TCM-ID Component

Description of the Component

Component ID	TCMH1254
Latin Name	Amaranthus spinosus
English Name	NA
Chinese Pinyin Name	Le Xian Cai
中文名	勒苋菜
TCM Properties
TCM Meridians
Therapeutic Class English
Therapeutic Class Chinese
Functions
Toxicity	NA
Geo-authentic habitats (道地产区)	NA
Reference	Chinese Classical Prescriptions
Barcode ID	MHPAD801-09
Barcode Source	BOLDSYSTEMS

TCM Prescriptions with the Component

Prescription ID	Prescription English Name	Prescription Chinese Name
TCMFx5060	San Qi Hua Zhi Pills	三七化痔丸

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
TCMT101	PTPN1	Protein-tyrosine phosphatase 1B	Hydrolase	P18031
TCMT11	HIF1A	Hypoxia-inducible factor 1 alpha	Transcription factor	Q16665
TCMT125	GBA	Beta-glucocerebrosidase	Hydrolase	P04062
TCMT131	ACHE	Acetylcholinesterase	Hydrolase	P22303
TCMT150	RORC	Nuclear receptor ROR-gamma	Nuclear receptor	P51449
TCMT156	CYP19A1	Cytochrome P450 19A1	Oxidoreductase	P11511
TCMT17	POLB	DNA polymerase beta	Transferase	P06746
TCMT187	AR	Androgen Receptor	Nuclear receptor	P10275
TCMT2	MAPT	Microtubule-associated protein tau	Unclassified	P10636
TCMT212	SRC	Tyrosine-protein kinase SRC	Kinase	P12931
TCMT223	AKR1B1	Aldose reductase	Oxidoreductase	P15121
TCMT236	ESR2	Estrogen receptor beta	Nuclear receptor	Q92731
TCMT239	PIM1	Serine/threonine-protein kinase PIM1	Kinase	P11309
TCMT240	AMY1A	Salivary alpha-amylase	Unclassified	P04745
TCMT241	CHRNA7	Neuronal acetylcholine receptor protein alpha-7 subunit	Ion channel	P36544
TCMT261	DAPK1	Death-associated protein kinase 1	Kinase	P53355
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
TCMT289	TBXAS1	Thromboxane-A synthase	Isomerase	P24557
TCMT3	ALOX15	Arachidonate 15-lipoxygenase	Oxidoreductase	P16050
TCMT31	CYP2C19	Cytochrome P450 2C19	Oxidoreductase	P33261
TCMT33	CYP3A4	Cytochrome P450 3A4	Oxidoreductase	P08684
TCMT344	AOX1	Aldehyde oxidase	Oxidoreductase	Q06278
TCMT359	FYN	Tyrosine-protein kinase FYN	Kinase	P06241
TCMT423	EGFR	Epidermal growth factor receptor erbB1	Kinase	P00533
TCMT479	AKT1	Serine/threonine-protein kinase AKT	Kinase	P31749
TCMT558	TOP2A	DNA topoisomerase II alpha	Isomerase	P11388
TCMT567	DNMT1	DNA (cytosine-5)-methyltransferase 1	Transferase	P26358
TCMT591	ESRRA	Estrogen-related receptor alpha	Nuclear receptor	P11474
TCMT613	NR3C1	Glucocorticoid receptor	Nuclear receptor	P04150
TCMT65	HSD17B1	Estradiol 17-beta-dehydrogenase 1	Oxidoreductase	P14061
TCMT66	HSD17B2	Estradiol 17-beta-dehydrogenase 2	Oxidoreductase	P37059
TCMT67	PPARG	Peroxisome proliferator-activated receptor gamma	Nuclear receptor	P37231
TCMT714	ODC1	Ornithine decarboxylase	Lyase	P11926
TCMT8	KDM4E	Lysine-specific demethylase 4D-like	Oxidoreductase	B2RXH2
TCMT80	MAPK1	MAP kinase ERK2	Kinase	P28482
TCMT82	ESR1	Estrogen receptor alpha	Nuclear receptor	P03372
TCMT87	CYP2C9	Cytochrome P450 2C9	Oxidoreductase	P11712
TCMT910	ESRRB	Estrogen-related receptor beta	Nuclear receptor	O95718
TCMT99	SHBG	Testis-specific androgen-binding protein	Unclassified	P04278

Targeted Pathogenic Microbes by the Ingredient of Component

Target ID	Target Name
TCMT1090	Human immunodeficiency virus type 1 integrase
TCMT1092	Fatty acid synthase
TCMT1099	Neuraminidase
TCMT1246	Escherichia coli
TCMT1251	Candida albicans
TCMT1438	Plasmodium falciparum
TCMT1458	Filobasidiella neoformans

Ingredient Structrues

Ingredient ID: TCMC981
Formula: C11H14N2O

Common Name	Cytisine
IUPAC Name	n.a.
Canonical SMILES	O=c1cccc2n1C[C@@H]1CNC[C@H]2C1
Standard InCHI	InChI=1S/C11H14N2O/c14-11-3-1-2-10-9-4-8(5-12-6-9)7-13(10)11/h1-3,8-9,12H,4-7H2/t8-,9+/m0/s1
Standard InCHIKey	ANJTVLIZGCUXLD-DTWKUNHWSA-N
External Identifiers	ChEMBL [CHEMBL497939]; PubChem [10235];
Reference of Component-Ingredient Pair	22978215

Occurrence of the ingredient across TCM components

Component ID	Latin Name	Pinyin Name	Chinese Name
TCMH2143	Sophora flavescens	Tu Ku Shen	土苦参
TCMH1254	Amaranthus spinosus	Le Xian Cai	勒苋菜
TCMH1215	Sophora flavescens	Ku Shen	苦参
TCMH2080	Sophora flavescens	Teng Ku Shen	藤苦参
TCMH325	Amaranthus spinosus	Ci Wan	刺苋

Ingredient ID: TCMC676
Formula: C20H16O5

Common Name	Alpinumisoflavone
IUPAC Name	5-hydroxy-7-(4-hydroxyphenyl)-2,2-dimethylpyrano[3,2-g]chromen-6-one
Canonical SMILES	Oc1ccc(cc1)c1coc2c(c1=O)c(O)c1c(c2)OC(C=C1)(C)C
Standard InCHI	InChI=1S/C20H16O5/c1-20(2)8-7-13-15(25-20)9-16-17(18(13)22)19(23)14(10-24-16)11-3-5-12(21)6-4-11/h3-10,21-22H,1-2H3
Standard InCHIKey	RQAMSFTXEFSBPK-UHFFFAOYSA-N
External Identifiers	ChEMBL [CHEMBL238628]; PubChem [5490139];
Reference of Component-Ingredient Pair	N/A

Occurrence of the ingredient across TCM components

Component ID	Latin Name	Pinyin Name	Chinese Name
TCMH266	Clerodendrum bungei	Chu Mu Dan	臭牡丹
TCMH2143	Sophora flavescens	Tu Ku Shen	土苦参
TCMH1254	Amaranthus spinosus	Le Xian Cai	勒苋菜
TCMH423	Embelia parviflora	Dang Gui Teng	当归藤
TCMH1486	Ephedra sinica	Mi Ma Huang	蜜麻黄
TCMH693	Cudrania cochinchinensis	Gou Ji	狗脊
TCMH1398	Ephedra sinica	Ma Huang	麻黄
TCMH1399	Ephedra sinica	Ma Huang Gao	麻黄膏
TCMH1400	Ephedra sinica	Ma Huang Gen	麻黄根
TCMH1401	Ephedra sinica	Ma Huang Jin Gao	麻黄浸膏
TCMH1215	Sophora flavescens	Ku Shen	苦参
TCMH2080	Sophora flavescens	Teng Ku Shen	藤苦参
TCMH325	Amaranthus spinosus	Ci Wan	刺苋

Ingredient ID: TCMC585
Formula: C16H12O5

Common Name	7-Hydroxy-3-(4-Hydroxyphenyl)-5-Methoxychromen-4-One
IUPAC Name	7-hydroxy-3-(4-hydroxyphenyl)-5-methoxychromen-4-one
Canonical SMILES	COc1cc(O)cc2c1c(=O)c(co2)c1ccc(cc1)O
Standard InCHI	InChI=1S/C16H12O5/c1-20-13-6-11(18)7-14-15(13)16(19)12(8-21-14)9-2-4-10(17)5-3-9/h2-8,17-18H,1H3
Standard InCHIKey	YSINCDVRUMTOPK-UHFFFAOYSA-N
External Identifiers	ChEMBL [CHEMBL1479463]; PubChem [5748551];
Reference of Component-Ingredient Pair	N/A

Occurrence of the ingredient across TCM components

Component ID	Latin Name	Pinyin Name	Chinese Name
TCMH1254	Amaranthus spinosus	Le Xian Cai	勒苋菜
TCMH325	Amaranthus spinosus	Ci Wan	刺苋

Ingredient ID: TCMC2612
Formula: C20H18O5

Common Name	Wighteone
IUPAC Name	5,7-dihydroxy-3-(4-hydroxyphenyl)-6-(3-methylbut-2-enyl)chromen-4-one
Canonical SMILES	CC(=CCc1c(O)cc2c(c1O)c(=O)c(co2)c1ccc(cc1)O)C
Standard InCHI	InChI=1S/C20H18O5/c1-11(2)3-8-14-16(22)9-17-18(19(14)23)20(24)15(10-25-17)12-4-6-13(21)7-5-12/h3-7,9-10,21-23H,8H2,1-2H3
Standard InCHIKey	KIMDVVKVNNSHGZ-UHFFFAOYSA-N
External Identifiers	ChEMBL [CHEMBL393222]; PubChem [5281814];
Reference of Component-Ingredient Pair	N/A

Occurrence of the ingredient across TCM components

Component ID	Latin Name	Pinyin Name	Chinese Name
TCMH2143	Sophora flavescens	Tu Ku Shen	土苦参
TCMH1254	Amaranthus spinosus	Le Xian Cai	勒苋菜
TCMH1033	Centella asiatica	Ji Xue Cao	积雪草
TCMH693	Cudrania cochinchinensis	Gou Ji	狗脊
TCMH2135	Glycyrrhiza uralensis	Tu Gan Cao	土甘草
TCMH1215	Sophora flavescens	Ku Shen	苦参
TCMH2080	Sophora flavescens	Teng Ku Shen	藤苦参
TCMH325	Amaranthus spinosus	Ci Wan	刺苋
TCMH628	Glycyrrhiza uralensis	Gan Cao	甘草
TCMH629	Glycyrrhiza uralensis	Gan Cao Fen	甘草粉
TCMH630	Glycyrrhiza uralensis	Gan Cao Gan Gao	甘草干膏
TCMH631	Glycyrrhiza uralensis	Gan Cao Gan Gao Fen	甘草干膏粉
TCMH632	Glycyrrhiza uralensis	Gan Cao Gan Jin Gao	甘草干浸膏
TCMH633	Glycyrrhiza uralensis	Gan Cao Gao	甘草膏
TCMH634	Glycyrrhiza uralensis	Gan Cao Jie	甘草节
TCMH635	Glycyrrhiza uralensis	Gan Cao Jin Gao	甘草浸膏
TCMH636	Glycyrrhiza uralensis	Gan Cao Liu Jin Gao	甘草流浸膏
TCMH1475	Glycyrrhiza uralensis	Mi Gan Cao	蜜甘草
TCMH1899	Glycyrrhiza uralensis	Sheng Gan Cao	生甘草

Ingredient ID: TCMC2206
Formula: C20H18O6

Common Name	Uncinanone A
IUPAC Name	3-(2,4-dihydroxyphenyl)-5,7-dihydroxy-6-(3-methylbut-2-enyl)chromen-4-one
Canonical SMILES	CC(=CCc1c(O)cc2c(c1O)c(=O)c(co2)c1ccc(cc1O)O)C
Standard InCHI	InChI=1S/C20H18O6/c1-10(2)3-5-13-16(23)8-17-18(19(13)24)20(25)14(9-26-17)12-6-4-11(21)7-15(12)22/h3-4,6-9,21-24H,5H2,1-2H3
Standard InCHIKey	MMPVAPMCVABQPS-UHFFFAOYSA-N
External Identifiers	ChEMBL [CHEMBL549617]; PubChem [5281797];
Reference of Component-Ingredient Pair	N/A

Occurrence of the ingredient across TCM components

Component ID	Latin Name	Pinyin Name	Chinese Name
TCMH266	Clerodendrum bungei	Chu Mu Dan	臭牡丹
TCMH2143	Sophora flavescens	Tu Ku Shen	土苦参
TCMH1254	Amaranthus spinosus	Le Xian Cai	勒苋菜
TCMH423	Embelia parviflora	Dang Gui Teng	当归藤
TCMH1486	Ephedra sinica	Mi Ma Huang	蜜麻黄
TCMH1398	Ephedra sinica	Ma Huang	麻黄
TCMH1399	Ephedra sinica	Ma Huang Gao	麻黄膏
TCMH1400	Ephedra sinica	Ma Huang Gen	麻黄根
TCMH1401	Ephedra sinica	Ma Huang Jin Gao	麻黄浸膏
TCMH1215	Sophora flavescens	Ku Shen	苦参
TCMH2080	Sophora flavescens	Teng Ku Shen	藤苦参
TCMH325	Amaranthus spinosus	Ci Wan	刺苋

Ingredient ID: TCMC2162
Formula: CH4N2S

Common Name	Thiourea
IUPAC Name	thiourea
Canonical SMILES	NC(=N)S
Standard InCHI	InChI=1S/CH4N2S/c2-1(3)4/h(H4,2,3,4)
Standard InCHIKey	UMGDCJDMYOKAJW-UHFFFAOYSA-N
External Identifiers	ChEMBL [CHEMBL260876]; PubChem [2723790];
Reference of Component-Ingredient Pair	N/A

Occurrence of the ingredient across TCM components

Component ID	Latin Name	Pinyin Name	Chinese Name
TCMH1254	Amaranthus spinosus	Le Xian Cai	勒苋菜
TCMH325	Amaranthus spinosus	Ci Wan	刺苋

Ingredient ID: TCMC1236
Formula: C15H10O5

Common Name	Genistein
IUPAC Name	5,7-dihydroxy-3-(4-hydroxyphenyl)chromen-4-one
Canonical SMILES	Oc1ccc(cc1)c1coc2c(c1=O)c(O)cc(c2)O
Standard InCHI	InChI=1S/C15H10O5/c16-9-3-1-8(2-4-9)11-7-20-13-6-10(17)5-12(18)14(13)15(11)19/h1-7,16-18H
Standard InCHIKey	TZBJGXHYKVUXJN-UHFFFAOYSA-N
External Identifiers	ChEMBL [CHEMBL44]; PubChem [5280961];
Reference of Component-Ingredient Pair	29624291

Occurrence of the ingredient across TCM components

Component ID	Latin Name	Pinyin Name	Chinese Name
TCMH945	Sophora japonica	Huai Zhi	槐枝
TCMH1165	Murraya paniculata	Jiu Li Xiang	九里香
TCMH2143	Sophora flavescens	Tu Ku Shen	土苦参
TCMH733	Desmodium styracifolium	Guang Jin Qian Cao	广金钱草
TCMH679	Pueraria lobata	Ge Hua	葛花
TCMH463	Sanguisorba officinalis	Di Yu Tan	地榆炭
TCMH1254	Amaranthus spinosus	Le Xian Cai	勒苋菜
TCMH2710	Homo sapiens	Zi He Che	紫河车
TCMH409	Salvia miltiorrhiza	Dan Shen Jin Gao	丹参浸膏
TCMH2726	Pterocarpus indicus	Zi Tan	紫檀
TCMH1067	Glycine max	Jiang Tan	姜炭
TCMH970	Vitex negundo	Huang Jing Zi	黄荆子
TCMH494	Cordyceps sinensis	Dong Chong Xia Cao	冬虫夏草
TCMH2135	Glycyrrhiza uralensis	Tu Gan Cao	土甘草
TCMH2593	Octopus vulgaris	Zhang Yu	章鱼
TCMH1734	Homo sapiens	Ren Zhong Bai	人中白
TCMH1215	Sophora flavescens	Ku Shen	苦参
TCMH2080	Sophora flavescens	Teng Ku Shen	藤苦参
TCMH938	Sophora japonica	Huai Hua	槐花
TCMH940	Sophora japonica	Huai Jiao	槐角
TCMH941	Sophora japonica	Huai Mi	槐米
TCMH462	Sanguisorba officinalis	Di Yu	地榆
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
TCMH407	Salvia miltiorrhiza	Dan Shen	丹参
TCMH408	Salvia miltiorrhiza	Dan Shen Gan Jin Gao	丹参干浸膏
TCMH325	Amaranthus spinosus	Ci Wan	刺苋
TCMH628	Glycyrrhiza uralensis	Gan Cao	甘草
TCMH629	Glycyrrhiza uralensis	Gan Cao Fen	甘草粉
TCMH630	Glycyrrhiza uralensis	Gan Cao Gan Gao	甘草干膏
TCMH631	Glycyrrhiza uralensis	Gan Cao Gan Gao Fen	甘草干膏粉
TCMH632	Glycyrrhiza uralensis	Gan Cao Gan Jin Gao	甘草干浸膏
TCMH633	Glycyrrhiza uralensis	Gan Cao Gao	甘草膏
TCMH634	Glycyrrhiza uralensis	Gan Cao Jie	甘草节
TCMH635	Glycyrrhiza uralensis	Gan Cao Jin Gao	甘草浸膏
TCMH636	Glycyrrhiza uralensis	Gan Cao Liu Jin Gao	甘草流浸膏
TCMH1475	Glycyrrhiza uralensis	Mi Gan Cao	蜜甘草
TCMH1899	Glycyrrhiza uralensis	Sheng Gan Cao	生甘草
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

Properties

Ingredient ID	Formulae	Name	MW	AlogP	MlogP	XlogP	# HBA	# HBD	PSA	# Rotatable Bond	# Ring	# Heacy Atom
TCMC585	C16H12O5	7-Hydroxy-3-(4-Hydroxyphenyl)-5-Methoxychromen-4-One	284.07	-1.6391	2.67	2.031	1	2	75.99	5	3	21
TCMC676	C20H16O5	Alpinumisoflavone	336.1	-0.6795	3.11	2.912	1	2	75.99	5	4	25
TCMC981	C11H14N2O	Cytisine	190.11	-1.1881	2.34	-0.251	3	1	32.34	0	3	14
TCMC1236	C15H10O5	Genistein	270.05	-2.0476	2.56	1.512	1	3	86.99	4	3	20
TCMC2162	CH4N2S	Thiourea	76.01	0.5528	1.24	0.067	2	2	88.67	2	0	4
TCMC2206	C20H18O6	Uncinanone A	354.11	-0.6305	3	2.019	1	4	107.22	9	3	26
TCMC2612	C20H18O5	Wighteone	338.12	-0.1702	3.11	2.982	1	3	86.99	8	3	25

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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: Amaranthus spinosus 勒苋菜

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: TCMC981

Occurrence of the ingredient across TCM components

Ingredient ID: TCMC676

Occurrence of the ingredient across TCM components

Ingredient ID: TCMC585

Occurrence of the ingredient across TCM components

Ingredient ID: TCMC2612

Occurrence of the ingredient across TCM components

Ingredient ID: TCMC2206

Occurrence of the ingredient across TCM components

Ingredient ID: TCMC2162

Occurrence of the ingredient across TCM components

Ingredient ID: TCMC1236

Occurrence of the ingredient across TCM components

Properties

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