TCM-ID Component

Description of the Component

Component ID	TCMH1577
Latin Name	Bubalus bubalis
English Name	Buffalo horn
Chinese Pinyin Name	Niu Jiao Tan
中文名	牛角炭
TCM Properties
TCM Meridians
Therapeutic Class English
Therapeutic Class Chinese
Functions
Toxicity	NA
Geo-authentic habitats (道地产区)	NA
Reference	CFDA
Barcode ID	GBMA0080-06
Barcode Source	BOLDSYSTEMS

TCM Prescriptions with the Component

Prescription ID	Prescription English Name	Prescription Chinese Name
TCMFx3826	Dai Zheng Pills	带症丸

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
TCMT105	SLC15A2	Solute carrier family 15 member 2	Transporter	Q16348
TCMT11	HIF1A	Hypoxia-inducible factor 1 alpha	Transcription factor	Q16665
TCMT125	GBA	Beta-glucocerebrosidase	Hydrolase	P04062
TCMT13	APEX1	DNA-(apurinic or apyrimidinic site) lyase	Lyase	P27695
TCMT150	RORC	Nuclear receptor ROR-gamma	Nuclear receptor	P51449
TCMT156	CYP19A1	Cytochrome P450 19A1	Oxidoreductase	P11511
TCMT162	UGT1A1	UDP-glucuronosyltransferase 1-1	Transferase	P22309
TCMT175	GPBAR1	G-protein coupled bile acid receptor 1	GPCR	Q8TDU6
TCMT187	AR	Androgen Receptor	Nuclear receptor	P10275
TCMT2	MAPT	Microtubule-associated protein tau	Unclassified	P10636
TCMT213	SLC22A1	Solute carrier family 22 member 1	Transporter	O15245
TCMT223	AKR1B1	Aldose reductase	Oxidoreductase	P15121
TCMT243	ADRA2C	Alpha-2c adrenergic receptor	GPCR	P18825
TCMT247	ADRA2A	Alpha-2a adrenergic receptor	GPCR	P08913
TCMT248	CXCL8	Interleukin-8	Unclassified	P10145
TCMT267	GABRR1	GABA receptor rho-1 subunit	Ion channel	P24046
TCMT27	DRD1	Dopamine D1 receptor	GPCR	P21728
TCMT273	NR1H4	Bile acid receptor FXR	Nuclear receptor	Q96RI1
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
TCMT279	VDR	Vitamin D receptor	Nuclear receptor	P11473
TCMT297	FABP4	Fatty acid binding protein adipocyte	Unclassified	P15090
TCMT298	FABP3	Fatty acid binding protein muscle	Hydrolase	P05413
TCMT33	CYP3A4	Cytochrome P450 3A4	Oxidoreductase	P08684
TCMT341	NR1I2	Pregnane X receptor	Nuclear receptor	O75469
TCMT38	DRD2	Dopamine D2 receptor	GPCR	P14416
TCMT42	KMT2A	Histone-lysine N-methyltransferase MLL	Transferase	Q03164
TCMT559	ADRB2	Beta-2 adrenergic receptor	GPCR	P07550
TCMT588	DAO	D-amino-acid oxidase	Oxidoreductase	P14920
TCMT6	NFKB1	Nuclear factor NF-kappa-B p105 subunit	Transcription factor	P19838
TCMT63	PPARA	Peroxisome proliferator-activated receptor alpha	Nuclear receptor	Q07869
TCMT64	PPARD	Peroxisome proliferator-activated receptor delta	Nuclear receptor	Q03181
TCMT643	ADRA1A	Alpha-1a adrenergic receptor	GPCR	P35348
TCMT647	ADRA2B	Alpha-2b adrenergic receptor	GPCR	P18089
TCMT650	ADRA1B	Alpha-1b adrenergic receptor	GPCR	P35368
TCMT67	PPARG	Peroxisome proliferator-activated receptor gamma	Nuclear receptor	P37231
TCMT69	THRB	Thyroid hormone receptor beta-1	Nuclear receptor	P10828
TCMT737	APOBEC3G	DNA dC->dU-editing enzyme APOBEC-3G	Unclassified	Q9HC16
TCMT796	PCNA	Proliferating cell nuclear antigen	Unclassified	P12004
TCMT80	MAPK1	MAP kinase ERK2	Kinase	P28482
TCMT808	FABP5	Fatty acid binding protein epidermal	Unclassified	Q01469
TCMT809	FABP2	Fatty acid binding protein intestinal	Unclassified	P12104
TCMT810	TLR2	Toll-like receptor 2	Unclassified	O60603
TCMT864	THRA	Thyroid hormone receptor alpha	Nuclear receptor	P10827

Targeted Pathogenic Microbes by the Ingredient of Component

Target ID	Target Name
TCMT1170	Enterobacter cloacae
TCMT1176	Streptococcus pneumoniae
TCMT1177	Haemophilus influenzae
TCMT1193	Staphylococcus
TCMT1194	Shigella sonnei
TCMT1195	Streptococcus pasteurianus
TCMT1196	Salmonella
TCMT1197	Shigella sp.
TCMT1198	Serratia marcescens
TCMT1218	Staphylococcus aureus
TCMT1223	Staphylococcus epidermidis
TCMT1224	Proteus mirabilis
TCMT1226	Klebsiella pneumoniae
TCMT1227	Streptococcus
TCMT1229	Enterococcus faecalis
TCMT1232	Pseudomonas aeruginosa
TCMT1243	Aspergillus flavus
TCMT1246	Escherichia coli
TCMT1251	Candida albicans
TCMT1361	Neisseria meningitidis
TCMT1382	Plasmodium falciparum (isolate K1 / Thailand)
TCMT1412	Salmonella typhimurium
TCMT1442	Leishmania donovani
TCMT1448	Enterobacter aerogenes
TCMT1454	Bacillus subtilis

Ingredient Structrues

Ingredient ID: TCMC953
Formula: C4H7N3O

Common Name	Creatinine
IUPAC Name	2-amino-3-methyl-4H-imidazol-5-one
Canonical SMILES	OC1=NC(=N)N(C1)C
Standard InCHI	InChI=1S/C4H7N3O/c1-7-2-3(8)6-4(7)5/h2H2,1H3,(H2,5,6,8)
Standard InCHIKey	DDRJAANPRJIHGJ-UHFFFAOYSA-N
External Identifiers	ChEMBL [CHEMBL65567]; PubChem [588];
Reference of Component-Ingredient Pair	N/A

Occurrence of the ingredient across TCM components

Component ID	Latin Name	Pinyin Name	Chinese Name
TCMH316	Ailanthi cortex	Chun Pi	椿皮
TCMH2710	Homo sapiens	Zi He Che	紫河车
TCMH1999	Bubalus bubalis	Shui Niu Jiao Nong Suo Fen	水牛角浓缩粉
TCMH1263	Cyprinus carpio	Li Yu	鲤鱼
TCMH1502	Agaricus campestris	Mo Gu	蘑菇
TCMH1575	Bubalus bubalis	Niu Jiao Fen	牛角粉
TCMH1576	Bubalus bubalis	Niu Jiao Jian Fen	牛角尖粉
TCMH1577	Bubalus bubalis	Niu Jiao Tan	牛角炭
TCMH1997	Bubalus bubalis	Shui Niu Jiao	水牛角
TCMH1998	Bubalus bubalis	Shui Niu Jiao Gan Jin Gao	水牛角干浸膏
TCMH1734	Homo sapiens	Ren Zhong Bai	人中白

Ingredient ID: TCMC903
Formula: C24H40O5

Common Name	Cholic Acid
IUPAC Name	(4R)-4-[(3R,5S,7R,8R,9S,10S,12S,13R,14S,17R)-3,7,12-trihydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]pentanoic acid
Canonical SMILES	O[C@@H]1CC[C@]2([C@@H](C1)C[C@H]([C@@H]1[C@@H]2C[C@H](O)[C@]2([C@H]1CC[C@@H]2[C@@H](CCC(=O)O)C)C)O)C
Standard InCHI	InChI=1S/C24H40O5/c1-13(4-7-21(28)29)16-5-6-17-22-18(12-20(27)24(16,17)3)23(2)9-8-15(25)10-14(23)11-19(22)26/h13-20,22,25-27H,4-12H2,1-3H3,(H,28,29)/t13-,14+,15-,16-,17+,18+,19-,20+,22+,23+,24-/m1/s1
Standard InCHIKey	BHQCQFFYRZLCQQ-OELDTZBJSA-N
External Identifiers	ChEMBL [CHEMBL205596]; PubChem [221493];
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
TCMH1999	Bubalus bubalis	Shui Niu Jiao Nong Suo Fen	水牛角浓缩粉
TCMH1716	Calculus bovis artificiosus	Ren Gong Niu Huang	人工牛黄
TCMH1575	Bubalus bubalis	Niu Jiao Fen	牛角粉
TCMH1576	Bubalus bubalis	Niu Jiao Jian Fen	牛角尖粉
TCMH1577	Bubalus bubalis	Niu Jiao Tan	牛角炭
TCMH1997	Bubalus bubalis	Shui Niu Jiao	水牛角
TCMH1998	Bubalus bubalis	Shui Niu Jiao Gan Jin Gao	水牛角干浸膏
TCMH1734	Homo sapiens	Ren Zhong Bai	人中白

Ingredient ID: TCMC885
Formula: C16H17N3O4S

Common Name	Cephalexin
IUPAC Name	(6R,7R)-7-[[(2R)-2-amino-2-phenylacetyl]amino]-3-methyl-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid
Canonical SMILES	N[C@@H](C(=N[C@@H]1C(=O)N2[C@@H]1SCC(=C2C(=O)O)C)O)c1ccccc1
Standard InCHI	InChI=1S/C16H17N3O4S/c1-8-7-24-15-11(14(21)19(15)12(8)16(22)23)18-13(20)10(17)9-5-3-2-4-6-9/h2-6,10-11,15H,7,17H2,1H3,(H,18,20)(H,22,23)/t10-,11-,15-/m1/s1
Standard InCHIKey	ZAIPMKNFIOOWCQ-UEKVPHQBSA-N
External Identifiers	ChEMBL [CHEMBL1727]; PubChem [27447];
Reference of Component-Ingredient Pair	N/A

Occurrence of the ingredient across TCM components

Component ID	Latin Name	Pinyin Name	Chinese Name
TCMH1519	Oroxylum indicum	Mu Hu Die	木蝴蝶
TCMH1999	Bubalus bubalis	Shui Niu Jiao Nong Suo Fen	水牛角浓缩粉
TCMH1575	Bubalus bubalis	Niu Jiao Fen	牛角粉
TCMH1576	Bubalus bubalis	Niu Jiao Jian Fen	牛角尖粉
TCMH1577	Bubalus bubalis	Niu Jiao Tan	牛角炭
TCMH1997	Bubalus bubalis	Shui Niu Jiao	水牛角
TCMH1998	Bubalus bubalis	Shui Niu Jiao Gan Jin Gao	水牛角干浸膏

Ingredient ID: TCMC78
Formula: C11H20O6

Common Name	(2R,3S,4S,5R,6S)-2-(Hydroxymethyl)-6-(2-Methylbut-3-En-2-Yloxy)Oxane-3,4,5-Triol
IUPAC Name	(2R,3S,4S,5R,6S)-2-(hydroxymethyl)-6-(2-methylbut-3-en-2-yloxy)oxane-3,4,5-triol
Canonical SMILES	OC[C@H]1O[C@@H](OC(C=C)(C)C)[C@@H]([C@H]([C@@H]1O)O)O
Standard InCHI	InChI=1S/C11H20O6/c1-4-11(2,3)17-10-9(15)8(14)7(13)6(5-12)16-10/h4,6-10,12-15H,1,5H2,2-3H3/t6-,7-,8+,9-,10+/m1/s1
Standard InCHIKey	ZEGGZNOPAPRAIG-SPFKKGSWSA-N
External Identifiers	ChEMBL [CHEMBL1395434]; PubChem [5316128];
Reference of Component-Ingredient Pair	18545936

Occurrence of the ingredient across TCM components

Component ID	Latin Name	Pinyin Name	Chinese Name
TCMH2710	Homo sapiens	Zi He Che	紫河车
TCMH1999	Bubalus bubalis	Shui Niu Jiao Nong Suo Fen	水牛角浓缩粉
TCMH1502	Agaricus campestris	Mo Gu	蘑菇
TCMH148	Glehnia littoralis	Bei Sha Shen Liu Jin Gao	北沙参流浸膏
TCMH1575	Bubalus bubalis	Niu Jiao Fen	牛角粉
TCMH1576	Bubalus bubalis	Niu Jiao Jian Fen	牛角尖粉
TCMH1577	Bubalus bubalis	Niu Jiao Tan	牛角炭
TCMH1997	Bubalus bubalis	Shui Niu Jiao	水牛角
TCMH1998	Bubalus bubalis	Shui Niu Jiao Gan Jin Gao	水牛角干浸膏
TCMH1734	Homo sapiens	Ren Zhong Bai	人中白
TCMH147	Glehnia littoralis	Bei Sha Shen	北沙参

Ingredient ID: TCMC453
Formula: C9H6O3

Common Name	3-Hydroxycoumarin
IUPAC Name	3-hydroxychromen-2-one
Canonical SMILES	O=c1oc2ccccc2cc1O
Standard InCHI	InChI=1S/C9H6O3/c10-7-5-6-3-1-2-4-8(6)12-9(7)11/h1-5,10H
Standard InCHIKey	MJKVTPMWOKAVMS-UHFFFAOYSA-N
External Identifiers	ChEMBL [CHEMBL150372]; PubChem [13650];
Reference of Component-Ingredient Pair	22867432

Occurrence of the ingredient across TCM components

Component ID	Latin Name	Pinyin Name	Chinese Name
TCMH1999	Bubalus bubalis	Shui Niu Jiao Nong Suo Fen	水牛角浓缩粉
TCMH1798	Morus alba	Sang Zhi	桑枝
TCMH1575	Bubalus bubalis	Niu Jiao Fen	牛角粉
TCMH1576	Bubalus bubalis	Niu Jiao Jian Fen	牛角尖粉
TCMH1577	Bubalus bubalis	Niu Jiao Tan	牛角炭
TCMH1997	Bubalus bubalis	Shui Niu Jiao	水牛角
TCMH1998	Bubalus bubalis	Shui Niu Jiao Gan Jin Gao	水牛角干浸膏
TCMH1792	Morus alba	Sang Pi	桑皮
TCMH1797	Morus alba	Sang Ye	桑叶

Ingredient ID: TCMC2011
Formula: C15H12I3NO4

Common Name	Reverse Triiodothyronine
IUPAC Name	(2S)-2-amino-3-[4-(4-hydroxy-3,5-diiodophenoxy)-3-iodophenyl]propanoic acid
Canonical SMILES	OC(=O)[C@H](Cc1ccc(c(c1)I)Oc1cc(I)c(c(c1)I)O)N
Standard InCHI	InChI=1S/C15H12I3NO4/c16-9-3-7(4-12(19)15(21)22)1-2-13(9)23-8-5-10(17)14(20)11(18)6-8/h1-3,5-6,12,20H,4,19H2,(H,21,22)/t12-/m0/s1
Standard InCHIKey	HZCBWYNLGPIQRK-LBPRGKRZSA-N
External Identifiers	ChEMBL [CHEMBL1743304]; PubChem [644280];
Reference of Component-Ingredient Pair	N/A

Occurrence of the ingredient across TCM components

Component ID	Latin Name	Pinyin Name	Chinese Name
TCMH1999	Bubalus bubalis	Shui Niu Jiao Nong Suo Fen	水牛角浓缩粉
TCMH1575	Bubalus bubalis	Niu Jiao Fen	牛角粉
TCMH1576	Bubalus bubalis	Niu Jiao Jian Fen	牛角尖粉
TCMH1577	Bubalus bubalis	Niu Jiao Tan	牛角炭
TCMH1997	Bubalus bubalis	Shui Niu Jiao	水牛角
TCMH1998	Bubalus bubalis	Shui Niu Jiao Gan Jin Gao	水牛角干浸膏

Ingredient ID: TCMC1997
Formula: C9H13NO3

Common Name	Racepinephrine
IUPAC Name	4-[1-hydroxy-2-(methylamino)ethyl]benzene-1,2-diol
Canonical SMILES	CNCC(c1ccc(c(c1)O)O)O
Standard InCHI	InChI=1S/C9H13NO3/c1-10-5-9(13)6-2-3-7(11)8(12)4-6/h2-4,9-13H,5H2,1H3
Standard InCHIKey	UCTWMZQNUQWSLP-UHFFFAOYSA-N
External Identifiers	ChEMBL [CHEMBL1740]; PubChem [838];
Reference of Component-Ingredient Pair	N/A

Occurrence of the ingredient across TCM components

Component ID	Latin Name	Pinyin Name	Chinese Name
TCMH641	Bufo melanostictus	Gan Chan	干蟾
TCMH2710	Homo sapiens	Zi He Che	紫河车
TCMH1999	Bubalus bubalis	Shui Niu Jiao Nong Suo Fen	水牛角浓缩粉
TCMH1575	Bubalus bubalis	Niu Jiao Fen	牛角粉
TCMH1576	Bubalus bubalis	Niu Jiao Jian Fen	牛角尖粉
TCMH1577	Bubalus bubalis	Niu Jiao Tan	牛角炭
TCMH1997	Bubalus bubalis	Shui Niu Jiao	水牛角
TCMH1998	Bubalus bubalis	Shui Niu Jiao Gan Jin Gao	水牛角干浸膏
TCMH1734	Homo sapiens	Ren Zhong Bai	人中白
TCMH232	Bufo melanostictus	Chan Chu	蟾蜍

Ingredient ID: TCMC1830
Formula: C16H32O2

Common Name	Palmitic Acid
IUPAC Name	hexadecanoic acid
Canonical SMILES	CCCCCCCCCCCCCCCC(=O)O
Standard InCHI	InChI=1S/C16H32O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16(17)18/h2-15H2,1H3,(H,17,18)
Standard InCHIKey	IPCSVZSSVZVIGE-UHFFFAOYSA-N
External Identifiers	ChEMBL [CHEMBL82293]; PubChem [985];
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
TCMH1862	Cornus officinalis	Shan Zhu Yu	山茱萸
TCMH2367	Linum usitatissimum	Ya Ma Zi	亚麻子
TCMH211	Atractylodes lancea	Cang Zhu	苍术
TCMH457	Euphorbia humifusa	Di Mian Cao	地绵草
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
TCMH2695	NA	Zhu Dan	猪胆
TCMH1939	Combretum indicum	Shi Jun Zi Ren	使君子仁
TCMH1656	Angelica decursiva	Qian Hu	前胡
TCMH1865	Paeonia obovata	Shao Yao	芍药
TCMH1987	Silybum marianum	Shui Fei Ji	水飞蓟
TCMH1240	Raphanus sativus	Lai Fu Zi	莱菔子
TCMH1264	Litchi chinensis	Li Zhi He	荔枝核
TCMH2506	Ginkgo biloba	Yin Xing Ye	银杏叶
TCMH1753	Boswellia carterii	Ru Xiang	乳香
TCMH2166	Clematis chinensis	Wei Ling Xian	威灵仙
TCMH2495	Artemisia capillaris	Yin Chen Hao Gan Jin Gao	茵陈蒿干浸膏
TCMH2012	Lycopus lucidus	Shui Ze Lan	水泽兰
TCMH2438	Caro caprae seu ovis	Yang Rou	羊肉
TCMH143	Albizia julibrissin	Bei He Huan	北合欢
TCMH2201	Securidaca inappendiculata	Wu Wei Teng	五味藤
TCMH2656	Bilis porci	Zhu Dan Zhi	猪胆汁
TCMH537	Centipeda minima	E Bu Shi Cao Nong Suo Ye	鹅不食草浓缩液
TCMH241	Plantago asiatica	Che Qian Zi	车前子
TCMH2144	Inula helenium	Tu Mu Xiang	土木香
TCMH2146	Gynura segetum	Tu San Qi	土三七
TCMH2134	Smilax glabra	Tu Fu Ling	土茯苓
TCMH1633	Taraxacum mongolicum	Pu Gong Ying Jin Gao	蒲公英浸膏
TCMH865	Carthamus tinctorius	Hong Hua	红花
TCMH1186	Lycium chinense	Gou Qi Zi	枸杞子
TCMH120	Atractylodes macrocephala	Bai Zhu	白术
TCMH307	Cnidium officinale	Chuan Xiong Jin Gao	川芎浸膏
TCMH1877	Musculus bungari	She Rou	蛇肉
TCMH1460	Zanthoxylum nitidum	Mao Liang Mian Zhen	毛两面针
TCMH2642	Gardenia jasminoides	Zhi Zi Jin Gao	栀子浸膏
TCMH2137	Pogostemon cablin	Tu Huo Xiang	土藿香
TCMH2666	Pig's spinal cord	Zhu Ji Sui	猪脊髓
TCMH1343	Aloe vera	Lu Hui	芦荟
TCMH1498	Ranunculus ternatus	Mao Zhao Cao	猫爪草
TCMH2027	Oleum terebinthinae	Song Jie You	松节油
TCMH2456	Eupatorium lindleyanum	Ye Ma Zhui	野马追
TCMH2265	Cyperus rotundus	Xiang Fu	香附
TCMH1923	Acorus tatarinowii	Shi Chang Pu Qing Gao	石菖蒲清膏
TCMH326	Corium erinacei seu hemiechianus	Ci Wei Pi	刺猬皮
TCMH1212	Melia azedarach	Ku Lian Zi	苦楝子
TCMH2653	Crassum intestinum porci	Zhu Da Chang	猪大肠
TCMH2556	Polygala tenuifolia	Yuan Zhi Liu Jin Gao	远志流浸膏
TCMH741	Fructus choerospondiatis	Guang Zao	广枣
TCMH2706	Lithospermum erythrorhizon	Zi Cao	紫草
TCMH1409	Cannabis sativa	Ma Ren	麻仁
TCMH2710	Homo sapiens	Zi He Che	紫河车
TCMH1105	Trollius chinensis	Jin Lian Hua	金莲花
TCMH2050	Punica granatum	Suan Shi Liu	酸石榴
TCMH1111	Polygala glomerata	Jin Niu Cao	金牛草
TCMH1469	Flos mume	Mei Hua	梅花
TCMH1894	Pinellia ternata	Sheng Ban Xia	生半夏
TCMH2442	Radix rumicis japonici	Yang Ti Gen	羊蹄根
TCMH1793	Ootheca mantidis	Sang Piao Xiao	桑螵蛸
TCMH827	Terminalia chebula	He Zi Rou	诃子肉
TCMH290	Radix cudraniae	Chuan Po Shi	穿破石
TCMH1377	Astilbe chinensis	Luo Xin Fu	落新妇
TCMH1872	Cnidium monnieri	She Ma Zi	蛇麻子
TCMH2241	Panax quinquefolium	Xi Yang Shen	西洋参
TCMH108	Perilla frutescens	Bai Su Zi	白苏子
TCMH526	Eucommia ulmoides	Du Zhong Ye	杜仲叶
TCMH1299	Ganoderma lucidum	Ling Zhi(1)	灵芝
TCMH422	Angelica sinensis	Dang Gui Gan Jin Gao	当归干浸膏
TCMH1432	Vitex trifolia	Man Jing Zi	蔓荆子
TCMH1839	Panax ginseng	Shan Shen	山参
TCMH958	Testis et penis canis familiaris	Huang Gou Shen	黄狗肾
TCMH2090	Gastrodia elata	Tian Ma	天麻
TCMH95	Aquilaria sinensis	Bai Mu Xiang	白木香
TCMH1999	Bubalus bubalis	Shui Niu Jiao Nong Suo Fen	水牛角浓缩粉
TCMH2360	Brucea javanica	Ya Dan Zi	鸦胆子
TCMH2728	Aster tataricus	Zi Wan	紫菀
TCMH2322	Prunus armeniaca	Xing Ren	杏仁
TCMH388	Ziziphus jujuba	Da Zao	大枣
TCMH240	Plantago depressa	Che Qian Cao	车前草
TCMH128	Castanea mollissima	Ban Li Ke	板栗壳
TCMH2659	Poria cocos	Zhu Fu Shen	朱茯神
TCMH829	Semen pharbitidis	Hei Chou	黑丑
TCMH1601	Nelumbo nucifera	Ou Pian	藕片
TCMH74	Patrinia villosa	Bai Jiang	败酱
TCMH1615	Eriobotrya japonica	Pi Ba Ren	枇杷仁
TCMH37	Smilax china	Ba Qia	菝葜
TCMH555	Potentilla discolor	Fan Bai Cao	翻白草
TCMH2551	Polygonatum odoratum	Yu Zhu	玉竹
TCMH287	Clematidis armandii caulis	Chuan Mu Tong	川木通
TCMH1966	Rehmannia glutinosa	Shu Di Huang	熟地黄
TCMH2192	Prunus mume	Wu Mei Rou	乌梅肉
TCMH619	Citrus medica var. sarcodactylis	Fo Shou	佛手
TCMH30	Croton tiglium	Ba Dou Ye	巴豆叶
TCMH302	Andrographis paniculata	Chuan Xin Lian Nong Suo Ye	穿心莲浓缩液
TCMH1798	Morus alba	Sang Zhi	桑枝
TCMH670	Ligusticum sinense	Gao Ben	藁本
TCMH1033	Centella asiatica	Ji Xue Cao	积雪草
TCMH1486	Ephedra sinica	Mi Ma Huang	蜜麻黄
TCMH2545	Houttuynia cordata	Yu Xing Cao	鱼腥草
TCMH1117	Rhizoma fagopyri cymosi	Jin Qiao Mai	金荞麦
TCMH2086	Trichosanthes kirilowii	Tian Hua Fen	天花粉
TCMH2056	Cynomorium songaricum	Suo Yang	锁阳
TCMH1396	Portulaca oleracea	Ma Chi Xian	马齿苋
TCMH970	Vitex negundo	Huang Jing Zi	黄荆子
TCMH2573	Ziziphus jujuba var. spinosa	Zao Ren	枣仁
TCMH2452	Chrysanthemum indicum	Ye Ju Hua	野菊花
TCMH1660	Senecio scandens	Qian Li Guang	千里光
TCMH2066	Santalum album	Tan Xiang	檀香
TCMH1503	Eclipta prostrata	Mo Han Lian	墨旱莲
TCMH1000	Foeniculum vulgare	Hui Xiang	茴香
TCMH500	Benincasa hispida	Dong Gua Zi	冬瓜子
TCMH1903	Zingiber officinale	Sheng Jiang	生姜
TCMH1118	Lygodium japonicum	Jin Sha Teng	金沙藤
TCMH2624	Anemarrhena asphodeloides	Zhi Mu	知母
TCMH205	Xanthium sibiricum	Cang Er Cao	苍耳草
TCMH1448	Mangifera indica	Mang Guo Ye	芒果叶
TCMH2117	Lepidium apetalum	Ting Li Zi	葶苈子
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
TCMH1588	Achyranthes bidentata	Niu Xi	牛膝
TCMH710	Trichosanthes kirilowii maxim	Gua Lou Zi	瓜蒌子
TCMH76	Thlaspi arvense	Bai Jiang Cao	败酱草
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
TCMH652	Caro verci	Gan Lu Rou	干鹿肉
TCMH71	Oldenlandia diffusa	Bai Hua She She Cao	白花蛇舌草
TCMH1272	Forsythia suspensa	Lian Qiao	连翘
TCMH132	Scutellaria barbata	Ban Zhi Lian	半枝莲
TCMH901	Saxifraga stolonifera	Hu Er Cao	虎耳草
TCMH114	Platycladus orientalis	Bai Ye	柏叶
TCMH1457	Fructus terminaliae billericae	Mao He Zi	毛诃子
TCMH906	Viscum coloratum	Hu Ji Sheng	槲寄生
TCMH1741	Myristica fragrans	Rou Dou Kou	肉豆蔻
TCMH2267	Periploca sepium	Xiang Jia Pi	香加皮
TCMH1029	Paederia scandens	Ji Shi Teng	鸡矢藤
TCMH1804	Amomum villosum	Sha Ren Ye	砂仁叶
TCMH1184	Citrus reticulata	Ju Pi	橘皮
TCMH2315	Arnebia euchroma	Xin Jiang Zi Cao	新疆紫草
TCMH35	Dysosma versipellis	Ba Jiao Lian	八角莲
TCMH1142	Schizonepetae spica	Jing Jie Sui	荆芥穗
TCMH1714	Lonicera japonica	Ren Dong Teng	忍冬藤
TCMH1022	Celosia cristata	Ji Guan Hua	鸡冠花
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
TCMH149	Lepidium apetalum	Bei Ting Li Zi	北葶苈子
TCMH2116	Lepidium apetalum	Ting Li Cao	葶苈草
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
TCMH1175	Cornus officinalis	Jiu Yu Rou	酒萸肉
TCMH1150	Gynura segetum	Jing Tian San Qi	景天三七
TCMH122	Lobelia chinensis	Ban Bian Lian	半边莲
TCMH1584	Achyranthes bidentata	Niu Teng	牛藤
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
TCMH1866	Cnidium monnieri	She Chuang Zi	蛇床子
TCMH524	Eucommia ulmoides	Du Zhong	杜仲
TCMH525	Eucommia ulmoides	Du Zhong Tan	杜仲炭
TCMH498	Benincasa hispida	Dong Gua Pi	冬瓜皮
TCMH1575	Bubalus bubalis	Niu Jiao Fen	牛角粉
TCMH1576	Bubalus bubalis	Niu Jiao Jian Fen	牛角尖粉
TCMH1577	Bubalus bubalis	Niu Jiao Tan	牛角炭
TCMH1997	Bubalus bubalis	Shui Niu Jiao	水牛角
TCMH1998	Bubalus bubalis	Shui Niu Jiao Gan Jin Gao	水牛角干浸膏
TCMH52	Semen pharbitidis	Bai Chou	白丑
TCMH204	Xanthium sibiricum	Cang Er	苍耳
TCMH1185	Lycium chinense	Gou Qi	枸杞
TCMH1734	Homo sapiens	Ren Zhong Bai	人中白
TCMH1398	Ephedra sinica	Ma Huang	麻黄
TCMH1399	Ephedra sinica	Ma Huang Gao	麻黄膏
TCMH1400	Ephedra sinica	Ma Huang Gen	麻黄根
TCMH1401	Ephedra sinica	Ma Huang Jin Gao	麻黄浸膏
TCMH310	Melia azedarach	Chuan Lian	川楝
TCMH1211	Melia azedarach	Ku Lian Pi	苦楝皮
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
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
TCMH1431	Vitex trifolia	Man Jing Ye	蔓荆叶
TCMH258	Paeonia obovata	Chi Shao	赤芍
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
TCMH309	Curcuma longa	Chuan Yu Jin	川郁金
TCMH1296	Ganoderma lucidum	Ling Zhi Jin Gao	灵芝浸膏
TCMH1178	Citrus reticulata	Ju He	橘核
TCMH210	Terminalia chebula	Cang Qing Guo	藏青果
TCMH826	Terminalia chebula	He Zi	诃子
TCMH978	Taraxacum mongolicum	Huang Miao	黄苗
TCMH1632	Taraxacum mongolicum	Pu Gong Ying	蒲公英
TCMH2554	Polygala tenuifolia	Yuan Zhi	远志
TCMH2555	Polygala tenuifolia	Yuan Zhi Jin Gao	远志浸膏
TCMH1792	Morus alba	Sang Pi	桑皮
TCMH1797	Morus alba	Sang Ye	桑叶
TCMH93	Prunus mume	Bai Mei Hua	白梅花
TCMH2191	Prunus mume	Wu Mei	乌梅
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
TCMH64	Piper nigrum	Bai Hu Jiao	白胡椒
TCMH839	Piper nigrum	Hei Hu Jiao	黑胡椒
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
TCMH60	Ginkgo biloba	Bai Guo	白果
TCMH61	Ginkgo biloba	Bai Guo Ren	白果仁
TCMH28	Croton tiglium	Ba Dou	巴豆
TCMH29	Croton tiglium	Ba Dou Shuang	巴豆霜
TCMH256	Wolfiporia cocos	Chi Fu Ling	赤茯苓
TCMH606	Wolfiporia cocos	Fu Ling	茯苓
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
TCMH305	Cnidium officinale	Chuan Xiong	川芎
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
TCMH298	Andrographis paniculata	Chuan Xin Lian	穿心莲
TCMH299	Andrographis paniculata	Chuan Xin Lian Gan Jin Gao	穿心莲干浸膏
TCMH300	Andrographis paniculata	Chuan Xin Lian Jin Gao	穿心莲浸膏
TCMH454	Euphorbia humifusa	Di Jin Cao	地锦草
TCMH2051	Ziziphus jujuba var. spinosa	Suan Zao	酸枣
TCMH2052	Ziziphus jujuba var. spinosa	Suan Zao Ren	酸枣仁
TCMH2164	Clematis chinensis	Wei Ling	威灵
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
TCMH1005	Cannabis sativa	Huo Ma Ren	火麻仁
TCMH195	Raphanus sativus	Cai Fu Zi	菜菔子
TCMH1239	Raphanus sativus	Lai Fu	莱菔
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
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
TCMH536	Centipeda minima	E Bu Shi Cao	鹅不食草
TCMH1856	Gardenia jasminoides	Shan Zhi	山栀
TCMH2641	Gardenia jasminoides	Zhi Zi	栀子

Ingredient ID: TCMC1797
Formula: C5H4N2O4

Common Name	Orotic Acid
IUPAC Name	2,4-dioxo-1H-pyrimidine-6-carboxylic acid
Canonical SMILES	Oc1nc(O)nc(c1)C(=O)O
Standard InCHI	InChI=1S/C5H4N2O4/c8-3-1-2(4(9)10)6-5(11)7-3/h1H,(H,9,10)(H2,6,7,8,11)
Standard InCHIKey	PXQPEWDEAKTCGB-UHFFFAOYSA-N
External Identifiers	ChEMBL [CHEMBL1235017]; PubChem [967];
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
TCMH1999	Bubalus bubalis	Shui Niu Jiao Nong Suo Fen	水牛角浓缩粉
TCMH1575	Bubalus bubalis	Niu Jiao Fen	牛角粉
TCMH1576	Bubalus bubalis	Niu Jiao Jian Fen	牛角尖粉
TCMH1577	Bubalus bubalis	Niu Jiao Tan	牛角炭
TCMH1997	Bubalus bubalis	Shui Niu Jiao	水牛角
TCMH1998	Bubalus bubalis	Shui Niu Jiao Gan Jin Gao	水牛角干浸膏
TCMH1734	Homo sapiens	Ren Zhong Bai	人中白

Ingredient ID: TCMC1758
Formula: C8H11NO3

Common Name	Norepinephrine
IUPAC Name	4-[(1R)-2-amino-1-hydroxyethyl]benzene-1,2-diol
Canonical SMILES	NC[C@@H](c1ccc(c(c1)O)O)O
Standard InCHI	InChI=1S/C8H11NO3/c9-4-8(12)5-1-2-6(10)7(11)3-5/h1-3,8,10-12H,4,9H2/t8-/m0/s1
Standard InCHIKey	SFLSHLFXELFNJZ-QMMMGPOBSA-N
External Identifiers	ChEMBL [CHEMBL1437]; PubChem [439260];
Reference of Component-Ingredient Pair	25729574

Occurrence of the ingredient across TCM components

Component ID	Latin Name	Pinyin Name	Chinese Name
TCMH2459	Melastoma candidum	Ye Mu Dan	野牡丹
TCMH143	Albizia julibrissin	Bei He Huan	北合欢
TCMH1165	Murraya paniculata	Jiu Li Xiang	九里香
TCMH2710	Homo sapiens	Zi He Che	紫河车
TCMH1999	Bubalus bubalis	Shui Niu Jiao Nong Suo Fen	水牛角浓缩粉
TCMH1396	Portulaca oleracea	Ma Chi Xian	马齿苋
TCMH2268	Musa paradisiaca var. sapientum	Xiang Jiao	橡胶
TCMH1575	Bubalus bubalis	Niu Jiao Fen	牛角粉
TCMH1576	Bubalus bubalis	Niu Jiao Jian Fen	牛角尖粉
TCMH1577	Bubalus bubalis	Niu Jiao Tan	牛角炭
TCMH1997	Bubalus bubalis	Shui Niu Jiao	水牛角
TCMH1998	Bubalus bubalis	Shui Niu Jiao Gan Jin Gao	水牛角干浸膏
TCMH1734	Homo sapiens	Ren Zhong Bai	人中白

Ingredient ID: TCMC1753
Formula: C18H21NO3

Common Name	Norarmepavine
IUPAC Name	4-[[(1S)-6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolin-1-yl]methyl]phenol
Canonical SMILES	COc1cc2[C@@H](NCCc2cc1OC)Cc1ccc(cc1)O
Standard InCHI	InChI=1S/C18H21NO3/c1-21-17-10-13-7-8-19-16(15(13)11-18(17)22-2)9-12-3-5-14(20)6-4-12/h3-6,10-11,16,19-20H,7-9H2,1-2H3/t16-/m0/s1
Standard InCHIKey	NKBBUUNAVOMVER-INIZCTEOSA-N
External Identifiers	ChEMBL [CHEMBL453038]; PubChem [6999736];
Reference of Component-Ingredient Pair	N/A

Occurrence of the ingredient across TCM components

Component ID	Latin Name	Pinyin Name	Chinese Name
TCMH143	Albizia julibrissin	Bei He Huan	北合欢
TCMH1999	Bubalus bubalis	Shui Niu Jiao Nong Suo Fen	水牛角浓缩粉
TCMH816	Albizzia julibrissin	He Huan Pi	合欢皮
TCMH1396	Portulaca oleracea	Ma Chi Xian	马齿苋
TCMH2268	Musa paradisiaca var. sapientum	Xiang Jiao	橡胶
TCMH1575	Bubalus bubalis	Niu Jiao Fen	牛角粉
TCMH1576	Bubalus bubalis	Niu Jiao Jian Fen	牛角尖粉
TCMH1577	Bubalus bubalis	Niu Jiao Tan	牛角炭
TCMH1997	Bubalus bubalis	Shui Niu Jiao	水牛角
TCMH1998	Bubalus bubalis	Shui Niu Jiao Gan Jin Gao	水牛角干浸膏

Ingredient ID: TCMC1504
Formula: C24H40O3

Common Name	Lithocholic Acid
IUPAC Name	(4R)-4-[(3R,5R,8R,9S,10S,13R,14S,17R)-3-hydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]pentanoic acid
Canonical SMILES	O[C@@H]1CC[C@]2([C@@H](C1)CC[C@@H]1[C@@H]2CC[C@]2([C@H]1CC[C@@H]2[C@@H](CCC(=O)O)C)C)C
Standard InCHI	InChI=1S/C24H40O3/c1-15(4-9-22(26)27)19-7-8-20-18-6-5-16-14-17(25)10-12-23(16,2)21(18)11-13-24(19,20)3/h15-21,25H,4-14H2,1-3H3,(H,26,27)/t15-,16-,17-,18+,19-,20+,21+,23+,24-/m1/s1
Standard InCHIKey	SMEROWZSTRWXGI-HVATVPOCSA-N
External Identifiers	ChEMBL [CHEMBL1478]; PubChem [9903];
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
TCMH1999	Bubalus bubalis	Shui Niu Jiao Nong Suo Fen	水牛角浓缩粉
TCMH1575	Bubalus bubalis	Niu Jiao Fen	牛角粉
TCMH1576	Bubalus bubalis	Niu Jiao Jian Fen	牛角尖粉
TCMH1577	Bubalus bubalis	Niu Jiao Tan	牛角炭
TCMH1997	Bubalus bubalis	Shui Niu Jiao	水牛角
TCMH1998	Bubalus bubalis	Shui Niu Jiao Gan Jin Gao	水牛角干浸膏
TCMH1734	Homo sapiens	Ren Zhong Bai	人中白

Ingredient ID: TCMC1498
Formula: C15H12I3NO4

Common Name	Liothyronine
IUPAC Name	(2S)-2-azaniumyl-3-[4-(4-hydroxy-3-iodophenoxy)-3,5-diiodophenyl]propanoate
Canonical SMILES	OC(=O)[C@H](Cc1cc(I)c(c(c1)I)Oc1ccc(c(c1)I)O)N
Standard InCHI	InChI=1S/C15H12I3NO4/c16-9-6-8(1-2-13(9)20)23-14-10(17)3-7(4-11(14)18)5-12(19)15(21)22/h1-4,6,12,20H,5,19H2,(H,21,22)/t12-/m0/s1
Standard InCHIKey	AUYYCJSJGJYCDS-LBPRGKRZSA-N
External Identifiers	ChEMBL [CHEMBL1544]; PubChem [7048703];
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
TCMH1999	Bubalus bubalis	Shui Niu Jiao Nong Suo Fen	水牛角浓缩粉
TCMH1575	Bubalus bubalis	Niu Jiao Fen	牛角粉
TCMH1576	Bubalus bubalis	Niu Jiao Jian Fen	牛角尖粉
TCMH1577	Bubalus bubalis	Niu Jiao Tan	牛角炭
TCMH1997	Bubalus bubalis	Shui Niu Jiao	水牛角
TCMH1998	Bubalus bubalis	Shui Niu Jiao Gan Jin Gao	水牛角干浸膏
TCMH1734	Homo sapiens	Ren Zhong Bai	人中白

Ingredient ID: TCMC1477
Formula: C15H11I4NO4

Common Name	Levothyroxine
IUPAC Name	(2S)-2-amino-3-[4-(4-hydroxy-3,5-diiodophenoxy)-3,5-diiodophenyl]propanoic acid
Canonical SMILES	OC(=O)[C@H](Cc1cc(I)c(c(c1)I)Oc1cc(I)c(c(c1)I)O)N
Standard InCHI	InChI=1S/C15H11I4NO4/c16-8-4-7(5-9(17)13(8)21)24-14-10(18)1-6(2-11(14)19)3-12(20)15(22)23/h1-2,4-5,12,21H,3,20H2,(H,22,23)/t12-/m0/s1
Standard InCHIKey	XUIIKFGFIJCVMT-LBPRGKRZSA-N
External Identifiers	ChEMBL [CHEMBL1624]; PubChem [5819];
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
TCMH1999	Bubalus bubalis	Shui Niu Jiao Nong Suo Fen	水牛角浓缩粉
TCMH1575	Bubalus bubalis	Niu Jiao Fen	牛角粉
TCMH1576	Bubalus bubalis	Niu Jiao Jian Fen	牛角尖粉
TCMH1577	Bubalus bubalis	Niu Jiao Tan	牛角炭
TCMH1997	Bubalus bubalis	Shui Niu Jiao	水牛角
TCMH1998	Bubalus bubalis	Shui Niu Jiao Gan Jin Gao	水牛角干浸膏
TCMH1734	Homo sapiens	Ren Zhong Bai	人中白

Ingredient ID: TCMC1459
Formula: C3H7NO2

Common Name	L-Alanine
IUPAC Name	(2S)-2-aminopropanoic acid
Canonical SMILES	C[C@@H](C(=O)O)N
Standard InCHI	InChI=1S/C3H7NO2/c1-2(4)3(5)6/h2H,4H2,1H3,(H,5,6)/t2-/m0/s1
Standard InCHIKey	QNAYBMKLOCPYGJ-REOHCLBHSA-N
External Identifiers	ChEMBL [CHEMBL279597]; PubChem [5950];
Reference of Component-Ingredient Pair	N/A

Occurrence of the ingredient across TCM components

Component ID	Latin Name	Pinyin Name	Chinese Name
TCMH1862	Cornus officinalis	Shan Zhu Yu	山茱萸
TCMH2407	Bupleurum chinense	Yan Tai Chai Hu	烟台柴胡
TCMH382	Allium sativum	Da Suan	大蒜
TCMH396	Semen sojae praeparata	Dan Dou Chi	淡豆豉
TCMH313	Sedum sarmentosum	Chui Pen Cao Qing Gao	垂盆草清膏
TCMH1633	Taraxacum mongolicum	Pu Gong Ying Jin Gao	蒲公英浸膏
TCMH1740	Cistanche deserticola	Rou Cong Rong	肉苁蓉
TCMH2137	Pogostemon cablin	Tu Huo Xiang	土藿香
TCMH1343	Aloe vera	Lu Hui	芦荟
TCMH2710	Homo sapiens	Zi He Che	紫河车
TCMH1332	Penis cervi	Lu Bian	鹿鞭
TCMH1894	Pinellia ternata	Sheng Ban Xia	生半夏
TCMH1299	Ganoderma lucidum	Ling Zhi(1)	灵芝
TCMH422	Angelica sinensis	Dang Gui Gan Jin Gao	当归干浸膏
TCMH1999	Bubalus bubalis	Shui Niu Jiao Nong Suo Fen	水牛角浓缩粉
TCMH1294	Cornu saigae tataricae	Ling Yang Jiao	羚羊角
TCMH1833	Radix liriopes	Shan Mai Dong	山麦冬
TCMH1396	Portulaca oleracea	Ma Chi Xian	马齿苋
TCMH1090	Brassica juncea	Jie Zi	芥子
TCMH637	Radix glycyrrhizae uralensis	Gan Cao Shao	甘草梢
TCMH1483	Tussilago farfara	Mi Kuan Dong Hua	蜜款冬花
TCMH943	Rhizoma dioscoreae	Huai Shan Yao	淮山药
TCMH823	Semen juglandis	He Tao Ren	核桃仁
TCMH79	Sinapis alba	Bai Jie Zi	白芥子
TCMH1175	Cornus officinalis	Jiu Yu Rou	酒萸肉
TCMH312	Sedum sarmentosum	Chui Pen Cao	垂盆草
TCMH421	Angelica sinensis	Dang Gui	当归
TCMH1575	Bubalus bubalis	Niu Jiao Fen	牛角粉
TCMH1576	Bubalus bubalis	Niu Jiao Jian Fen	牛角尖粉
TCMH1577	Bubalus bubalis	Niu Jiao Tan	牛角炭
TCMH1997	Bubalus bubalis	Shui Niu Jiao	水牛角
TCMH1998	Bubalus bubalis	Shui Niu Jiao Gan Jin Gao	水牛角干浸膏
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
TCMH1296	Ganoderma lucidum	Ling Zhi Jin Gao	灵芝浸膏
TCMH978	Taraxacum mongolicum	Huang Miao	黄苗
TCMH1632	Taraxacum mongolicum	Pu Gong Ying	蒲公英
TCMH820	Semen juglandis	He Tao	核桃
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
TCMH1223	Tussilago farfara	Kuan Dong Hua	款冬花

Ingredient ID: TCMC138
Formula: C21H30O4

Common Name	(8S,10R,11S,13S,14S,17S)-11-Hydroxy-17-(2-Hydroxyacetyl)-10,13-Dimethyl-1,2,6,7,8,9,11,12,14,15,16,17-Dodecahydrocyclopenta[A]Phenanthren-3-One
IUPAC Name	(8S,10R,11S,13S,14S,17S)-11-hydroxy-17-(2-hydroxyacetyl)-10,13-dimethyl-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-3-one
Canonical SMILES	OCC(=O)[C@H]1CC[C@@H]2[C@]1(C)C[C@H](O)C1[C@H]2CCC2=CC(=O)CC[C@]12C
Standard InCHI	InChI=1S/C21H30O4/c1-20-8-7-13(23)9-12(20)3-4-14-15-5-6-16(18(25)11-22)21(15,2)10-17(24)19(14)20/h9,14-17,19,22,24H,3-8,10-11H2,1-2H3/t14-,15-,16+,17-,19?,20-,21-/m0/s1
Standard InCHIKey	OMFXVFTZEKFJBZ-KRGAXNBZSA-N
External Identifiers	ChEMBL [CHEMBL1513569]; PubChem [16758819];
Reference of Component-Ingredient Pair	N/A

Occurrence of the ingredient across TCM components

Component ID	Latin Name	Pinyin Name	Chinese Name
TCMH1999	Bubalus bubalis	Shui Niu Jiao Nong Suo Fen	水牛角浓缩粉
TCMH1575	Bubalus bubalis	Niu Jiao Fen	牛角粉
TCMH1576	Bubalus bubalis	Niu Jiao Jian Fen	牛角尖粉
TCMH1577	Bubalus bubalis	Niu Jiao Tan	牛角炭
TCMH1997	Bubalus bubalis	Shui Niu Jiao	水牛角
TCMH1998	Bubalus bubalis	Shui Niu Jiao Gan Jin Gao	水牛角干浸膏

Ingredient ID: TCMC1209
Formula: C4H9NO2

Common Name	Gamma-Aminobutyric Acid
IUPAC Name	4-aminobutanoic acid
Canonical SMILES	NCCCC(=O)O
Standard InCHI	InChI=1S/C4H9NO2/c5-3-1-2-4(6)7/h1-3,5H2,(H,6,7)
Standard InCHIKey	BTCSSZJGUNDROE-UHFFFAOYSA-N
External Identifiers	ChEMBL [CHEMBL96]; PubChem [119];
Reference of Component-Ingredient Pair	29968805

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
TCMH641	Bufo melanostictus	Gan Chan	干蟾
TCMH1186	Lycium chinense	Gou Qi Zi	枸杞子
TCMH552	Rhizoma pinelliae preparata	Fa Ban Xia	法半夏
TCMH1343	Aloe vera	Lu Hui	芦荟
TCMH1923	Acorus tatarinowii	Shi Chang Pu Qing Gao	石菖蒲清膏
TCMH2710	Homo sapiens	Zi He Che	紫河车
TCMH1894	Pinellia ternata	Sheng Ban Xia	生半夏
TCMH2221	Citrullus vulgaris	Xi Gua	西瓜
TCMH517	Angelica pubescens	Du Huo	独活
TCMH422	Angelica sinensis	Dang Gui Gan Jin Gao	当归干浸膏
TCMH1999	Bubalus bubalis	Shui Niu Jiao Nong Suo Fen	水牛角浓缩粉
TCMH1966	Rehmannia glutinosa	Shu Di Huang	熟地黄
TCMH1665	Notopterygium incisum	Qiang Huo	羌活
TCMH1798	Morus alba	Sang Zhi	桑枝
TCMH2086	Trichosanthes kirilowii	Tian Hua Fen	天花粉
TCMH2147	Radix rehmanniae	Tu Sheng Di	土生地
TCMH665	Saccharum sinensis	Gan Zhe	甘蔗
TCMH943	Rhizoma dioscoreae	Huai Shan Yao	淮山药
TCMH1512	Isatis indigotica	Mu Da Qing Ye	木大青叶
TCMH421	Angelica sinensis	Dang Gui	当归
TCMH1575	Bubalus bubalis	Niu Jiao Fen	牛角粉
TCMH1576	Bubalus bubalis	Niu Jiao Jian Fen	牛角尖粉
TCMH1577	Bubalus bubalis	Niu Jiao Tan	牛角炭
TCMH1997	Bubalus bubalis	Shui Niu Jiao	水牛角
TCMH1998	Bubalus bubalis	Shui Niu Jiao Gan Jin Gao	水牛角干浸膏
TCMH1185	Lycium chinense	Gou Qi	枸杞
TCMH1734	Homo sapiens	Ren Zhong Bai	人中白
TCMH1896	Radix rehmanniae	Sheng Di Huang	生地黄
TCMH1897	Radix rehmanniae	Sheng Di Huang Zhi	生地黄汁
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
TCMH279	Angelica pubescens	Chuan Du Huo	川独活
TCMH1792	Morus alba	Sang Pi	桑皮
TCMH1797	Morus alba	Sang Ye	桑叶
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
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
TCMH232	Bufo melanostictus	Chan Chu	蟾蜍
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
TCMH1920	Acorus tatarinowii	Shi Chang Pu	石菖蒲
TCMH1922	Acorus tatarinowii	Shi Chang Pu Jin Gao	石菖蒲浸膏

Properties

Ingredient ID	Formulae	Name	MW	AlogP	MlogP	XlogP	# HBA	# HBD	PSA	# Rotatable Bond	# Ring	# Heacy Atom	Lipinski RO5 Violation
TCMC78	C11H20O6	(2R,3S,4S,5R,6S)-2-(Hydroxymethyl)-6-(2-Methylbut-3-En-2-Yloxy)Oxane-3,4,5-Triol	248.13	-0.9056	2.01	-0.356	6	4	99.38	10	1	17	0
TCMC138	C21H30O4	(8S,10R,11S,13S,14S,17S)-11-Hydroxy-17-(2-Hydroxyacetyl)-10,13-Dimethyl-1,2,6,7,8,9,11,12,14,15,16,17-Dodecahydrocyclopenta[A]Phenanthren-3-One	346.21	-0.5211	3.33	1.704	4	2	74.6	6	4	25	0
TCMC453	C9H6O3	3-Hydroxycoumarin	162.03	-0.1864	2.12	3.054	2	1	46.53	1	2	12	0
TCMC885	C16H17N3O4S	Cephalexin	347.09	-0.8185	2.34	-1.005	7	3	141.52	8	3	24	0
TCMC903	C24H40O5	Cholic Acid	408.29	-0.4664	3.55	4.093	5	4	97.99	11	4	29	0
TCMC953	C4H7N3O	Creatinine	113.06	-0.7855	1.46	0.015	4	2	59.68	2	1	8	0
TCMC1209	C4H9NO2	Gamma-Aminobutyric Acid	103.06	-1.2313	1.57	-0.668	3	2	63.32	5	0	7	0
TCMC1459	C3H7NO2	L-Alanine	89.05	-1.0955	1.46	-2.824	3	2	63.32	4	0	6	0
TCMC1477	C15H11I4NO4	Levothyroxine	776.69	3.9816	2.12	2.847	3	3	92.78	12	2	24	0
TCMC1498	C15H12I3NO4	Liothyronine	650.79	2.5615	2.23	2.213	3	3	92.78	11	2	23	0
TCMC1504	C24H40O3	Lithocholic Acid	376.3	0.873	3.77	8.263	3	2	57.53	9	4	27	1
TCMC1753	C18H21NO3	Norarmepavine	299.15	-0.7051	3	2.755	1	2	50.72	7	3	22	0
TCMC1758	C8H11NO3	Norepinephrine	169.07	-2.1696	1.9	-0.46	2	4	86.71	6	1	12	0
TCMC1797	C5H4N2O4	Orotic Acid	156.02	-1.1604	1.35	-0.837	4	3	103.54	4	1	11	0
TCMC1830	C16H32O2	Palmitic Acid	256.24	-3.8977	3	7.57	2	1	37.3	16	0	18	2
TCMC1997	C9H13NO3	Racepinephrine	183.09	-1.7378	2.01	-0.07	2	4	72.72	7	1	13	0
TCMC2011	C15H12I3NO4	Reverse Triiodothyronine	650.79	2.5615	2.23	2.213	3	3	92.78	11	2	23	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: Bubalus bubalis 牛角炭

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: TCMC953

Occurrence of the ingredient across TCM components

Ingredient ID: TCMC903

Occurrence of the ingredient across TCM components

Ingredient ID: TCMC885

Occurrence of the ingredient across TCM components

Ingredient ID: TCMC78

Occurrence of the ingredient across TCM components

Ingredient ID: TCMC453

Occurrence of the ingredient across TCM components

Ingredient ID: TCMC2011

Occurrence of the ingredient across TCM components

Ingredient ID: TCMC1997

Occurrence of the ingredient across TCM components

Ingredient ID: TCMC1830

Occurrence of the ingredient across TCM components

Ingredient ID: TCMC1797

Occurrence of the ingredient across TCM components

Ingredient ID: TCMC1758

Occurrence of the ingredient across TCM components

Ingredient ID: TCMC1753

Occurrence of the ingredient across TCM components

Ingredient ID: TCMC1504

Occurrence of the ingredient across TCM components

Ingredient ID: TCMC1498

Occurrence of the ingredient across TCM components

Ingredient ID: TCMC1477

Occurrence of the ingredient across TCM components

Ingredient ID: TCMC1459

Occurrence of the ingredient across TCM components

Ingredient ID: TCMC138

Occurrence of the ingredient across TCM components

Ingredient ID: TCMC1209

Occurrence of the ingredient across TCM components

Properties

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