCMC1794

Occurrence of the ingredient across TCM components

Ingredient ID: TCMC1612

Occurrence of the ingredient across TCM components

Ingredient ID: TCMC1460

Occurrence of the ingredient across TCM components

Ingredient ID: TCMC1253

Occurrence of the ingredient across TCM components

Ingredient ID: TCMC1043

Occurrence of the ingredient across TCM components

Ingredient ID: TCMC1042

Occurrence of the ingredient across TCM components

Ingredient ID: TCMC1018

Occurrence of the ingredient across TCM components

Properties

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