TCM-ID Component

Description of the Component

Component ID	TCMH2309
Latin Name	Allium macrostemon
English Name	Longstamen onion
Chinese Pinyin Name	Xie Bai
中文名	薤白
TCM Properties	Warm,Pungent,Bitter
TCM Meridians	Lung,Large Intestine,Stomach
Therapeutic Class English	Regulation of qi
Therapeutic Class Chinese	理气
Functions	remove the retained phlegm from the chest, promote the flow of qi and relieve its stagnation
Toxicity	NA
Geo-authentic habitats (道地产区)	Jiangsu Province,Shanghai
Reference	Chinese Pharmacopoeia (2015)
Barcode ID	ITSAL4510-14
Barcode Source	BOLDSYSTEMS

TCM Prescriptions with the Component

Prescription ID	Prescription English Name	Prescription Chinese Name
TCMFx1995	Added Flavor BXHP Decoction	价位半夏厚朴汤
TCMF610	Bu Xin Qi Oral Liquid	补心气口服液
TCMF367	Dan Lou Tablet	丹蒌片
TCMFx2807	Gua Lou Xie Bai Ban Xia Decoction	瓜蒌薤白半夏汤
TCMF4339	Jing Zhi Ke Sou Tan Chuan Pills	京制咳嗽痰喘丸
TCMFx2899	Kuo Lou Xie Bai Ban Xia Decoction	括蒌薤白半夏汤
TCMFx1746	Poncirus Allium Cinnamomum Decoction	枳实薤白桂枝汤
TCMF4925	Qi Guan Yan Pills	气管炎丸
TCMF5517	Shu Xin Jiang Zhi Tablets	舒心降脂片
TCMF5523	Shu Xin Ning Tablets	舒心宁片
TCMFx2200	Stomach Pain Tested Recipe	胃炎验方
TCMFx107	Tong Xie Ning Granules	痛泻宁颗粒
TCMFx2760	TrichoSan thes Fruit, Chinese Chive, and Pinellia Decoction	括蒌薤白半夏汤
TCMFx1544	Tricosanthes Allium Wine Decoction	瓜蒌薤白白酒汤
TCMFx5572	Wei Bing Pills	胃病丸
TCMF6010	Xiang Lian Hua Zhi Tablets	香连化滞片
TCMF376	Xin Nao Ning Capsule	心脑宁胶囊
TCMF2266	Yang Warming and Qi Benefiting Decoction	温阳益气通脉汤
TCMFx1140	Zhen Xin Tong Oral Liquid	镇心痛口服液
TCMFx2811	Zhi Shi Xie Bai Gui Zhi Decoction	枳实薤白桂枝汤

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
TCMT112	ADORA3	Adenosine A3 receptor	GPCR	P0DMS8
TCMT126	TERT	Telomerase reverse transcriptase	Transferase	O14746
TCMT150	RORC	Nuclear receptor ROR-gamma	Nuclear receptor	P51449
TCMT162	UGT1A1	UDP-glucuronosyltransferase 1-1	Transferase	P22309
TCMT17	POLB	DNA polymerase beta	Transferase	P06746
TCMT186	MAOB	Monoamine oxidase B	Oxidoreductase	P27338
TCMT2	MAPT	Microtubule-associated protein tau	Unclassified	P10636
TCMT208	MAOA	Monoamine oxidase A	Oxidoreductase	P21397
TCMT265	GSK3B	Glycogen synthase kinase-3 beta	Kinase	P49841
TCMT296	ADORA1	Adenosine A1 receptor	GPCR	P30542
TCMT3	ALOX15	Arachidonate 15-lipoxygenase	Oxidoreductase	P16050
TCMT31	CYP2C19	Cytochrome P450 2C19	Oxidoreductase	P33261
TCMT327	TRPV1	Vanilloid receptor	Ion channel	Q8NER1
TCMT33	CYP3A4	Cytochrome P450 3A4	Oxidoreductase	P08684
TCMT336	IDO1	Indoleamine 2,3-dioxygenase	Oxidoreductase	P14902
TCMT34	CYP2D6	Cytochrome P450 2D6	Oxidoreductase	P10635
TCMT42	KMT2A	Histone-lysine N-methyltransferase MLL	Transferase	Q03164
TCMT423	EGFR	Epidermal growth factor receptor erbB1	Kinase	P00533
TCMT571	ADORA2B	Adenosine A2b receptor	GPCR	P29275
TCMT597	SLC28A3	Solute carrier family 28 member 3	Transporter	Q9HAS3
TCMT620	HSPA8	Heat shock cognate 71 kDa protein	Unclassified	P11142
TCMT632	PNP	Purine nucleoside phosphorylase	Transferase	P00491
TCMT683	MIF	Macrophage migration inhibitory factor	Isomerase	P14174
TCMT689	TGM2	Protein-glutamine gamma-glutamyltransferase	Transferase	P21980
TCMT704	ERBB2	Receptor protein-tyrosine kinase erbB-2	Kinase	P04626
TCMT707	ADORA2A	Adenosine A2a receptor	GPCR	P29274
TCMT709	SLC28A2	Sodium/nucleoside cotransporter 2	Transporter	O43868
TCMT710	SLC28A1	Sodium/nucleoside cotransporter 1	Transporter	O00337
TCMT8	KDM4E	Lysine-specific demethylase 4D-like	Oxidoreductase	B2RXH2
TCMT80	MAPK1	MAP kinase ERK2	Kinase	P28482
TCMT87	CYP2C9	Cytochrome P450 2C9	Oxidoreductase	P11712

Targeted Pathogenic Microbes by the Ingredient of Component

Target ID	Target Name
TCMT1346	Helicobacter pylori
TCMT1438	Plasmodium falciparum
TCMT1454	Bacillus subtilis
TCMT1462	Streptococcus mutans

Ingredient Structrues

Ingredient ID: TCMC7335
Formula: C20H32O4

Common Name	Prostaglandin A1
IUPAC Name	7-[(1R,2S)-2-[(Z,3S)-3-hydroxyoct-1-enyl]-5-oxocyclopent-3-en-1-yl]heptanoic acid
Canonical SMILES	CCCCC[C@@H](/C=C[C@H]1C=CC(=O)[C@@H]1CCCCCCC(=O)[O-])O
Standard InCHI	InChI=1S/C20H32O4/c1-2-3-6-9-17(21)14-12-16-13-15-19(22)18(16)10-7-4-5-8-11-20(23)24/h12-18,21H,2-11H2,1H3,(H,23,24)/p-1/b14-12-/t16-,17-,18+/m0/s1
Standard InCHIKey	BGKHCLZFGPIKKU-FNQWWAFDSA-M
External Identifiers	ChEMBL [N/A]; PubChem [124524606];
Reference of Component-Ingredient Pair	N/A

Occurrence of the ingredient across TCM components

Component ID	Latin Name	Pinyin Name	Chinese Name
TCMH2309	Allium macrostemon	Xie Bai	薤白

Ingredient ID: TCMC7235
Formula: C51H84O23

Common Name	Macrostemonoside A
IUPAC Name	(2S,3R,4S,5S,6R)-2-[(2S,3R,4S,5R,6R)-2-[(2R,3R,4R,5R,6R)-4,5-dihydroxy-2-(hydroxymethyl)-6-[(1R,2S,4S,5'R,6R,7S,8R,9S,12S,13S,16S,18S)-5',7,9,13-tetramethylspiro[5-oxapentacyclo[10.8.0.02,9.04,8.013,18]icosane-6,2'-oxane]-16-yl]oxyoxan-3-yl]oxy-5-hydroxy-6-(hydroxymethyl)-3-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-4-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol
Canonical SMILES	OC[C@H]1O[C@@H](O[C@H]2CC[C@]3([C@H](C2)CC[C@@H]2[C@@H]3CC[C@]3([C@H]2C[C@H]2[C@@H]3[C@H](C)[C@]3(O2)CC[C@H](CO3)C)C)C)[C@@H]([C@H]([C@H]1O[C@@H]1O[C@H](CO)[C@H]([C@@H]([C@H]1O[C@@H]1O[C@H](CO)[C@H]([C@@H]([C@H]1O)O)O)O[C@@H]1O[C@H](CO)[C@H]([C@@H]([C@H]1O)O)O)O)O)O
Standard InCHI	InChI=1S/C51H84O23/c1-20-7-12-51(65-19-20)21(2)32-27(74-51)14-26-24-6-5-22-13-23(8-10-49(22,3)25(24)9-11-50(26,32)4)66-45-41(64)38(61)42(31(18-55)70-45)71-48-44(73-47-40(63)37(60)34(57)29(16-53)68-47)43(35(58)30(17-54)69-48)72-46-39(62)36(59)33(56)28(15-52)67-46/h20-48,52-64H,5-19H2,1-4H3/t20-,21+,22+,23+,24-,25+,26+,27+,28-,29-,30-,31-,32+,33-,34-,35-,36+,37+,38-,39-,40-,41-,42+,43+,44-,45-,46+,47+,48+,49+,50+,51-/m1/s1
Standard InCHIKey	HMQLHCKDYUUVRG-GZWLYJSMSA-N
External Identifiers	ChEMBL [N/A]; PubChem [101932448];
Reference of Component-Ingredient Pair	N/A

Occurrence of the ingredient across TCM components

Component ID	Latin Name	Pinyin Name	Chinese Name
TCMH2309	Allium macrostemon	Xie Bai	薤白

Ingredient ID: TCMC7203
Formula: C45H74O19

Common Name	Macrostemonoside L
IUPAC Name	(2R,3R,4S,5S,6R)-2-[(2R)-4-[(1R,2S,4S,8S,9S,12S,13S,15S,16R,18R)-16-[(2R,3R,4S,5R,6R)-4,5-dihydroxy-6-(hydroxymethyl)-3-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-15-hydroxy-7,9,13-trimethyl-5-oxapentacyclo[10.8.0.02,9.04,8.013,18]icos-6-en-6-yl]-2-methylbutoxy]-6-(hydroxymethyl)oxane-3,4,5-triol
Canonical SMILES	OC[C@H]1O[C@@H](O[C@@H]2C[C@H]3CC[C@@H]4[C@@H]([C@]3(C[C@@H]2O)C)CC[C@]2([C@H]4C[C@H]3[C@@H]2C(=C(O3)CC[C@H](CO[C@@H]2O[C@H](CO)[C@H]([C@@H]([C@H]2O)O)O)C)C)C)[C@@H]([C@H]([C@H]1O)O)O[C@@H]1O[C@H](CO)[C@H]([C@@H]([C@H]1O)O)O
Standard InCHI	InChI=1S/C45H74O19/c1-18(17-58-41-38(56)35(53)32(50)28(14-46)61-41)5-8-25-19(2)31-27(59-25)12-23-21-7-6-20-11-26(24(49)13-45(20,4)22(21)9-10-44(23,31)3)60-43-40(37(55)34(52)30(16-48)63-43)64-42-39(57)36(54)33(51)29(15-47)62-42/h18,20-24,26-43,46-57H,5-17H2,1-4H3/t18-,20-,21-,22+,23+,24+,26-,27+,28-,29-,30-,31+,32-,33-,34+,35+,36+,37+,38-,39-,40-,41-,42+,43-,44+,45+/m1/s1
Standard InCHIKey	QEJIXVVELVKWFA-IDSKHDLQSA-N
External Identifiers	ChEMBL [N/A]; PubChem [101669620];
Reference of Component-Ingredient Pair	N/A

Occurrence of the ingredient across TCM components

Component ID	Latin Name	Pinyin Name	Chinese Name
TCMH2309	Allium macrostemon	Xie Bai	薤白

Ingredient ID: TCMC6882
Formula: C24H48O2

Common Name	21-Methyl Tricosanoic Acid
IUPAC Name	(21R)-21-methyltricosanoic acid
Canonical SMILES	CC[C@H](CCCCCCCCCCCCCCCCCCCC(=O)[O-])C
Standard InCHI	InChI=1S/C24H48O2/c1-3-23(2)21-19-17-15-13-11-9-7-5-4-6-8-10-12-14-16-18-20-22-24(25)26/h23H,3-22H2,1-2H3,(H,25,26)/p-1/t23-/m1/s1
Standard InCHIKey	ZFMBTKXCQZOFGH-HSZRJFAPSA-M
External Identifiers	ChEMBL [N/A]; PubChem [71367623];
Reference of Component-Ingredient Pair	N/A

Occurrence of the ingredient across TCM components

Component ID	Latin Name	Pinyin Name	Chinese Name
TCMH2309	Allium macrostemon	Xie Bai	薤白

Ingredient ID: TCMC671
Formula: C10H16

Common Name	Alpha-Pinene
IUPAC Name	4,6,6-trimethylbicyclo[3.1.1]hept-3-ene
Canonical SMILES	CC1=CCC2CC1C2(C)C
Standard InCHI	InChI=1S/C10H16/c1-7-4-5-8-6-9(7)10(8,2)3/h4,8-9H,5-6H2,1-3H3
Standard InCHIKey	GRWFGVWFFZKLTI-UHFFFAOYSA-N
External Identifiers	ChEMBL [CHEMBL442565]; PubChem [6654];
Reference of Component-Ingredient Pair	29191726

Occurrence of the ingredient across TCM components

Component ID	Latin Name	Pinyin Name	Chinese Name
TCMH4	Ferula assafoetida	A Wei	阿魏
TCMH211	Atractylodes lancea	Cang Zhu	苍术
TCMH907	Piper nigrum	Hu Jiao	胡椒
TCMH1063	Curcuma longa	Jiang Huang	姜黄
TCMH2407	Bupleurum chinense	Yan Tai Chai Hu	烟台柴胡
TCMH924	Zanthoxylum bungeanum	Hua Jiao	花椒
TCMH2630	Citrus aurantium	Zhi Shi	枳实
TCMH265	Laggera pterodonta	Chu Ling Dan Cao	臭灵丹草
TCMH1753	Boswellia carterii	Ru Xiang	乳香
TCMH2495	Artemisia capillaris	Yin Chen Hao Gan Jin Gao	茵陈蒿干浸膏
TCMH1165	Murraya paniculata	Jiu Li Xiang	九里香
TCMH2144	Inula helenium	Tu Mu Xiang	土木香
TCMH2040	Liquidambar orientalis	Su He Xiang	苏合香
TCMH2538	Zea mays	Yu Mi Xu	玉米须
TCMH491	Oleum ocimi gratissimi	Ding Xiang Luo Le You	丁香罗勒油
TCMH307	Cnidium officinale	Chuan Xiong Jin Gao	川芎浸膏
TCMH2491	Alpinia oxyphylla	Yi Zhi Ren	益智仁
TCMH2265	Cyperus rotundus	Xiang Fu	香附
TCMH1923	Acorus tatarinowii	Shi Chang Pu Qing Gao	石菖蒲清膏
TCMH1825	Litsea cubeba	Shan Jiang Zi	山姜子
TCMH2050	Punica granatum	Suan Shi Liu	酸石榴
TCMH1872	Cnidium monnieri	She Ma Zi	蛇麻子
TCMH800	Herba ecliptae prostratae	Han Lian Cao	旱莲草
TCMH422	Angelica sinensis	Dang Gui Gan Jin Gao	当归干浸膏
TCMH1839	Panax ginseng	Shan Shen	山参
TCMH2309	Allium macrostemon	Xie Bai	薤白
TCMH2239	Asarum sieboldii	Xi Xin	细辛
TCMH685	Syzygium aromaticum	Gong Ding Xiang	公丁香
TCMH2551	Polygonatum odoratum	Yu Zhu	玉竹
TCMH670	Ligusticum sinense	Gao Ben	藁本
TCMH2206	Schisandra chinensis	Wu Wei Zi Liu Jin Gao	五味子流浸膏
TCMH2545	Houttuynia cordata	Yu Xing Cao	鱼腥草
TCMH970	Vitex negundo	Huang Jing Zi	黄荆子
TCMH2452	Chrysanthemum indicum	Ye Ju Hua	野菊花
TCMH223	Platycladus orientalis	Ce Bai Tan	侧柏炭
TCMH1660	Senecio scandens	Qian Li Guang	千里光
TCMH1000	Foeniculum vulgare	Hui Xiang	茴香
TCMH2698	Valeriana officinalis	Zhua Di Hu	抓地虎
TCMH1903	Zingiber officinale	Sheng Jiang	生姜
TCMH447	Illicium difengpi	Di Feng Pi	地枫皮
TCMH961	Artemisia scoparia	Huang Hao	黄蒿
TCMH1531	Akebia quinata	Mu Tong	木通
TCMH148	Glehnia littoralis	Bei Sha Shen Liu Jin Gao	北沙参流浸膏
TCMH348	Lobelia chinensis	Da Ban Bian Lian	大半边莲
TCMH71	Oldenlandia diffusa	Bai Hua She She Cao	白花蛇舌草
TCMH1272	Forsythia suspensa	Lian Qiao	连翘
TCMH160	Piper cubeba	Bi Cheng Qie	毕澄茄
TCMH203	Acorus calamus	Cang Chang Pu	藏菖蒲
TCMH1741	Myristica fragrans	Rou Dou Kou	肉豆蔻
TCMH1804	Amomum villosum	Sha Ren Ye	砂仁叶
TCMH1184	Citrus reticulata	Ju Pi	橘皮
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
TCMH1777	Panax notoginseng	San Qi Ye Jing	三七叶茎
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
TCMH1803	Amomum villosum	Sha Ren	砂仁
TCMH122	Lobelia chinensis	Ban Bian Lian	半边莲
TCMH421	Angelica sinensis	Dang Gui	当归
TCMH1866	Cnidium monnieri	She Chuang Zi	蛇床子
TCMH2281	Citrus medica	Xiang Yuan	香橼
TCMH1225	Valeriana officinalis	Kuan Ye Xie Cao	宽叶缬草
TCMH2310	Valeriana officinalis	Xie Cao	缬草
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
TCMH1770	Panax notoginseng	San Qi Gan Jin Gao	三七干浸膏
TCMH1771	Panax notoginseng	San Qi Gao Fen	三七膏粉
TCMH1772	Panax notoginseng	San Qi Hua	三七花
TCMH1774	Panax notoginseng	San Qi Jing Ye	三七茎叶
TCMH1776	Panax notoginseng	San Qi Ye	三七叶
TCMH2488	Alpinia oxyphylla	Yi Zhi	益智
TCMH309	Curcuma longa	Chuan Yu Jin	川郁金
TCMH1178	Citrus reticulata	Ju He	橘核
TCMH12	Artemisia argyi	Ai Ye	艾叶
TCMH264	Laggera pterodonta	Chu Ling Dan	臭灵丹
TCMH64	Piper nigrum	Bai Hu Jiao	白胡椒
TCMH839	Piper nigrum	Hei Hu Jiao	黑胡椒
TCMH511	Litsea cubeba	Dou Chi Jiang	豆豉姜
TCMH1812	Litsea cubeba	Shan Cang Zi	山苍子
TCMH1721	Panax ginseng	Ren Shen	人参
TCMH1728	Panax ginseng	Ren Shen Ye	人参叶
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
TCMH305	Cnidium officinale	Chuan Xiong	川芎
TCMH486	Syzygium aromaticum	Ding Xiang	丁香
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
TCMH2202	Schisandra chinensis	Wu Wei Zi	五味子
TCMH2203	Schisandra chinensis	Wu Wei Zi Chun Jin Gao	五味子醇浸膏
TCMH2204	Schisandra chinensis	Wu Wei Zi Jin Chu Wu	五味子浸出物
TCMH2205	Schisandra chinensis	Wu Wei Zi Jin Gao	五味子浸膏
TCMH1920	Acorus tatarinowii	Shi Chang Pu	石菖蒲
TCMH1922	Acorus tatarinowii	Shi Chang Pu Jin Gao	石菖蒲浸膏
TCMH147	Glehnia littoralis	Bei Sha Shen	北沙参

Ingredient ID: TCMC662
Formula: C4H5NS

Common Name	Allyl Isothiocyanate
IUPAC Name	3-isothiocyanatoprop-1-ene
Canonical SMILES	C=CCN=C=S
Standard InCHI	InChI=1S/C4H5NS/c1-2-3-5-4-6/h2H,1,3H2
Standard InCHIKey	ZOJBYZNEUISWFT-UHFFFAOYSA-N
External Identifiers	ChEMBL [CHEMBL233248]; PubChem [5971];
Reference of Component-Ingredient Pair	27038267

Occurrence of the ingredient across TCM components

Component ID	Latin Name	Pinyin Name	Chinese Name
TCMH317	Capsella bursa-pastoris	Ci Cai	荠菜
TCMH2710	Homo sapiens	Zi He Che	紫河车
TCMH2309	Allium macrostemon	Xie Bai	薤白
TCMH685	Syzygium aromaticum	Gong Ding Xiang	公丁香
TCMH1090	Brassica juncea	Jie Zi	芥子
TCMH79	Sinapis alba	Bai Jie Zi	白芥子
TCMH1734	Homo sapiens	Ren Zhong Bai	人中白
TCMH486	Syzygium aromaticum	Ding Xiang	丁香

Ingredient ID: TCMC657
Formula: C6H10S3

Common Name	Allitridin
IUPAC Name	3-(prop-2-enyltrisulfanyl)prop-1-ene
Canonical SMILES	C=CCSSSCC=C
Standard InCHI	InChI=1S/C6H10S3/c1-3-5-7-9-8-6-4-2/h3-4H,1-2,5-6H2
Standard InCHIKey	UBAXRAHSPKWNCX-UHFFFAOYSA-N
External Identifiers	ChEMBL [CHEMBL123040]; PubChem [16315];
Reference of Component-Ingredient Pair	19707466

Occurrence of the ingredient across TCM components

Component ID	Latin Name	Pinyin Name	Chinese Name
TCMH382	Allium sativum	Da Suan	大蒜
TCMH1791	Loranthus parasiticus	Sang Ji Sheng	桑寄生
TCMH2309	Allium macrostemon	Xie Bai	薤白

Ingredient ID: TCMC656
Formula: C6H10OS2

Common Name	Allicin
IUPAC Name	3-prop-2-enylsulfinylsulfanylprop-1-ene
Canonical SMILES	C=CCSS(=O)CC=C
Standard InCHI	InChI=1S/C6H10OS2/c1-3-5-8-9(7)6-4-2/h3-4H,1-2,5-6H2
Standard InCHIKey	JDLKFOPOAOFWQN-UHFFFAOYSA-N
External Identifiers	ChEMBL [CHEMBL359965]; PubChem [65036];
Reference of Component-Ingredient Pair	21792365

Occurrence of the ingredient across TCM components

Component ID	Latin Name	Pinyin Name	Chinese Name
TCMH334	Allium fistulosum	Cong Bai	葱白
TCMH382	Allium sativum	Da Suan	大蒜
TCMH2309	Allium macrostemon	Xie Bai	薤白
TCMH2018	Bulbus allii fistulosi	Si Ji Cong Tou	四季葱头
TCMH333	Bulbus allii fistulosi	Cong	葱
TCMH336	Bulbus allii fistulosi	Cong Tou	葱头

Ingredient ID: TCMC632
Formula: C10H13N5O4

Common Name	Adenosine
IUPAC Name	(2R,3R,4S,5R)-2-(6-aminopurin-9-yl)-5-(hydroxymethyl)oxolane-3,4-diol
Canonical SMILES	OC[C@H]1O[C@H]([C@@H]([C@@H]1O)O)n1cnc2c1ncnc2N
Standard InCHI	InChI=1S/C10H13N5O4/c11-8-5-9(13-2-12-8)15(3-14-5)10-7(18)6(17)4(1-16)19-10/h2-4,6-7,10,16-18H,1H2,(H2,11,12,13)/t4-,6-,7-,10-/m1/s1
Standard InCHIKey	OIRDTQYFTABQOQ-KQYNXXCUSA-N
External Identifiers	ChEMBL [CHEMBL477]; PubChem [60961];
Reference of Component-Ingredient Pair	29968805

Occurrence of the ingredient across TCM components

Component ID	Latin Name	Pinyin Name	Chinese Name
TCMH86	Ampelopsis japonica	Bai Lian	白蔹
TCMH914	Sesamum indicum	Hu Ma Ren	胡麻仁
TCMH211	Atractylodes lancea	Cang Zhu	苍术
TCMH1656	Angelica decursiva	Qian Hu	前胡
TCMH382	Allium sativum	Da Suan	大蒜
TCMH1626	Fritillaria ussuriensis	Ping Bei Mu	平贝母
TCMH1177	Ilex cornuta	Ju Gu Ye	枸骨叶
TCMH2469	Fritillaria pallidiflora	Yi Bei Mu	伊贝母
TCMH865	Carthamus tinctorius	Hong Hua	红花
TCMH2703	Fritillaria unibracteata	Zi Bei Mu	紫贝母
TCMH274	Fritillaria cirrhosa	Chuan Bei Mu Liu Jin Gao	川贝母流浸膏
TCMH2137	Pogostemon cablin	Tu Huo Xiang	土藿香
TCMH1791	Loranthus parasiticus	Sang Ji Sheng	桑寄生
TCMH985	Astragalus membranaceus	Huang Qi Ti Qu Ye	黄芪提取液
TCMH2710	Homo sapiens	Zi He Che	紫河车
TCMH1894	Pinellia ternata	Sheng Ban Xia	生半夏
TCMH1299	Ganoderma lucidum	Ling Zhi(1)	灵芝
TCMH428	Codonopsis pilosula	Dang Shen Qing Gao	党参清膏
TCMH1322	Solanum nigrum	Long Kui	龙葵
TCMH422	Angelica sinensis	Dang Gui Gan Jin Gao	当归干浸膏
TCMH1839	Panax ginseng	Shan Shen	山参
TCMH2309	Allium macrostemon	Xie Bai	薤白
TCMH1519	Oroxylum indicum	Mu Hu Die	木蝴蝶
TCMH2090	Gastrodia elata	Tian Ma	天麻
TCMH388	Ziziphus jujuba	Da Zao	大枣
TCMH2293	Phaseolus vulgaris	Xiao Hei Dou	小黑豆
TCMH1197	Selaginella tamariscina	Juan Bai	卷柏
TCMH2261	Fritillaria thunbergii	Xiang Bei	象贝
TCMH1966	Rehmannia glutinosa	Shu Di Huang	熟地黄
TCMH2414	Allium cepa	Yang Cong Tou	洋葱头
TCMH2086	Trichosanthes kirilowii	Tian Hua Fen	天花粉
TCMH970	Vitex negundo	Huang Jing Zi	黄荆子
TCMH2376	Corydalis yanhusuo	Yan Hu Suo	延胡索
TCMH2297	Cirsium setosum	Xiao Ji	小蓟
TCMH2590	Pinellia pedatisecta	Zhang Ye Ban Xia	掌叶半夏
TCMH2356	Daemonorops draco	Xue Xie	血蝎
TCMH1483	Tussilago farfara	Mi Kuan Dong Hua	蜜款冬花
TCMH494	Cordyceps sinensis	Dong Chong Xia Cao	冬虫夏草
TCMH1176	Allium tuberosum	Jiu Zi	韭子
TCMH148	Glehnia littoralis	Bei Sha Shen Liu Jin Gao	北沙参流浸膏
TCMH562	Saposhnikovia divaricata	Fang Feng	防风
TCMH1305	Laggera alata	Liu Ling Ju	六棱菊
TCMH1428	Ophiopogon japonicus	Mai Men Dong	麦门冬
TCMH1714	Lonicera japonica	Ren Dong Teng	忍冬藤
TCMH2553	Scrophularia ningpoensis	Yuan Shen	元参
TCMH1777	Panax notoginseng	San Qi Ye Jing	三七叶茎
TCMH1512	Isatis indigotica	Mu Da Qing Ye	木大青叶
TCMH1155	Allium tuberosum	Jiu Cai	韭菜
TCMH273	Fritillaria cirrhosa	Chuan Bei Mu	川贝母
TCMH1127	Lonicera japonica	Jin Yin Hua	金银花
TCMH1128	Lonicera japonica	Jin Yin Hua Ti Qu Ye	金银花提取液
TCMH421	Angelica sinensis	Dang Gui	当归
TCMH426	Codonopsis pilosula	Dang Shen	党参
TCMH1734	Homo sapiens	Ren Zhong Bai	人中白
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
TCMH705	Trichosanthes kirilowii	Gua Lou	瓜蒌
TCMH706	Trichosanthes kirilowii	Gua Lou Pi	瓜蒌皮
TCMH707	Trichosanthes kirilowii	Gua Lou Ren	瓜蒌仁
TCMH708	Trichosanthes kirilowii	Gua Lou Ren Shuang	瓜蒌仁霜
TCMH709	Trichosanthes kirilowii	Gua Lou Shi	栝蒌实
TCMH711	Trichosanthes kirilowii	Gua Lou Gen	栝楼根
TCMH712	Trichosanthes kirilowii	Gua Lou Ren(1)	栝楼仁
TCMH1770	Panax notoginseng	San Qi Gan Jin Gao	三七干浸膏
TCMH1771	Panax notoginseng	San Qi Gao Fen	三七膏粉
TCMH1772	Panax notoginseng	San Qi Hua	三七花
TCMH1774	Panax notoginseng	San Qi Jing Ye	三七茎叶
TCMH1776	Panax notoginseng	San Qi Ye	三七叶
TCMH2413	Allium cepa	Yang Cong	洋葱
TCMH848	Sesamum indicum	Hei Zhi Ma	黑芝麻
TCMH913	Sesamum indicum	Hu Ma	胡麻
TCMH981	Astragalus membranaceus	Huang Qi	黄芪
TCMH983	Astragalus membranaceus	Huang Qi Gan Jin Gao	黄芪干浸膏
TCMH984	Astragalus membranaceus	Huang Qi Jin Gao	黄芪浸膏
TCMH1296	Ganoderma lucidum	Ling Zhi Jin Gao	灵芝浸膏
TCMH1721	Panax ginseng	Ren Shen	人参
TCMH1728	Panax ginseng	Ren Shen Ye	人参叶
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
TCMH126	Isatis indigotica	Ban Lan	板蓝
TCMH127	Isatis indigotica	Ban Lan Gen	板蓝根
TCMH381	Isatis indigotica	Da Qing Ye	大青叶
TCMH1510	Isatis indigotica	Mu Ban Lan Gen	木板蓝根
TCMH1223	Tussilago farfara	Kuan Dong Hua	款冬花
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
TCMH147	Glehnia littoralis	Bei Sha Shen	北沙参
TCMH1423	Ophiopogon japonicus	Mai Dong	麦冬
TCMH1424	Ophiopogon japonicus	Mai Dong Men	麦冬门
TCMH1425	Ophiopogon japonicus	Mai Dong Rou	麦冬肉
TCMH2343	Scrophularia ningpoensis	Xuan Shen	玄参

Ingredient ID: TCMC4004
Formula: C6H12S

Common Name	3-[(1-Methylethyl)Thio]-1-Propene
IUPAC Name	2-prop-2-enylsulfanylpropane
Canonical SMILES	C=CCSC(C)C
Standard InCHI	InChI=1S/C6H12S/c1-4-5-7-6(2)3/h4,6H,1,5H2,2-3H3
Standard InCHIKey	OJBPXSILEFOOQD-UHFFFAOYSA-N
External Identifiers	ChEMBL [N/A]; PubChem [521309];
Reference of Component-Ingredient Pair	29606759

Occurrence of the ingredient across TCM components

Component ID	Latin Name	Pinyin Name	Chinese Name
TCMH2309	Allium macrostemon	Xie Bai	薤白

Ingredient ID: TCMC3415
Formula: C6H14S2

Common Name	Propyl Isopropyl Disulfide
IUPAC Name	1-(propan-2-yldisulfanyl)propane
Canonical SMILES	CCCSSC(C)C
Standard InCHI	InChI=1S/C6H14S2/c1-4-5-7-8-6(2)3/h6H,4-5H2,1-3H3
Standard InCHIKey	YCBVTHJPQCNICU-UHFFFAOYSA-N
External Identifiers	ChEMBL [N/A]; PubChem [118529];
Reference of Component-Ingredient Pair	27056828

Occurrence of the ingredient across TCM components

Component ID	Latin Name	Pinyin Name	Chinese Name
TCMH2309	Allium macrostemon	Xie Bai	薤白

Ingredient ID: TCMC3199
Formula: C4H8S3

Common Name	Allyl Methyl Trisulfide
IUPAC Name	3-(methyltrisulfanyl)prop-1-ene
Canonical SMILES	CSSSCC=C
Standard InCHI	InChI=1S/C4H8S3/c1-3-4-6-7-5-2/h3H,1,4H2,2H3
Standard InCHIKey	JGMPRNFEEAJLAJ-UHFFFAOYSA-N
External Identifiers	ChEMBL [N/A]; PubChem [61926];
Reference of Component-Ingredient Pair	27056828

Occurrence of the ingredient across TCM components

Component ID	Latin Name	Pinyin Name	Chinese Name
TCMH382	Allium sativum	Da Suan	大蒜
TCMH2309	Allium macrostemon	Xie Bai	薤白

Ingredient ID: TCMC284
Formula: C10H16

Common Name	1-Methyl-4-Prop-1-En-2-Ylcyclohexene
IUPAC Name	1-methyl-4-prop-1-en-2-ylcyclohexene
Canonical SMILES	CC1=CCC(CC1)C(=C)C
Standard InCHI	InChI=1S/C10H16/c1-8(2)10-6-4-9(3)5-7-10/h4,10H,1,5-7H2,2-3H3
Standard InCHIKey	XMGQYMWWDOXHJM-UHFFFAOYSA-N
External Identifiers	ChEMBL [CHEMBL15799]; PubChem [22311];
Reference of Component-Ingredient Pair	23449869

Occurrence of the ingredient across TCM components

Component ID	Latin Name	Pinyin Name	Chinese Name
TCMH211	Atractylodes lancea	Cang Zhu	苍术
TCMH907	Piper nigrum	Hu Jiao	胡椒
TCMH1063	Curcuma longa	Jiang Huang	姜黄
TCMH2407	Bupleurum chinense	Yan Tai Chai Hu	烟台柴胡
TCMH924	Zanthoxylum bungeanum	Hua Jiao	花椒
TCMH2630	Citrus aurantium	Zhi Shi	枳实
TCMH265	Laggera pterodonta	Chu Ling Dan Cao	臭灵丹草
TCMH1753	Boswellia carterii	Ru Xiang	乳香
TCMH2495	Artemisia capillaris	Yin Chen Hao Gan Jin Gao	茵陈蒿干浸膏
TCMH1348	Liquidambar formosana	Lu Lu Tong	路路通
TCMH1165	Murraya paniculata	Jiu Li Xiang	九里香
TCMH2144	Inula helenium	Tu Mu Xiang	土木香
TCMH2640	Valeriana jatamansii	Zhi Zhu Xiang	蜘蛛香
TCMH1186	Lycium chinense	Gou Qi Zi	枸杞子
TCMH120	Atractylodes macrocephala	Bai Zhu	白术
TCMH317	Capsella bursa-pastoris	Ci Cai	荠菜
TCMH1343	Aloe vera	Lu Hui	芦荟
TCMH1141	Schizonepeta tenuifolia	Jing Jie	荆芥
TCMH2265	Cyperus rotundus	Xiang Fu	香附
TCMH1212	Melia azedarach	Ku Lian Zi	苦楝子
TCMH2710	Homo sapiens	Zi He Che	紫河车
TCMH1336	Pandanus tectorius	Lu Dou	露兜
TCMH1825	Litsea cubeba	Shan Jiang Zi	山姜子
TCMH2050	Punica granatum	Suan Shi Liu	酸石榴
TCMH1894	Pinellia ternata	Sheng Ban Xia	生半夏
TCMH1872	Cnidium monnieri	She Ma Zi	蛇麻子
TCMH108	Perilla frutescens	Bai Su Zi	白苏子
TCMH422	Angelica sinensis	Dang Gui Gan Jin Gao	当归干浸膏
TCMH1839	Panax ginseng	Shan Shen	山参
TCMH2309	Allium macrostemon	Xie Bai	薤白
TCMH2239	Asarum sieboldii	Xi Xin	细辛
TCMH685	Syzygium aromaticum	Gong Ding Xiang	公丁香
TCMH619	Citrus medica var. sarcodactylis	Fo Shou	佛手
TCMH1665	Notopterygium incisum	Qiang Huo	羌活
TCMH670	Ligusticum sinense	Gao Ben	藁本
TCMH2206	Schisandra chinensis	Wu Wei Zi Liu Jin Gao	五味子流浸膏
TCMH2545	Houttuynia cordata	Yu Xing Cao	鱼腥草
TCMH970	Vitex negundo	Huang Jing Zi	黄荆子
TCMH223	Platycladus orientalis	Ce Bai Tan	侧柏炭
TCMH1000	Foeniculum vulgare	Hui Xiang	茴香
TCMH2698	Valeriana officinalis	Zhua Di Hu	抓地虎
TCMH1903	Zingiber officinale	Sheng Jiang	生姜
TCMH447	Illicium difengpi	Di Feng Pi	地枫皮
TCMH502	Rabdosia rubescens	Dong Ling Cao	冬凌草
TCMH1531	Akebia quinata	Mu Tong	木通
TCMH148	Glehnia littoralis	Bei Sha Shen Liu Jin Gao	北沙参流浸膏
TCMH1272	Forsythia suspensa	Lian Qiao	连翘
TCMH160	Piper cubeba	Bi Cheng Qie	毕澄茄
TCMH2216	Evodia rutaecarpa	Wu Zhu Yu	吴茱萸
TCMH1741	Myristica fragrans	Rou Dou Kou	肉豆蔻
TCMH1804	Amomum villosum	Sha Ren Ye	砂仁叶
TCMH1184	Citrus reticulata	Ju Pi	橘皮
TCMH2282	Citrus medica	Xiang Yuan Pi	香橼皮
TCMH1777	Panax notoginseng	San Qi Ye Jing	三七叶茎
TCMH191	Mentha haplocalyx	Bo He You	薄荷油
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
TCMH1803	Amomum villosum	Sha Ren	砂仁
TCMH421	Angelica sinensis	Dang Gui	当归
TCMH1866	Cnidium monnieri	She Chuang Zi	蛇床子
TCMH2281	Citrus medica	Xiang Yuan	香橼
TCMH1225	Valeriana officinalis	Kuan Ye Xie Cao	宽叶缬草
TCMH2310	Valeriana officinalis	Xie Cao	缬草
TCMH1185	Lycium chinense	Gou Qi	枸杞
TCMH1734	Homo sapiens	Ren Zhong Bai	人中白
TCMH592	Liquidambar formosana	Feng Xiang Ye	枫香叶
TCMH594	Liquidambar formosana	Feng Xiang Zhi Chou Gao	枫香脂稠膏
TCMH310	Melia azedarach	Chuan Lian	川楝
TCMH1211	Melia azedarach	Ku Lian Pi	苦楝皮
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
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
TCMH1770	Panax notoginseng	San Qi Gan Jin Gao	三七干浸膏
TCMH1771	Panax notoginseng	San Qi Gao Fen	三七膏粉
TCMH1772	Panax notoginseng	San Qi Hua	三七花
TCMH1774	Panax notoginseng	San Qi Jing Ye	三七茎叶
TCMH1776	Panax notoginseng	San Qi Ye	三七叶
TCMH309	Curcuma longa	Chuan Yu Jin	川郁金
TCMH1178	Citrus reticulata	Ju He	橘核
TCMH264	Laggera pterodonta	Chu Ling Dan	臭灵丹
TCMH64	Piper nigrum	Bai Hu Jiao	白胡椒
TCMH839	Piper nigrum	Hei Hu Jiao	黑胡椒
TCMH511	Litsea cubeba	Dou Chi Jiang	豆豉姜
TCMH1812	Litsea cubeba	Shan Cang Zi	山苍子
TCMH1721	Panax ginseng	Ren Shen	人参
TCMH1728	Panax ginseng	Ren Shen Ye	人参叶
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
TCMH292	Notopterygium incisum	Chuan Qiang Huo	川羌活
TCMH188	Mentha haplocalyx	Bo He	薄荷
TCMH486	Syzygium aromaticum	Ding Xiang	丁香
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
TCMH2202	Schisandra chinensis	Wu Wei Zi	五味子
TCMH2203	Schisandra chinensis	Wu Wei Zi Chun Jin Gao	五味子醇浸膏
TCMH2204	Schisandra chinensis	Wu Wei Zi Jin Chu Wu	五味子浸出物
TCMH2205	Schisandra chinensis	Wu Wei Zi Jin Gao	五味子浸膏
TCMH147	Glehnia littoralis	Bei Sha Shen	北沙参

Ingredient ID: TCMC2490
Formula: C23H20O6

Common Name	Dehydrodeguelin
IUPAC Name	n.a.
Canonical SMILES	COc1cc2c(cc1OC)OCc1c2c(=O)c2c(o1)c1C=CC(Oc1cc2)(C)C
Standard InCHI	InChI=1S/C23H20O6/c1-23(2)8-7-12-15(29-23)6-5-13-21(24)20-14-9-17(25-3)18(26-4)10-16(14)27-11-19(20)28-22(12)13/h5-10H,11H2,1-4H3
Standard InCHIKey	NGQVFILFHVPLFE-UHFFFAOYSA-N
External Identifiers	ChEMBL [CHEMBL465673]; PubChem [3083803];
Reference of Component-Ingredient Pair	N/A

Occurrence of the ingredient across TCM components

Component ID	Latin Name	Pinyin Name	Chinese Name
TCMH2006	Geum japonicum	Shui Yang Mei Gen	水杨梅根
TCMH1063	Curcuma longa	Jiang Huang	姜黄
TCMH2332	Spiraea japonica	Xiu Xian Ju	绣线菊
TCMH2309	Allium macrostemon	Xie Bai	薤白
TCMH309	Curcuma longa	Chuan Yu Jin	川郁金
TCMH2005	Geum japonicum	Shui Yang Mei	水杨梅

Ingredient ID: TCMC2324
Formula: C10H16

Common Name	Limonene
IUPAC Name	(4R)-1-methyl-4-prop-1-en-2-ylcyclohexene
Canonical SMILES	CC1=CC[C@@H](CC1)C(=C)C
Standard InCHI	InChI=1S/C10H16/c1-8(2)10-6-4-9(3)5-7-10/h4,10H,1,5-7H2,2-3H3/t10-/m0/s1
Standard InCHIKey	XMGQYMWWDOXHJM-JTQLQIEISA-N
External Identifiers	ChEMBL [CHEMBL449062]; PubChem [440917];
Reference of Component-Ingredient Pair	22945026

Occurrence of the ingredient across TCM components

Component ID	Latin Name	Pinyin Name	Chinese Name
TCMH2595	Rhododendron micranthum	Zhao Shan Bai	照山白
TCMH211	Atractylodes lancea	Cang Zhu	苍术
TCMH907	Piper nigrum	Hu Jiao	胡椒
TCMH1063	Curcuma longa	Jiang Huang	姜黄
TCMH2407	Bupleurum chinense	Yan Tai Chai Hu	烟台柴胡
TCMH2039	Caulis perillae frutescentis	Su Geng	苏梗
TCMH924	Zanthoxylum bungeanum	Hua Jiao	花椒
TCMH2630	Citrus aurantium	Zhi Shi	枳实
TCMH2026	Lignum pini nodi	Song Jie	松节
TCMH265	Laggera pterodonta	Chu Ling Dan Cao	臭灵丹草
TCMH1753	Boswellia carterii	Ru Xiang	乳香
TCMH2495	Artemisia capillaris	Yin Chen Hao Gan Jin Gao	茵陈蒿干浸膏
TCMH1348	Liquidambar formosana	Lu Lu Tong	路路通
TCMH1165	Murraya paniculata	Jiu Li Xiang	九里香
TCMH123	Pteris semipinnata	Ban Bian Qi	半边旗
TCMH2201	Securidaca inappendiculata	Wu Wei Teng	五味藤
TCMH2144	Inula helenium	Tu Mu Xiang	土木香
TCMH2640	Valeriana jatamansii	Zhi Zhu Xiang	蜘蛛香
TCMH1186	Lycium chinense	Gou Qi Zi	枸杞子
TCMH120	Atractylodes macrocephala	Bai Zhu	白术
TCMH2150	Cuscuta australis	Tu Si Zi Teng	菟丝子藤
TCMH2003	Kyllinga brevifolia	Shui Wu Gong	水蜈蚣
TCMH1343	Aloe vera	Lu Hui	芦荟
TCMH1141	Schizonepeta tenuifolia	Jing Jie	荆芥
TCMH2265	Cyperus rotundus	Xiang Fu	香附
TCMH1212	Melia azedarach	Ku Lian Zi	苦楝子
TCMH2710	Homo sapiens	Zi He Che	紫河车
TCMH1336	Pandanus tectorius	Lu Dou	露兜
TCMH1825	Litsea cubeba	Shan Jiang Zi	山姜子
TCMH2050	Punica granatum	Suan Shi Liu	酸石榴
TCMH1469	Flos mume	Mei Hua	梅花
TCMH1894	Pinellia ternata	Sheng Ban Xia	生半夏
TCMH1872	Cnidium monnieri	She Ma Zi	蛇麻子
TCMH108	Perilla frutescens	Bai Su Zi	白苏子
TCMH428	Codonopsis pilosula	Dang Shen Qing Gao	党参清膏
TCMH422	Angelica sinensis	Dang Gui Gan Jin Gao	当归干浸膏
TCMH1839	Panax ginseng	Shan Shen	山参
TCMH2309	Allium macrostemon	Xie Bai	薤白
TCMH2728	Aster tataricus	Zi Wan	紫菀
TCMH2239	Asarum sieboldii	Xi Xin	细辛
TCMH2129	Eupolyphaga sinensis	Tu Bie Chong	土鳖虫
TCMH685	Syzygium aromaticum	Gong Ding Xiang	公丁香
TCMH2200	Firmiana simplex	Wu Tong Ye Jin Gao	梧桐叶浸膏
TCMH1611	Rhizoma curcumae	Peng E Zhu	蓬莪术
TCMH619	Citrus medica var. sarcodactylis	Fo Shou	佛手
TCMH1665	Notopterygium incisum	Qiang Huo	羌活
TCMH670	Ligusticum sinense	Gao Ben	藁本
TCMH2651	Elsholtzia splendens	Zhou Ye Xiang Ru	皱叶香薷
TCMH2206	Schisandra chinensis	Wu Wei Zi Liu Jin Gao	五味子流浸膏
TCMH2545	Houttuynia cordata	Yu Xing Cao	鱼腥草
TCMH970	Vitex negundo	Huang Jing Zi	黄荆子
TCMH223	Platycladus orientalis	Ce Bai Tan	侧柏炭
TCMH2066	Santalum album	Tan Xiang	檀香
TCMH1622	Scutellaria baicalensis	Pian Qin	片芩
TCMH1000	Foeniculum vulgare	Hui Xiang	茴香
TCMH500	Benincasa hispida	Dong Gua Zi	冬瓜子
TCMH1903	Zingiber officinale	Sheng Jiang	生姜
TCMH447	Illicium difengpi	Di Feng Pi	地枫皮
TCMH2101	Eupatorium rebaudianum	Tian Ye Ju	甜叶菊
TCMH502	Rabdosia rubescens	Dong Ling Cao	冬凌草
TCMH1531	Akebia quinata	Mu Tong	木通
TCMH148	Glehnia littoralis	Bei Sha Shen Liu Jin Gao	北沙参流浸膏
TCMH71	Oldenlandia diffusa	Bai Hua She She Cao	白花蛇舌草
TCMH1272	Forsythia suspensa	Lian Qiao	连翘
TCMH160	Piper cubeba	Bi Cheng Qie	毕澄茄
TCMH132	Scutellaria barbata	Ban Zhi Lian	半枝莲
TCMH2216	Evodia rutaecarpa	Wu Zhu Yu	吴茱萸
TCMH203	Acorus calamus	Cang Chang Pu	藏菖蒲
TCMH1741	Myristica fragrans	Rou Dou Kou	肉豆蔻
TCMH2121	Semen astragali complanati	Tong Ji Li	潼蒺藜
TCMH1804	Amomum villosum	Sha Ren Ye	砂仁叶
TCMH1184	Citrus reticulata	Ju Pi	橘皮
TCMH2722	Perilla frutescens var. arguta	Zi Su Ye	紫苏叶
TCMH892	Hericium erinaceus	Hou Tou Jun	猴头菌
TCMH2282	Citrus medica	Xiang Yuan Pi	香橼皮
TCMH1142	Schizonepetae spica	Jing Jie Sui	荆芥穗
TCMH2213	Ipomoea cairica	Wu Zhao Long	五爪龙
TCMH13	Artemisia argyi	Ai Ye You	艾叶油
TCMH1777	Panax notoginseng	San Qi Ye Jing	三七叶茎
TCMH191	Mentha haplocalyx	Bo He You	薄荷油
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
TCMH1803	Amomum villosum	Sha Ren	砂仁
TCMH421	Angelica sinensis	Dang Gui	当归
TCMH1866	Cnidium monnieri	She Chuang Zi	蛇床子
TCMH2281	Citrus medica	Xiang Yuan	香橼
TCMH1810	Semen astragali complanati	Sha Yuan Ji Li	沙苑蒺藜
TCMH1811	Semen astragali complanati	Sha Yuan Zi	沙苑子
TCMH426	Codonopsis pilosula	Dang Shen	党参
TCMH498	Benincasa hispida	Dong Gua Pi	冬瓜皮
TCMH1185	Lycium chinense	Gou Qi	枸杞
TCMH1734	Homo sapiens	Ren Zhong Bai	人中白
TCMH592	Liquidambar formosana	Feng Xiang Ye	枫香叶
TCMH594	Liquidambar formosana	Feng Xiang Zhi Chou Gao	枫香脂稠膏
TCMH310	Melia azedarach	Chuan Lian	川楝
TCMH1211	Melia azedarach	Ku Lian Pi	苦楝皮
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
TCMH544	Curcuma aeruginosa	E Zhu	莪术
TCMH740	Rhizoma curcumae	Guang Xi E Zhu	广西莪术
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
TCMH1770	Panax notoginseng	San Qi Gan Jin Gao	三七干浸膏
TCMH1771	Panax notoginseng	San Qi Gao Fen	三七膏粉
TCMH1772	Panax notoginseng	San Qi Hua	三七花
TCMH1774	Panax notoginseng	San Qi Jing Ye	三七茎叶
TCMH1776	Panax notoginseng	San Qi Ye	三七叶
TCMH2276	Elsholtzia splendens	Xiang Ru	香薷
TCMH309	Curcuma longa	Chuan Yu Jin	川郁金
TCMH1178	Citrus reticulata	Ju He	橘核
TCMH12	Artemisia argyi	Ai Ye	艾叶
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
TCMH264	Laggera pterodonta	Chu Ling Dan	臭灵丹
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
TCMH64	Piper nigrum	Bai Hu Jiao	白胡椒
TCMH839	Piper nigrum	Hei Hu Jiao	黑胡椒
TCMH511	Litsea cubeba	Dou Chi Jiang	豆豉姜
TCMH1812	Litsea cubeba	Shan Cang Zi	山苍子
TCMH1721	Panax ginseng	Ren Shen	人参
TCMH1728	Panax ginseng	Ren Shen Ye	人参叶
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
TCMH292	Notopterygium incisum	Chuan Qiang Huo	川羌活
TCMH188	Mentha haplocalyx	Bo He	薄荷
TCMH486	Syzygium aromaticum	Ding Xiang	丁香
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
TCMH2202	Schisandra chinensis	Wu Wei Zi	五味子
TCMH2203	Schisandra chinensis	Wu Wei Zi Chun Jin Gao	五味子醇浸膏
TCMH2204	Schisandra chinensis	Wu Wei Zi Jin Chu Wu	五味子浸出物
TCMH2205	Schisandra chinensis	Wu Wei Zi Jin Gao	五味子浸膏
TCMH2721	Perilla frutescens var. arguta	Zi Su Geng	紫苏梗
TCMH147	Glehnia littoralis	Bei Sha Shen	北沙参

Ingredient ID: TCMC232
Formula: C12H12N2O2

Common Name	1,2,3,4-Tetrahydro-Beta-Carboline-3-Carboxylic Acid
IUPAC Name	2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole-3-carboxylic acid
Canonical SMILES	OC(=O)C1NCc2c(C1)c1ccccc1[nH]2
Standard InCHI	InChI=1S/C12H12N2O2/c15-12(16)10-5-8-7-3-1-2-4-9(7)14-11(8)6-13-10/h1-4,10,13-14H,5-6H2,(H,15,16)
Standard InCHIKey	FSNCEEGOMTYXKY-UHFFFAOYSA-N
External Identifiers	ChEMBL [CHEMBL149177]; PubChem [98285];
Reference of Component-Ingredient Pair	N/A

Occurrence of the ingredient across TCM components

Component ID	Latin Name	Pinyin Name	Chinese Name
TCMH2710	Homo sapiens	Zi He Che	紫河车
TCMH2309	Allium macrostemon	Xie Bai	薤白
TCMH1184	Citrus reticulata	Ju Pi	橘皮
TCMH1734	Homo sapiens	Ren Zhong Bai	人中白
TCMH1178	Citrus reticulata	Ju He	橘核

Ingredient ID: TCMC2197
Formula: C11H12N2O2

Common Name	Tryptophan
IUPAC Name	(2S)-2-amino-3-(1H-indol-3-yl)propanoic acid
Canonical SMILES	OC(=O)[C@H](Cc1c[nH]c2c1cccc2)N
Standard InCHI	InChI=1S/C11H12N2O2/c12-9(11(14)15)5-7-6-13-10-4-2-1-3-8(7)10/h1-4,6,9,13H,5,12H2,(H,14,15)/t9-/m0/s1
Standard InCHIKey	QIVBCDIJIAJPQS-VIFPVBQESA-N
External Identifiers	ChEMBL [CHEMBL54976]; PubChem [6305];
Reference of Component-Ingredient Pair	N/A

Occurrence of the ingredient across TCM components

Component ID	Latin Name	Pinyin Name	Chinese Name
TCMH382	Allium sativum	Da Suan	大蒜
TCMH921	Polygonum cuspidatum	Hu Zhang	虎杖
TCMH1538	Baphicacanthus cusia	Nan Ban Lan Gen Jin Gao Fen	南板蓝根浸膏粉
TCMH2710	Homo sapiens	Zi He Che	紫河车
TCMH2215	Ficus simplicissima	Wu Zhi Mao Tao	五指毛桃
TCMH1894	Pinellia ternata	Sheng Ban Xia	生半夏
TCMH108	Perilla frutescens	Bai Su Zi	白苏子
TCMH2309	Allium macrostemon	Xie Bai	薤白
TCMH1601	Nelumbo nucifera	Ou Pian	藕片
TCMH1067	Glycine max	Jiang Tan	姜炭
TCMH1090	Brassica juncea	Jie Zi	芥子
TCMH2356	Daemonorops draco	Xue Xie	血蝎
TCMH1383	Onobrychis viciifolia	Lv Dou	绿豆
TCMH148	Glehnia littoralis	Bei Sha Shen Liu Jin Gao	北沙参流浸膏
TCMH1305	Laggera alata	Liu Ling Ju	六棱菊
TCMH79	Sinapis alba	Bai Jie Zi	白芥子
TCMH1512	Isatis indigotica	Mu Da Qing Ye	木大青叶
TCMH1734	Homo sapiens	Ren Zhong Bai	人中白
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
TCMH126	Isatis indigotica	Ban Lan	板蓝
TCMH127	Isatis indigotica	Ban Lan Gen	板蓝根
TCMH381	Isatis indigotica	Da Qing Ye	大青叶
TCMH1510	Isatis indigotica	Mu Ban Lan Gen	木板蓝根
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
TCMH1537	Baphicacanthus cusia	Nan Ban Lan Gen	南板蓝根
TCMH397	Glycine max	Dan Dou Gu	淡豆鼓
TCMH416	Glycine max	Dan Xiang Chi	淡香豉
TCMH515	Glycine max	Dou You	豆油
TCMH833	Glycine max	Hei Da Dou	黑大豆
TCMH1059	Glycine max	Jiang	姜
TCMH1062	Glycine max	Jiang Gao	姜膏
TCMH147	Glehnia littoralis	Bei Sha Shen	北沙参

Ingredient ID: TCMC2026
Formula: C23H22O6

Common Name	Rotenone
IUPAC Name	n.a.
Canonical SMILES	COc1cc2c(cc1OC)OC[C@@H]1[C@H]2C(=O)c2c(O1)c1C[C@@H](Oc1cc2)C(=C)C
Standard InCHI	InChI=1S/C23H22O6/c1-11(2)16-8-14-15(28-16)6-5-12-22(24)21-13-7-18(25-3)19(26-4)9-17(13)27-10-20(21)29-23(12)14/h5-7,9,16,20-21H,1,8,10H2,2-4H3/t16-,20-,21+/m1/s1
Standard InCHIKey	JUVIOZPCNVVQFO-HBGVWJBISA-N
External Identifiers	ChEMBL [CHEMBL429023]; PubChem [6758];
Reference of Component-Ingredient Pair	28728140

Occurrence of the ingredient across TCM components

Component ID	Latin Name	Pinyin Name	Chinese Name
TCMH2332	Spiraea japonica	Xiu Xian Ju	绣线菊
TCMH2749	Oxalis corniculata	Cu Jiang Cao	酢浆草
TCMH2309	Allium macrostemon	Xie Bai	薤白
TCMH1502	Agaricus campestris	Mo Gu	蘑菇

Ingredient ID: TCMC1807
Formula: C5H10O5

Common Name	Oxane-2,3,4,5-Tetrol
IUPAC Name	oxane-2,3,4,5-tetrol
Canonical SMILES	OC1COC(C(C1O)O)O
Standard InCHI	InChI=1S/C5H10O5/c6-2-1-10-5(9)4(8)3(2)7/h2-9H,1H2
Standard InCHIKey	SRBFZHDQGSBBOR-UHFFFAOYSA-N
External Identifiers	ChEMBL [CHEMBL14343]; PubChem [229];
Reference of Component-Ingredient Pair	N/A

Occurrence of the ingredient across TCM components

Component ID	Latin Name	Pinyin Name	Chinese Name
TCMH1343	Aloe vera	Lu Hui	芦荟
TCMH2309	Allium macrostemon	Xie Bai	薤白

Ingredient ID: TCMC1479
Formula: C6H12O5

Common Name	L-Fucose
IUPAC Name	(3S,4R,5S,6S)-6-methyloxane-2,3,4,5-tetrol
Canonical SMILES	O[C@@H]1[C@H](C)OC([C@H]([C@@H]1O)O)O
Standard InCHI	InChI=1S/C6H12O5/c1-2-3(7)4(8)5(9)6(10)11-2/h2-10H,1H3/t2-,3+,4+,5-,6?/m0/s1
Standard InCHIKey	SHZGCJCMOBCMKK-DHVFOXMCSA-N
External Identifiers	ChEMBL [CHEMBL469449]; PubChem [17106];
Reference of Component-Ingredient Pair	N/A

Occurrence of the ingredient across TCM components

Component ID	Latin Name	Pinyin Name	Chinese Name
TCMH793	Holothuria leucospilota	Hai Shen	海参
TCMH2137	Pogostemon cablin	Tu Huo Xiang	土藿香
TCMH2710	Homo sapiens	Zi He Che	紫河车
TCMH2309	Allium macrostemon	Xie Bai	薤白
TCMH1734	Homo sapiens	Ren Zhong Bai	人中白
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

Ingredient ID: TCMC1371
Formula: C16H10N2O2

Common Name	Indirubin
IUPAC Name	(3Z)-3-(3-oxo-1H-indol-2-ylidene)-1H-indol-2-one
Canonical SMILES	O=C1/C(=C2/C(=Nc3c2cccc3)O)/Nc2c1cccc2
Standard InCHI	InChI=1S/C16H10N2O2/c19-15-10-6-2-4-8-12(10)17-14(15)13-9-5-1-3-7-11(9)18-16(13)20/h1-8,17H,(H,18,20)/b14-13-
Standard InCHIKey	CRDNMYFJWFXOCH-YPKPFQOOSA-N
External Identifiers	ChEMBL [CHEMBL1276127]; PubChem [5318433];
Reference of Component-Ingredient Pair	23749163

Occurrence of the ingredient across TCM components

Component ID	Latin Name	Pinyin Name	Chinese Name
TCMH2332	Spiraea japonica	Xiu Xian Ju	绣线菊
TCMH2309	Allium macrostemon	Xie Bai	薤白
TCMH1512	Isatis indigotica	Mu Da Qing Ye	木大青叶
TCMH126	Isatis indigotica	Ban Lan	板蓝
TCMH127	Isatis indigotica	Ban Lan Gen	板蓝根
TCMH381	Isatis indigotica	Da Qing Ye	大青叶
TCMH1510	Isatis indigotica	Mu Ban Lan Gen	木板蓝根

Ingredient ID: TCMC1370
Formula: C16H10N2O2

Common Name	Indigo
IUPAC Name	(2E)-2-(3-oxo-1H-indol-2-ylidene)-1H-indol-3-one
Canonical SMILES	O=C1c2ccccc2N/C/1=C1/Nc2c(C1=O)cccc2
Standard InCHI	InChI=1S/C16H10N2O2/c19-15-9-5-1-3-7-11(9)17-13(15)14-16(20)10-6-2-4-8-12(10)18-14/h1-8,17-18H/b14-13+
Standard InCHIKey	COHYTHOBJLSHDF-BUHFOSPRSA-N
External Identifiers	ChEMBL [CHEMBL599552]; PubChem [5318432];
Reference of Component-Ingredient Pair	23749163

Occurrence of the ingredient across TCM components

Component ID	Latin Name	Pinyin Name	Chinese Name
TCMH1538	Baphicacanthus cusia	Nan Ban Lan Gen Jin Gao Fen	南板蓝根浸膏粉
TCMH2332	Spiraea japonica	Xiu Xian Ju	绣线菊
TCMH2309	Allium macrostemon	Xie Bai	薤白
TCMH1678	Indigo naturalis	Qing Dai	青黛
TCMH1512	Isatis indigotica	Mu Da Qing Ye	木大青叶
TCMH126	Isatis indigotica	Ban Lan	板蓝
TCMH127	Isatis indigotica	Ban Lan Gen	板蓝根
TCMH381	Isatis indigotica	Da Qing Ye	大青叶
TCMH1510	Isatis indigotica	Mu Ban Lan Gen	木板蓝根
TCMH1537	Baphicacanthus cusia	Nan Ban Lan Gen	南板蓝根

Ingredient ID: TCMC1269
Formula: C3H8O3

Common Name	Glycerin
IUPAC Name	propane-1,2,3-triol
Canonical SMILES	OCC(CO)O
Standard InCHI	InChI=1S/C3H8O3/c4-1-3(6)2-5/h3-6H,1-2H2
Standard InCHIKey	PEDCQBHIVMGVHV-UHFFFAOYSA-N
External Identifiers	ChEMBL [CHEMBL692]; PubChem [753];
Reference of Component-Ingredient Pair	22851446

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
TCMH2137	Pogostemon cablin	Tu Huo Xiang	土藿香
TCMH2072	Rhodomyrtus tomentosa	Tao Jin Niang Gen	桃金娘根
TCMH1343	Aloe vera	Lu Hui	芦荟
TCMH2710	Homo sapiens	Zi He Che	紫河车
TCMH2050	Punica granatum	Suan Shi Liu	酸石榴
TCMH577	Nidus vespae	Feng Fang	蜂房
TCMH1839	Panax ginseng	Shan Shen	山参
TCMH2309	Allium macrostemon	Xie Bai	薤白
TCMH1518	Chaenomeles sinensis	Mu Gua	木瓜
TCMH1121	Cardiospermum halicacabum	Jin Si Ku Lian	金丝苦楝
TCMH1118	Lygodium japonicum	Jin Sha Teng	金沙藤
TCMH668	Rhodomyrtus tomentosa	Gang Ren Zi	岗稔子
TCMH1734	Homo sapiens	Ren Zhong Bai	人中白
TCMH780	Lygodium japonicum	Hai Jin Sha	海金砂
TCMH781	Lygodium japonicum	Hai Jin Sha Cao	海金沙草
TCMH782	Lygodium japonicum	Hai Jin Sha Teng	海金沙藤
TCMH783	Lygodium japonicum	Hai Jin Sha Teng Gan Jin Gao	海金沙藤干浸膏
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
TCMH1721	Panax ginseng	Ren Shen	人参
TCMH1728	Panax ginseng	Ren Shen Ye	人参叶
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
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

Ingredient ID: TCMC1088
Formula: C11H12N2O2

Common Name	D-Tryptophan
IUPAC Name	(2R)-2-azaniumyl-3-(1H-indol-3-yl)propanoate
Canonical SMILES	OC(=O)[C@@H](Cc1c[nH]c2c1cccc2)N
Standard InCHI	InChI=1S/C11H12N2O2/c12-9(11(14)15)5-7-6-13-10-4-2-1-3-8(7)10/h1-4,6,9,13H,5,12H2,(H,14,15)/t9-/m1/s1
Standard InCHIKey	QIVBCDIJIAJPQS-SECBINFHSA-N
External Identifiers	ChEMBL [CHEMBL292303]; PubChem [6923517];
Reference of Component-Ingredient Pair	N/A

Occurrence of the ingredient across TCM components

Component ID	Latin Name	Pinyin Name	Chinese Name
TCMH382	Allium sativum	Da Suan	大蒜
TCMH1894	Pinellia ternata	Sheng Ban Xia	生半夏
TCMH108	Perilla frutescens	Bai Su Zi	白苏子
TCMH2309	Allium macrostemon	Xie Bai	薤白
TCMH1601	Nelumbo nucifera	Ou Pian	藕片
TCMH1067	Glycine max	Jiang Tan	姜炭
TCMH1090	Brassica juncea	Jie Zi	芥子
TCMH79	Sinapis alba	Bai Jie Zi	白芥子
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
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
TCMH397	Glycine max	Dan Dou Gu	淡豆鼓
TCMH416	Glycine max	Dan Xiang Chi	淡香豉
TCMH515	Glycine max	Dou You	豆油
TCMH833	Glycine max	Hei Da Dou	黑大豆
TCMH1059	Glycine max	Jiang	姜
TCMH1062	Glycine max	Jiang Gao	姜膏

Ingredient ID: TCMC1077
Formula: C6H12O6

Common Name	D-Mannose
IUPAC Name	(3S,4S,5S,6R)-6-(hydroxymethyl)oxane-2,3,4,5-tetrol
Canonical SMILES	OC[C@H]1OC(O)[C@H]([C@H]([C@@H]1O)O)O
Standard InCHI	InChI=1S/C6H12O6/c7-1-2-3(8)4(9)5(10)6(11)12-2/h2-11H,1H2/t2-,3-,4+,5+,6?/m1/s1
Standard InCHIKey	WQZGKKKJIJFFOK-QTVWNMPRSA-N
External Identifiers	ChEMBL [CHEMBL469448]; PubChem [18950];
Reference of Component-Ingredient Pair	29968805

Occurrence of the ingredient across TCM components

Component ID	Latin Name	Pinyin Name	Chinese Name
TCMH1633	Taraxacum mongolicum	Pu Gong Ying Jin Gao	蒲公英浸膏
TCMH1740	Cistanche deserticola	Rou Cong Rong	肉苁蓉
TCMH2710	Homo sapiens	Zi He Che	紫河车
TCMH1839	Panax ginseng	Shan Shen	山参
TCMH2309	Allium macrostemon	Xie Bai	薤白
TCMH2370	Commelina communis	Ya Zhi Cao	鸭跖草
TCMH1734	Homo sapiens	Ren Zhong Bai	人中白
TCMH978	Taraxacum mongolicum	Huang Miao	黄苗
TCMH1632	Taraxacum mongolicum	Pu Gong Ying	蒲公英
TCMH1721	Panax ginseng	Ren Shen	人参
TCMH1728	Panax ginseng	Ren Shen Ye	人参叶

Ingredient ID: TCMC1028
Formula: C6H10S2

Common Name	Diallyldisulfide
IUPAC Name	3-(prop-2-enyldisulfanyl)prop-1-ene
Canonical SMILES	C=CCSSCC=C
Standard InCHI	InChI=1S/C6H10S2/c1-3-5-7-8-6-4-2/h3-4H,1-2,5-6H2
Standard InCHIKey	PFRGXCVKLLPLIP-UHFFFAOYSA-N
External Identifiers	ChEMBL [CHEMBL366603]; PubChem [16590];
Reference of Component-Ingredient Pair	22138247

Occurrence of the ingredient across TCM components

Component ID	Latin Name	Pinyin Name	Chinese Name
TCMH382	Allium sativum	Da Suan	大蒜
TCMH1791	Loranthus parasiticus	Sang Ji Sheng	桑寄生
TCMH2309	Allium macrostemon	Xie Bai	薤白
TCMH2414	Allium cepa	Yang Cong Tou	洋葱头
TCMH1176	Allium tuberosum	Jiu Zi	韭子
TCMH1155	Allium tuberosum	Jiu Cai	韭菜
TCMH2413	Allium cepa	Yang Cong	洋葱

Ingredient ID: TCMC1027
Formula: C6H10S

Common Name	Diallyl Sulfide
IUPAC Name	3-prop-2-enylsulfanylprop-1-ene
Canonical SMILES	C=CCSCC=C
Standard InCHI	InChI=1S/C6H10S/c1-3-5-7-6-4-2/h3-4H,1-2,5-6H2
Standard InCHIKey	UBJVUCKUDDKUJF-UHFFFAOYSA-N
External Identifiers	ChEMBL [CHEMBL170458]; PubChem [11617];
Reference of Component-Ingredient Pair	22429928

Occurrence of the ingredient across TCM components

Component ID	Latin Name	Pinyin Name	Chinese Name
TCMH334	Allium fistulosum	Cong Bai	葱白
TCMH382	Allium sativum	Da Suan	大蒜
TCMH1791	Loranthus parasiticus	Sang Ji Sheng	桑寄生
TCMH2710	Homo sapiens	Zi He Che	紫河车
TCMH2309	Allium macrostemon	Xie Bai	薤白
TCMH2018	Bulbus allii fistulosi	Si Ji Cong Tou	四季葱头
TCMH2414	Allium cepa	Yang Cong Tou	洋葱头
TCMH1734	Homo sapiens	Ren Zhong Bai	人中白
TCMH2413	Allium cepa	Yang Cong	洋葱
TCMH333	Bulbus allii fistulosi	Cong	葱
TCMH336	Bulbus allii fistulosi	Cong Tou	葱头

Ingredient ID: TCMC1001
Formula: C23H22O6

Common Name	Deguelin
IUPAC Name	n.a.
Canonical SMILES	COc1cc2c(cc1OC)OC[C@@H]1[C@H]2C(=O)c2c(O1)c1C=CC(Oc1cc2)(C)C
Standard InCHI	InChI=1S/C23H22O6/c1-23(2)8-7-12-15(29-23)6-5-13-21(24)20-14-9-17(25-3)18(26-4)10-16(14)27-11-19(20)28-22(12)13/h5-10,19-20H,11H2,1-4H3/t19-,20+/m1/s1
Standard InCHIKey	ORDAZKGHSNRHTD-UXHICEINSA-N
External Identifiers	ChEMBL [CHEMBL393417]; PubChem [107935];
Reference of Component-Ingredient Pair	N/A

Occurrence of the ingredient across TCM components

Component ID	Latin Name	Pinyin Name	Chinese Name
TCMH2332	Spiraea japonica	Xiu Xian Ju	绣线菊
TCMH2309	Allium macrostemon	Xie Bai	薤白

Properties

Ingredient ID	Formulae	Name	MW	AlogP	MlogP	XlogP	# HBA	# HBD	PSA	# Rotatable Bond	# Ring	# Heacy Atom	Lipinski RO5 Violation
TCMC232	C12H12N2O2	1,2,3,4-Tetrahydro-Beta-Carboline-3-Carboxylic Acid	216.09	-1.1637	2.34	1.46	4	3	65.12	2	3	16	0
TCMC284	C10H16	1-Methyl-4-Prop-1-En-2-Ylcyclohexene	136.13	2.1424	2.56	3.729	0	0	0	3	1	10	0
TCMC632	C10H13N5O4	Adenosine	267.1	-2.2791	1.57	-1.809	9	4	139.54	6	3	19	0
TCMC656	C6H10OS2	Allicin	162.02	1.5076	1.79	0.237	1	0	61.58	5	0	9	0
TCMC657	C6H10S3	Allitridin	177.99	3.21	1.79	2.521	0	0	75.9	6	0	9	0
TCMC662	C4H5NS	Allyl Isothiocyanate	99.01	0.7592	1.68	1.721	1	0	44.45	2	0	6	0
TCMC671	C10H16	Alpha-Pinene	136.13	1.5162	2.56	4.177	0	0	0	3	1	10	0
TCMC1001	C23H22O6	Deguelin	394.14	0.0487	3.33	2.551	1	0	63.22	6	5	29	0
TCMC1027	C6H10S	Diallyl Sulfide	114.05	2.0288	2.01	2.011	0	0	25.3	4	0	7	0
TCMC1028	C6H10S2	Diallyldisulfide	146.02	2.6194	1.9	2.266	0	0	50.6	5	0	8	0
TCMC1077	C6H12O6	D-Mannose	180.06	-2.5134	1.46	-1.697	6	5	110.38	6	1	12	0
TCMC1088	C11H12N2O2	D-Tryptophan	204.09	-1.5048	2.23	-0.96	4	3	79.11	5	2	15	0
TCMC1269	C3H8O3	Glycerin	92.05	-1.4081	1.46	-1.88	3	3	60.69	5	0	6	0
TCMC1370	C16H10N2O2	Indigo	262.07	-1.7942	2.78	4.628	4	2	58.2	0	4	20	0
TCMC1371	C16H10N2O2	Indirubin	262.07	-0.9404	2.78	4.524	4	2	61.69	1	4	20	0
TCMC1479	C6H12O5	L-Fucose	164.07	-2.0134	1.57	-0.994	5	4	90.15	5	1	11	0
TCMC1807	C5H10O5	Oxane-2,3,4,5-Tetrol	150.05	-2.0027	1.46	-1.454	5	4	90.15	4	1	10	0
TCMC2026	C23H22O6	Rotenone	394.14	0.1527	3.33	2.076	1	0	63.22	6	5	29	0
TCMC2197	C11H12N2O2	Tryptophan	204.09	-1.5048	2.23	-0.96	4	3	79.11	5	2	15	0
TCMC2324	C10H16	Limonene	136.13	2.1424	2.56	3.729	0	0	0	3	1	10	0
TCMC2490	C23H20O6	Dehydrodeguelin	392.13	0.0692	3.33	3.204	1	0	63.22	6	5	29	0
TCMC3199	C4H8S3	Allyl Methyl Trisulfide	151.9788133	2.5932	1.57	2.171	0	0	75.9	4	0	7	0
TCMC3415	C6H14S2	Propyl Isopropyl Disulfide	150.0536924	1.0083	1.9	2.937	0	0	50.6	4	0	8	0
TCMC4004	C6H12S	3-[(1-Methylethyl)Thio]-1-Propene	116.0659714	1.3619	2.01	2.316	0	0	25.3	3	0	7	0
TCMC6882	C24H48O2	21-Methyl Tricosanoic Acid	367.3576057	-5.6265	3.88	11.58	2	0	40.13	21	0	26	2
TCMC7203	C45H74O19	Macrostemonoside L	918.4824301	-4.6678	4.32	1.324	19	12	307.37	13	8	64	3
TCMC7235	C51H84O23	Macrostemonoside A	1064.540339	-6.6468	4.54	1.158	23	13	355.29	12	10	74	3
TCMC7335	C20H32O4	Prostaglandin A1	335.2222345	-3.0045	3.22	3.851	4	1	77.43	13	1	24	1

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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: Allium macrostemon 薤白

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: TCMC7335

Occurrence of the ingredient across TCM components

Ingredient ID: TCMC7235

Occurrence of the ingredient across TCM components

Ingredient ID: TCMC7203

Occurrence of the ingredient across TCM components

Ingredient ID: TCMC6882

Occurrence of the ingredient across TCM components

Ingredient ID: TCMC671

Occurrence of the ingredient across TCM components

Ingredient ID: TCMC662

Occurrence of the ingredient across TCM components

Ingredient ID: TCMC657

Occurrence of the ingredient across TCM components

Ingredient ID: TCMC656

Occurrence of the ingredient across TCM components

Ingredient ID: TCMC632

Occurrence of the ingredient across TCM components

Ingredient ID: TCMC4004

Occurrence of the ingredient across TCM components

Ingredient ID: TCMC3415

Occurrence of the ingredient across TCM components

Ingredient ID: TCMC3199

Occurrence of the ingredient across TCM components

Ingredient ID: TCMC284

Occurrence of the ingredient across TCM components

Ingredient ID: TCMC2490

Occurrence of the ingredient across TCM components

Ingredient ID: TCMC2324

Occurrence of the ingredient across TCM components

Ingredient ID: TCMC232

Occurrence of the ingredient across TCM components

Ingredient ID: TCMC2197

Occurrence of the ingredient across TCM components

Ingredient ID: TCMC2026

Occurrence of the ingredient across TCM components

Ingredient ID: TCMC1807

Occurrence of the ingredient across TCM components

Ingredient ID: TCMC1479

Occurrence of the ingredient across TCM components

Ingredient ID: TCMC1371

Occurrence of the ingredient across TCM components

Ingredient ID: TCMC1370

Occurrence of the ingredient across TCM components

Ingredient ID: TCMC1269

Occurrence of the ingredient across TCM components

Ingredient ID: TCMC1088

Occurrence of the ingredient across TCM components

Ingredient ID: TCMC1077

Occurrence of the ingredient across TCM components

Ingredient ID: TCMC1028

Occurrence of the ingredient across TCM components

Ingredient ID: TCMC1027

Occurrence of the ingredient across TCM components

Ingredient ID: TCMC1001

Occurrence of the ingredient across TCM components

Properties

Download Data