TCM-ID Component

Description of the Component

Component ID	TCMH438
Latin Name	Juncus effusus
English Name	Common rush
Chinese Pinyin Name	Deng Xin Cao
中文名	灯心草
TCM Properties	Minor cold,Sweet,Neutral
TCM Meridians	Lung,Small Intestine,Heart
Therapeutic Class English	For promoting diuresis and penetrating dampness
Therapeutic Class Chinese	利水渗湿
Functions	eliminate excess fire in the heart, and induce diuresis
Toxicity	NA
Geo-authentic habitats (道地产区)	Jiangsu Province,Shanghai
Reference	Chinese Pharmacopoeia (2015)
Barcode ID	ITSAD4376-14
Barcode Source	BOLDSYSTEMS

TCM Prescriptions with the Component

Prescription ID	Prescription English Name	Prescription Chinese Name
TCMF7309	Ba Zheng Powder	八正散
TCMF229	Ba Zheng Recipe	八正合剂
TCMF2993	Ba Zheng Recipe	八正合剂
TCMF7090	Bai Le Mian Capsules	百乐眠胶囊
TCMF7313	Dao Shui Fu Ling Decoction	导水茯苓汤
TCMFx2249	Decoction for Clearing Away Lung Heat	清肺饮子
TCMF2486	Decoction for Purging Liver Fire and Eliminating Dampness	清肝渗湿汤
TCMF2479	Decoction of Poria for Eliminating Fluid	导水茯苓汤
TCMF2101	Eight Health Restoring Powder	八珍散
TCMF2668	Eight-Herb Powder for Rectification	八正散
TCMF2726	Five Ingredient Powder for Painful Urinary Dysfunction	五淋散
TCMF2436	Ge Gen Muscle-Relieving Decoction	葛根解肌汤
TCMF2438	Heat Clearing and Spirit Calming Decoction	清热镇惊汤
TCMF2124	Powder of Eight Ingredients to Clear Heat and Dampness	八正散
TCMF7424	Qing Liang Powder	清凉散
TCMFx5421	Sha Qi Powder	痧气散
TCMFx5913	Tong Qiao Powder	通窍散
TCMF2522	Weiling Decoction for Eliminating Dampness	除湿胃苓汤
TCMFx5192	Wo Long Powder	卧龙散
TCMF7312	Wu Lin Powder	五淋散
TCMF276	Xiao Er Qing Re Tablet	小儿清热片
TCMF6304	Xiao Er Qing Re Tablets	小儿清热片
TCMFx6189	Zhen Zhu Niu Huang Powder	珍珠牛黄散

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
TCMT150	RORC	Nuclear receptor ROR-gamma	Nuclear receptor	P51449
TCMT164	PTGS1	Cyclooxygenase-1	Oxidoreductase	P23219
TCMT2	MAPT	Microtubule-associated protein tau	Unclassified	P10636
TCMT213	SLC22A1	Solute carrier family 22 member 1	Transporter	O15245
TCMT214	MGLL	Monoglyceride lipase	Unclassified	Q99685
TCMT236	ESR2	Estrogen receptor beta	Nuclear receptor	Q92731
TCMT248	CXCL8	Interleukin-8	Unclassified	P10145
TCMT3	ALOX15	Arachidonate 15-lipoxygenase	Oxidoreductase	P16050
TCMT30	PTGS2	Cyclooxygenase-2	Oxidoreductase	P35354
TCMT307	KCNH2	HERG	Ion channel	Q12809
TCMT33	CYP3A4	Cytochrome P450 3A4	Oxidoreductase	P08684
TCMT334	EBP	3-beta-hydroxysteroid-delta(8),delta(7)-isomerase	Isomerase	Q15125
TCMT336	IDO1	Indoleamine 2,3-dioxygenase	Oxidoreductase	P14902
TCMT41	IDH1	Isocitrate dehydrogenase [NADP] cytoplasmic	Oxidoreductase	O75874
TCMT434	JAK2	Tyrosine-protein kinase JAK2	Kinase	O60674
TCMT559	ADRB2	Beta-2 adrenergic receptor	GPCR	P07550
TCMT6	NFKB1	Nuclear factor NF-kappa-B p105 subunit	Transcription factor	P19838
TCMT8	KDM4E	Lysine-specific demethylase 4D-like	Oxidoreductase	B2RXH2
TCMT80	MAPK1	MAP kinase ERK2	Kinase	P28482
TCMT81	ALOX12	Arachidonate 12-lipoxygenase	Oxidoreductase	P18054
TCMT82	ESR1	Estrogen receptor alpha	Nuclear receptor	P03372
TCMT881	BBOX1	Gamma-butyrobetaine dioxygenase	Oxidoreductase	O75936

Targeted Pathogenic Microbes by the Ingredient of Component

Target ID	Target Name
TCMT1218	Staphylococcus aureus
TCMT1251	Candida albicans
TCMT1438	Plasmodium falciparum
TCMT1439	Mycobacterium smegmatis
TCMT1455	Mycobacterium tuberculosis H37Rv
TCMT1458	Filobasidiella neoformans

Ingredient Structrues

Ingredient ID: TCMC877
Formula: C15H22O10

Common Name	Catalpol
IUPAC Name	(2S,3R,4S,5S,6R)-2-[[(1aS,1bS,2S,5aR,6S,6aS)-6-hydroxy-1a-(hydroxymethyl)-2,5a,6,6a-tetrahydro-1bH-oxireno[5,6]cyclopenta[1,3-c]pyran-2-yl]oxy]-6-(hydroxymethyl)oxane-3,4,5-triol
Canonical SMILES	OC[C@H]1O[C@@H](O[C@@H]2OC=C[C@@H]3[C@H]2[C@@]2(CO)O[C@H]2[C@H]3O)[C@@H]([C@H]([C@@H]1O)O)O
Standard InCHI	InChI=1S/C15H22O10/c16-3-6-9(19)10(20)11(21)14(23-6)24-13-7-5(1-2-22-13)8(18)12-15(7,4-17)25-12/h1-2,5-14,16-21H,3-4H2/t5-,6-,7-,8+,9-,10+,11-,12+,13+,14+,15-/m1/s1
Standard InCHIKey	LHDWRKICQLTVDL-PZYDOOQISA-N
External Identifiers	ChEMBL [CHEMBL513223]; PubChem [91520];
Reference of Component-Ingredient Pair	N/A

Occurrence of the ingredient across TCM components

Component ID	Latin Name	Pinyin Name	Chinese Name
TCMH241	Plantago asiatica	Che Qian Zi	车前子
TCMH438	Juncus effusus	Deng Xin Cao	灯心草
TCMH526	Eucommia ulmoides	Du Zhong Ye	杜仲叶
TCMH240	Plantago depressa	Che Qian Cao	车前草
TCMH1966	Rehmannia glutinosa	Shu Di Huang	熟地黄
TCMH278	Juncus effusus	Chuan Deng Xin Cao	川灯心草
TCMH524	Eucommia ulmoides	Du Zhong	杜仲
TCMH525	Eucommia ulmoides	Du Zhong Tan	杜仲炭
TCMH8	Rehmannia glutinosa	Ai Di Huang	矮地黄
TCMH451	Rehmannia glutinosa	Di Huang	地黄
TCMH453	Rehmannia glutinosa	Di Huang Tan	地黄炭
TCMH643	Rehmannia glutinosa	Gan Di Huang	干地黄

Ingredient ID: TCMC747
Formula: C15H22O9

Common Name	Aucubin
IUPAC Name	(2S,3R,4S,5S,6R)-2-[[(1S,4aR,5S,7aS)-5-hydroxy-7-(hydroxymethyl)-1,4a,5,7a-tetrahydrocyclopenta[c]pyran-1-yl]oxy]-6-(hydroxymethyl)oxane-3,4,5-triol
Canonical SMILES	OCC1=C[C@H]([C@H]2[C@@H]1[C@@H](OC=C2)O[C@@H]1O[C@H](CO)[C@H]([C@@H]([C@H]1O)O)O)O
Standard InCHI	InChI=1S/C15H22O9/c16-4-6-3-8(18)7-1-2-22-14(10(6)7)24-15-13(21)12(20)11(19)9(5-17)23-15/h1-3,7-21H,4-5H2/t7-,8+,9+,10+,11+,12-,13+,14-,15-/m0/s1
Standard InCHIKey	RJWJHRPNHPHBRN-FKVJWERZSA-N
External Identifiers	ChEMBL [CHEMBL514882]; PubChem [91458];
Reference of Component-Ingredient Pair	22701291

Occurrence of the ingredient across TCM components

Component ID	Latin Name	Pinyin Name	Chinese Name
TCMH241	Plantago asiatica	Che Qian Zi	车前子
TCMH438	Juncus effusus	Deng Xin Cao	灯心草
TCMH526	Eucommia ulmoides	Du Zhong Ye	杜仲叶
TCMH240	Plantago depressa	Che Qian Cao	车前草
TCMH1393	Verbena officinalis	Ma Bian Cao	马鞭草
TCMH2429	Bletilla striata	Yang Jiao Qi	羊角七
TCMH1966	Rehmannia glutinosa	Shu Di Huang	熟地黄
TCMH970	Vitex negundo	Huang Jing Zi	黄荆子
TCMH2553	Scrophularia ningpoensis	Yuan Shen	元参
TCMH72	Bletilla striata	Bai Ji	白芨
TCMH278	Juncus effusus	Chuan Deng Xin Cao	川灯心草
TCMH524	Eucommia ulmoides	Du Zhong	杜仲
TCMH525	Eucommia ulmoides	Du Zhong Tan	杜仲炭
TCMH8	Rehmannia glutinosa	Ai Di Huang	矮地黄
TCMH451	Rehmannia glutinosa	Di Huang	地黄
TCMH453	Rehmannia glutinosa	Di Huang Tan	地黄炭
TCMH643	Rehmannia glutinosa	Gan Di Huang	干地黄
TCMH2343	Scrophularia ningpoensis	Xuan Shen	玄参

Ingredient ID: TCMC6963
Formula: C18H16O3

Common Name	2-Hydroxy-7-Carboxy-1-Methyl-5-Ethenyl-9,10-Dihydrophenanthrene
IUPAC Name	4-ethenyl-7-hydroxy-8-methyl-9,10-dihydrophenanthrene-2-carboxylic acid
Canonical SMILES	C=Cc1cc(cc2c1c1ccc(c(c1CC2)C)O)C(=O)[O-]
Standard InCHI	InChI=1S/C18H16O3/c1-3-11-8-13(18(20)21)9-12-4-5-14-10(2)16(19)7-6-15(14)17(11)12/h3,6-9,19H,1,4-5H2,2H3,(H,20,21)/p-1
Standard InCHIKey	VYUORFXKOFIHIH-UHFFFAOYSA-M
External Identifiers	ChEMBL [N/A]; PubChem [91099236];
Reference of Component-Ingredient Pair	22017742

Occurrence of the ingredient across TCM components

Component ID	Latin Name	Pinyin Name	Chinese Name
TCMH438	Juncus effusus	Deng Xin Cao	灯心草

Ingredient ID: TCMC6948
Formula: C18H18O

Common Name	Juncunol
IUPAC Name	7-ethenyl-1,6-dimethyl-9,10-dihydrophenanthren-2-ol
Canonical SMILES	C=Cc1cc2CCc3c(c2cc1C)ccc(c3C)O
Standard InCHI	InChI=1S/C18H18O/c1-4-13-10-14-5-6-15-12(3)18(19)8-7-16(15)17(14)9-11(13)2/h4,7-10,19H,1,5-6H2,2-3H3
Standard InCHIKey	NJPVIGLWQLAGIV-UHFFFAOYSA-N
External Identifiers	ChEMBL [N/A]; PubChem [85926875];
Reference of Component-Ingredient Pair	24727393

Occurrence of the ingredient across TCM components

Component ID	Latin Name	Pinyin Name	Chinese Name
TCMH438	Juncus effusus	Deng Xin Cao	灯心草

Ingredient ID: TCMC6059
Formula: C12H14O5

Common Name	Mono-P-Coumaroyl Glyceride
IUPAC Name	[(2S)-2,3-dihydroxypropyl] (E)-3-(4-hydroxyphenyl)prop-2-enoate
Canonical SMILES	OC[C@@H](COC(=O)/C=C/c1ccc(cc1)O)O
Standard InCHI	InChI=1S/C12H14O5/c13-7-11(15)8-17-12(16)6-3-9-1-4-10(14)5-2-9/h1-6,11,13-15H,7-8H2/b6-3+/t11-/m0/s1
Standard InCHIKey	YUQSZTOOHLGKGG-GQOHGMTASA-N
External Identifiers	ChEMBL [N/A]; PubChem [13965854];
Reference of Component-Ingredient Pair	N/A

Occurrence of the ingredient across TCM components

Component ID	Latin Name	Pinyin Name	Chinese Name
TCMH438	Juncus effusus	Deng Xin Cao	灯心草

Ingredient ID: TCMC5871
Formula: C10H16O

Common Name	P-Menth-4-En-3-One
IUPAC Name	(5S)-5-methyl-2-propan-2-ylcyclohex-2-en-1-one
Canonical SMILES	C[C@H]1CC=C(C(=O)C1)C(C)C
Standard InCHI	InChI=1S/C10H16O/c1-7(2)9-5-4-8(3)6-10(9)11/h5,7-8H,4,6H2,1-3H3/t8-/m0/s1
Standard InCHIKey	OAYBZGPDRAMDNF-QMMMGPOBSA-N
External Identifiers	ChEMBL [N/A]; PubChem [12088058];
Reference of Component-Ingredient Pair	N/A

Occurrence of the ingredient across TCM components

Component ID	Latin Name	Pinyin Name	Chinese Name
TCMH438	Juncus effusus	Deng Xin Cao	灯心草
TCMH1753	Boswellia carterii	Ru Xiang	乳香

Ingredient ID: TCMC542
Formula: C20H20O8

Common Name	5-Demethylnobiletin
IUPAC Name	2-(3,4-dimethoxyphenyl)-5-hydroxy-6,7,8-trimethoxychromen-4-one
Canonical SMILES	COc1cc(ccc1OC)c1cc(=O)c2c(o1)c(OC)c(c(c2O)OC)OC
Standard InCHI	InChI=1S/C20H20O8/c1-23-12-7-6-10(8-14(12)24-2)13-9-11(21)15-16(22)18(25-3)20(27-5)19(26-4)17(15)28-13/h6-9,22H,1-5H3
Standard InCHIKey	DOFJNFPSMUCECH-UHFFFAOYSA-N
External Identifiers	ChEMBL [CHEMBL75978]; PubChem [358832];
Reference of Component-Ingredient Pair	N/A

Occurrence of the ingredient across TCM components

Component ID	Latin Name	Pinyin Name	Chinese Name
TCMH2630	Citrus aurantium	Zhi Shi	枳实
TCMH1165	Murraya paniculata	Jiu Li Xiang	九里香
TCMH2201	Securidaca inappendiculata	Wu Wei Teng	五味藤
TCMH438	Juncus effusus	Deng Xin Cao	灯心草
TCMH1184	Citrus reticulata	Ju Pi	橘皮
TCMH278	Juncus effusus	Chuan Deng Xin Cao	川灯心草
TCMH1178	Citrus reticulata	Ju He	橘核
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

Ingredient ID: TCMC5280
Formula: C18H16O3

Common Name	2-Hydroxy-8-Carboxy-1-Methyl-5-Ethenyl-9,10-Dihydrophenanthrene
IUPAC Name	4-ethenyl-7-hydroxy-8-methyl-9,10-dihydrophenanthrene-1-carboxylic acid
Canonical SMILES	C=Cc1ccc(c2c1c1ccc(c(c1CC2)C)O)C(=O)[O-]
Standard InCHI	InChI=1S/C18H16O3/c1-3-11-4-5-15(18(20)21)14-7-6-12-10(2)16(19)9-8-13(12)17(11)14/h3-5,8-9,19H,1,6-7H2,2H3,(H,20,21)/p-1
Standard InCHIKey	ANNWAJFLVFSWGC-UHFFFAOYSA-M
External Identifiers	ChEMBL [N/A]; PubChem [9993796];
Reference of Component-Ingredient Pair	22017742

Occurrence of the ingredient across TCM components

Component ID	Latin Name	Pinyin Name	Chinese Name
TCMH438	Juncus effusus	Deng Xin Cao	灯心草

Ingredient ID: TCMC495
Formula: C7H6O2

Common Name	4-Hydroxybenzaldehyde
IUPAC Name	4-hydroxybenzaldehyde
Canonical SMILES	O=Cc1ccc(cc1)O
Standard InCHI	InChI=1S/C7H6O2/c8-5-6-1-3-7(9)4-2-6/h1-5,9H
Standard InCHIKey	RGHHSNMVTDWUBI-UHFFFAOYSA-N
External Identifiers	ChEMBL [CHEMBL14193]; PubChem [126];
Reference of Component-Ingredient Pair	23266278

Occurrence of the ingredient across TCM components

Component ID	Latin Name	Pinyin Name	Chinese Name
TCMH611	Rubus idaeus	Fu Pen Zi	覆盆子
TCMH600	Euonymus fortunei	Fu Fang Teng	扶芳藤
TCMH2298	Cirsium arvense	Xiao Ji Tan	小蓟炭
TCMH271	Clerodendrum trichotomum	Chou Wu Tong Ye	臭梧桐叶
TCMH143	Albizia julibrissin	Bei He Huan	北合欢
TCMH123	Pteris semipinnata	Ban Bian Qi	半边旗
TCMH2513	Rhododendron mucronulatum	Ying Shan Hong	映山红
TCMH865	Carthamus tinctorius	Hong Hua	红花
TCMH438	Juncus effusus	Deng Xin Cao	灯心草
TCMH1498	Ranunculus ternatus	Mao Zhao Cao	猫爪草
TCMH25	Styrax benzoin	An Xi Xiang	安息香
TCMH2515	Papaver somniferum	Ying Su Ke	罂粟壳
TCMH1923	Acorus tatarinowii	Shi Chang Pu Qing Gao	石菖蒲清膏
TCMH213	Boschniakia rossica	Cao Cong Rong	草苁蓉
TCMH2710	Homo sapiens	Zi He Che	紫河车
TCMH207	Fructus xanthii sibirici	Cang Er Zi Jin Gao Fen	苍耳子浸膏粉
TCMH860	Fructus galangae	Hong Dou Kou	红豆蔻
TCMH2090	Gastrodia elata	Tian Ma	天麻
TCMH2360	Brucea javanica	Ya Dan Zi	鸦胆子
TCMH193	Psoralea corylifolia	Bu Gu Zhi	补骨脂
TCMH2429	Bletilla striata	Yang Jiao Qi	羊角七
TCMH2195	Zaocys	Wu Shao She	乌梢蛇
TCMH1117	Rhizoma fagopyri cymosi	Jin Qiao Mai	金荞麦
TCMH970	Vitex negundo	Huang Jing Zi	黄荆子
TCMH1766	Sparganium stoloniferum	San Ling	三棱
TCMH1903	Zingiber officinale	Sheng Jiang	生姜
TCMH2356	Daemonorops draco	Xue Xie	血蝎
TCMH1535	Equisetum hiemale	Mu Zei	木贼
TCMH1339	Phragmites communis	Lu Gen	芦根
TCMH1706	Dianthus superbus	Qu Mai	瞿麦
TCMH132	Scutellaria barbata	Ban Zhi Lian	半枝莲
TCMH2267	Periploca sepium	Xiang Jia Pi	香加皮
TCMH1305	Laggera alata	Liu Ling Ju	六棱菊
TCMH1714	Lonicera japonica	Ren Dong Teng	忍冬藤
TCMH2069	Aconitum tanguticum	Tang Gu Te Wu Tou	唐古特乌头
TCMH2509	Epimedium brevicornum	Yin Yang Huo Jin Gao	淫羊藿浸膏
TCMH1086	Sambucus williamsii	Jie Gu Mu	接骨木
TCMH72	Bletilla striata	Bai Ji	白芨
TCMH278	Juncus effusus	Chuan Deng Xin Cao	川灯心草
TCMH1127	Lonicera japonica	Jin Yin Hua	金银花
TCMH1128	Lonicera japonica	Jin Yin Hua Ti Qu Ye	金银花提取液
TCMH1734	Homo sapiens	Ren Zhong Bai	人中白
TCMH270	Clerodendrum trichotomum	Chou Wu Tong	臭梧桐
TCMH206	Fructus xanthii sibirici	Cang Er Zi	苍耳子
TCMH2507	Epimedium brevicornum	Yin Yang Huo	淫羊藿
TCMH2508	Epimedium brevicornum	Yin Yang Huo Gan Gao Fen	淫羊藿干膏粉
TCMH1920	Acorus tatarinowii	Shi Chang Pu	石菖蒲
TCMH1922	Acorus tatarinowii	Shi Chang Pu Jin Gao	石菖蒲浸膏
TCMH1489	Papaver somniferum	Mi Ying Su Ke	蜜罂粟壳
TCMH2514	Papaver somniferum	Ying Su	罂粟

Ingredient ID: TCMC4184
Formula: C18H36O

Common Name	Hexahydrofarnesyl Acetone
IUPAC Name	(6S,10S)-6,10,14-trimethylpentadecan-2-one
Canonical SMILES	C[C@@H](CCCC(C)C)CCC[C@@H](CCCC(=O)C)C
Standard InCHI	InChI=1S/C18H36O/c1-15(2)9-6-10-16(3)11-7-12-17(4)13-8-14-18(5)19/h15-17H,6-14H2,1-5H3/t16-,17-/m0/s1
Standard InCHIKey	WHWDWIHXSPCOKZ-IRXDYDNUSA-N
External Identifiers	ChEMBL [N/A]; PubChem [1810797];
Reference of Component-Ingredient Pair	US9458076

Occurrence of the ingredient across TCM components

Component ID	Latin Name	Pinyin Name	Chinese Name
TCMH12	Artemisia argyi	Ai Ye	艾叶
TCMH438	Juncus effusus	Deng Xin Cao	灯心草
TCMH1503	Eclipta prostrata	Mo Han Lian	墨旱莲

Ingredient ID: TCMC3043
Formula: C13H26O

Common Name	2-Tridecanone
IUPAC Name	tridecan-2-one
Canonical SMILES	CCCCCCCCCCCC(=O)C
Standard InCHI	InChI=1S/C13H26O/c1-3-4-5-6-7-8-9-10-11-12-13(2)14/h3-12H2,1-2H3
Standard InCHIKey	CYIFVRUOHKNECG-UHFFFAOYSA-N
External Identifiers	ChEMBL [CHEMBL480097]; PubChem [11622];
Reference of Component-Ingredient Pair	22477025

Occurrence of the ingredient across TCM components

Component ID	Latin Name	Pinyin Name	Chinese Name
TCMH438	Juncus effusus	Deng Xin Cao	灯心草
TCMH1466	Rosa rugosa	Mei Gui Hua	玫瑰花

Ingredient ID: TCMC2753
Formula: C18H18O2

Common Name	5-Ethenyl-1,6-Dimethyl-9,10-Dihydrophenanthrene-2,7-Diol
IUPAC Name	5-ethenyl-1,6-dimethyl-9,10-dihydrophenanthrene-2,7-diol
Canonical SMILES	C=Cc1c(C)c(O)cc2c1c1ccc(c(c1CC2)C)O
Standard InCHI	InChI=1S/C18H18O2/c1-4-13-10(2)17(20)9-12-5-6-14-11(3)16(19)8-7-15(14)18(12)13/h4,7-9,19-20H,1,5-6H2,2-3H3
Standard InCHIKey	XNVMKPYDOHZJLR-UHFFFAOYSA-N
External Identifiers	ChEMBL [CHEMBL38650]; PubChem [72740];
Reference of Component-Ingredient Pair	24227494

Occurrence of the ingredient across TCM components

Component ID	Latin Name	Pinyin Name	Chinese Name
TCMH438	Juncus effusus	Deng Xin Cao	灯心草
TCMH278	Juncus effusus	Chuan Deng Xin Cao	川灯心草

Ingredient ID: TCMC2250
Formula: C26H28ClNO

Common Name	Zuclomiphene
IUPAC Name	2-[4-[(Z)-2-chloro-1,2-diphenylethenyl]phenoxy]-N,N-diethylethanamine
Canonical SMILES	CCN(CCOc1ccc(cc1)/C(=C(/c1ccccc1)Cl)/c1ccccc1)CC
Standard InCHI	InChI=1S/C26H28ClNO/c1-3-28(4-2)19-20-29-24-17-15-22(16-18-24)25(21-11-7-5-8-12-21)26(27)23-13-9-6-10-14-23/h5-18H,3-4,19-20H2,1-2H3/b26-25-
Standard InCHIKey	GKIRPKYJQBWNGO-QPLCGJKRSA-N
External Identifiers	ChEMBL [CHEMBL167779]; PubChem [1548955];
Reference of Component-Ingredient Pair	N/A

Occurrence of the ingredient across TCM components

Component ID	Latin Name	Pinyin Name	Chinese Name
TCMH438	Juncus effusus	Deng Xin Cao	灯心草
TCMH278	Juncus effusus	Chuan Deng Xin Cao	川灯心草

Ingredient ID: TCMC2163
Formula: C6H12N2S4

Common Name	Thiram
IUPAC Name	dimethylcarbamothioylsulfanyl N,N-dimethylcarbamodithioate
Canonical SMILES	CN(C(=S)SSC(=S)N(C)C)C
Standard InCHI	InChI=1S/C6H12N2S4/c1-7(2)5(9)11-12-6(10)8(3)4/h1-4H3
Standard InCHIKey	KUAZQDVKQLNFPE-UHFFFAOYSA-N
External Identifiers	ChEMBL [CHEMBL120563]; PubChem [5455];
Reference of Component-Ingredient Pair	N/A

Occurrence of the ingredient across TCM components

Component ID	Latin Name	Pinyin Name	Chinese Name
TCMH438	Juncus effusus	Deng Xin Cao	灯心草
TCMH278	Juncus effusus	Chuan Deng Xin Cao	川灯心草

Ingredient ID: TCMC1535
Formula: C6H14O6

Common Name	Mannitol
IUPAC Name	(2R,3R,4R,5R)-hexane-1,2,3,4,5,6-hexol
Canonical SMILES	OC[C@H]([C@H]([C@@H]([C@@H](CO)O)O)O)O
Standard InCHI	InChI=1S/C6H14O6/c7-1-3(9)5(11)6(12)4(10)2-8/h3-12H,1-2H2/t3-,4-,5-,6-/m1/s1
Standard InCHIKey	FBPFZTCFMRRESA-KVTDHHQDSA-N
External Identifiers	ChEMBL [CHEMBL689]; PubChem [6251];
Reference of Component-Ingredient Pair	29968805

Occurrence of the ingredient across TCM components

Component ID	Latin Name	Pinyin Name	Chinese Name
TCMH1939	Combretum indicum	Shi Jun Zi Ren	使君子仁
TCMH1656	Angelica decursiva	Qian Hu	前胡
TCMH1226	Laminaria japonica	Kun Bu	昆布
TCMH797	Sargassum	Hai Zao	海藻
TCMH2625	Arisaema consanguineum	Zhi Nan Xing	制南星
TCMH438	Juncus effusus	Deng Xin Cao	灯心草
TCMH1740	Cistanche deserticola	Rou Cong Rong	肉苁蓉
TCMH2642	Gardenia jasminoides	Zhi Zi Jin Gao	栀子浸膏
TCMH2137	Pogostemon cablin	Tu Huo Xiang	土藿香
TCMH317	Capsella bursa-pastoris	Ci Cai	荠菜
TCMH2710	Homo sapiens	Zi He Che	紫河车
TCMH1499	Changium smyrnioides	Ming Dang Shen	明党参
TCMH2050	Punica granatum	Suan Shi Liu	酸石榴
TCMH1111	Polygala glomerata	Jin Niu Cao	金牛草
TCMH2671	Polyporus umbellatus	Zhu Ling	猪苓
TCMH2462	Crataegus pinnatifida	Ye Shan Zha	野山楂
TCMH1299	Ganoderma lucidum	Ling Zhi(1)	灵芝
TCMH905	Picrorhiza kurrooa	Hu Huang Lian	胡黄连
TCMH2286	Berberis julianae	Xiao Bo Gen	小檗根
TCMH1597	Ligustrum lucidum	Nv Zhen Zi	女贞子
TCMH2322	Prunus armeniaca	Xing Ren	杏仁
TCMH1197	Selaginella tamariscina	Juan Bai	卷柏
TCMH1966	Rehmannia glutinosa	Shu Di Huang	熟地黄
TCMH1285	Orobanche coerulescens	Lie Dang	列当
TCMH1033	Centella asiatica	Ji Xue Cao	积雪草
TCMH1121	Cardiospermum halicacabum	Jin Si Ku Lian	金丝苦楝
TCMH1592	Origanum vulgare	Niu Zhi	牛至
TCMH2370	Commelina communis	Ya Zhi Cao	鸭跖草
TCMH202	Bombyx mori	Can Yong	蚕蛹
TCMH494	Cordyceps sinensis	Dong Chong Xia Cao	冬虫夏草
TCMH57	Wolfiporia cocos	Bai Fu Ling	白茯苓
TCMH1176	Allium tuberosum	Jiu Zi	韭子
TCMH710	Trichosanthes kirilowii maxim	Gua Lou Zi	瓜蒌子
TCMH1635	Typha angustata	Pu Huang Jin Gao	蒲黄浸膏
TCMH1155	Allium tuberosum	Jiu Cai	韭菜
TCMH278	Juncus effusus	Chuan Deng Xin Cao	川灯心草
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
TCMH1734	Homo sapiens	Ren Zhong Bai	人中白
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
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
TCMH1913	Arisaema consanguineum	Sheng Tian Nan Xing	生天南星
TCMH2094	Arisaema consanguineum	Tian Nan Xing	天南星
TCMH1296	Ganoderma lucidum	Ling Zhi Jin Gao	灵芝浸膏
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
TCMH1634	Typha angustata	Pu Huang	蒲黄
TCMH8	Rehmannia glutinosa	Ai Di Huang	矮地黄
TCMH451	Rehmannia glutinosa	Di Huang	地黄
TCMH453	Rehmannia glutinosa	Di Huang Tan	地黄炭
TCMH643	Rehmannia glutinosa	Gan Di Huang	干地黄
TCMH1856	Gardenia jasminoides	Shan Zhi	山栀
TCMH2641	Gardenia jasminoides	Zhi Zi	栀子

Ingredient ID: TCMC1098
Formula: C17H16O2

Common Name	Effusol
IUPAC Name	5-ethenyl-1-methyl-9,10-dihydrophenanthrene-2,7-diol
Canonical SMILES	C=Cc1cc(O)cc2c1c1ccc(c(c1CC2)C)O
Standard InCHI	InChI=1S/C17H16O2/c1-3-11-8-13(18)9-12-4-5-14-10(2)16(19)7-6-15(14)17(11)12/h3,6-9,18-19H,1,4-5H2,2H3
Standard InCHIKey	GEXAPRXWKRZPCK-UHFFFAOYSA-N
External Identifiers	ChEMBL [CHEMBL205119]; PubChem [100801];
Reference of Component-Ingredient Pair	N/A

Occurrence of the ingredient across TCM components

Component ID	Latin Name	Pinyin Name	Chinese Name
TCMH438	Juncus effusus	Deng Xin Cao	灯心草
TCMH278	Juncus effusus	Chuan Deng Xin Cao	川灯心草

Properties

Ingredient ID	Formulae	Name	MW	AlogP	MlogP	XlogP	# HBA	# HBD	PSA	# Rotatable Bond	# Ring	# Heacy Atom	Lipinski RO5 Violation
TCMC495	C7H6O2	4-Hydroxybenzaldehyde	122.04	-0.6527	2.01	1.484	1	1	37.3	2	1	9	0
TCMC542	C20H20O8	5-Demethylnobiletin	388.12	-1.2229	2.78	1.273	1	1	92.68	12	3	28	0
TCMC747	C15H22O9	Aucubin	346.13	-3.5817	2.12	-2.39	9	6	149.07	10	3	24	1
TCMC877	C15H22O10	Catalpol	362.12	-4.3433	2.01	-2.707	10	6	161.6	10	4	25	1
TCMC1098	C17H16O2	Effusol	252.12	0.5537	3.11	4.566	0	2	40.46	4	3	19	0
TCMC1535	C6H14O6	Mannitol	182.08	-2.9402	1.46	-3.896	6	6	121.38	11	0	12	1
TCMC2163	C6H12N2S4	Thiram	239.99	3.1558	1.46	1.548	2	0	121.26	9	0	12	0
TCMC2250	C26H28ClNO	Zuclomiphene	405.19	1.2286	3.99	9.846	1	0	12.47	12	3	29	1
TCMC2753	C18H18O2	5-Ethenyl-1,6-Dimethyl-9,10-Dihydrophenanthrene-2,7-Diol	266.13	1.1957	3.22	4.678	0	2	40.46	5	3	20	0
TCMC3043	C13H26O	2-Tridecanone	198.1983655	-2.7598	2.78	5.559	1	0	17.07	10	0	14	1
TCMC4184	C18H36O	Hexahydrofarnesyl Acetone	268.2766158	1.0346	3.33	8.221	1	0	17.07	12	0	19	2
TCMC5280	C18H16O3	2-Hydroxy-8-Carboxy-1-Methyl-5-Ethenyl-9,10-Dihydrophenanthrene	279.1021193	0.0964	3.11	4.707	2	1	60.36	2	3	21	0
TCMC5871	C10H16O	P-Menth-4-En-3-One	152.1201151	0.8119	2.45	2.463	1	0	17.07	1	1	11	0
TCMC6059	C12H14O5	Mono-P-Coumaroyl Glyceride	238.0841235	-1.1381	2.23	0.826	4	3	86.99	6	1	17	0
TCMC6948	C18H18O	Juncunol	250.1357652	1.656	3.33	6.907	0	1	20.23	1	3	19	1
TCMC6963	C18H16O3	2-Hydroxy-7-Carboxy-1-Methyl-5-Ethenyl-9,10-Dihydrophenanthrene	279.1021193	0.0964	3.11	4.707	2	1	60.36	2	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: Juncus effusus 灯心草

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: TCMC877

Occurrence of the ingredient across TCM components

Ingredient ID: TCMC747

Occurrence of the ingredient across TCM components

Ingredient ID: TCMC6963

Occurrence of the ingredient across TCM components

Ingredient ID: TCMC6948

Occurrence of the ingredient across TCM components

Ingredient ID: TCMC6059

Occurrence of the ingredient across TCM components

Ingredient ID: TCMC5871

Occurrence of the ingredient across TCM components

Ingredient ID: TCMC542

Occurrence of the ingredient across TCM components

Ingredient ID: TCMC5280

Occurrence of the ingredient across TCM components

Ingredient ID: TCMC495

Occurrence of the ingredient across TCM components

Ingredient ID: TCMC4184

Occurrence of the ingredient across TCM components

Ingredient ID: TCMC3043

Occurrence of the ingredient across TCM components

Ingredient ID: TCMC2753

Occurrence of the ingredient across TCM components

Ingredient ID: TCMC2250

Occurrence of the ingredient across TCM components

Ingredient ID: TCMC2163

Occurrence of the ingredient across TCM components

Ingredient ID: TCMC1535

Occurrence of the ingredient across TCM components

Ingredient ID: TCMC1098

Occurrence of the ingredient across TCM components

Properties

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