TCM-ID Component

Description of the Component

Component ID	TCMH232
Latin Name	Bufo melanostictus
English Name	Toad
Chinese Pinyin Name	Chan Chu
中文名	蟾蜍
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	GBAP778-09
Barcode Source	BOLDSYSTEMS

TCM Prescriptions with the Component

Prescription ID	Prescription English Name	Prescription Chinese Name
TCMF3957	Chan Long Ding Chuan Recipe	蟾龙定喘合剂
TCMF3547	Fu Fang Ge Qing Zhu She Oral Liquid	复方蛤青注射液
TCMFx4649	Ji De Sheng She Yao Tablets	季德胜蛇药片
TCMF2515	Plus and Minus DH Decoction	加减地黄汤
TCMFx6821	Zhan Jiang Chan Chu Ointment	湛江蟾蜍膏

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
TCMT112	ADORA3	Adenosine A3 receptor	GPCR	P0DMS8
TCMT13	APEX1	DNA-(apurinic or apyrimidinic site) lyase	Lyase	P27695
TCMT130	ALOX5	Arachidonate 5-lipoxygenase	Oxidoreductase	P09917
TCMT131	ACHE	Acetylcholinesterase	Hydrolase	P22303
TCMT159	TYR	Tyrosinase	Oxidoreductase	P14679
TCMT160	HTR7	Serotonin 7 (5-HT7) receptor	GPCR	P34969
TCMT162	UGT1A1	UDP-glucuronosyltransferase 1-1	Transferase	P22309
TCMT2	MAPT	Microtubule-associated protein tau	Unclassified	P10636
TCMT241	CHRNA7	Neuronal acetylcholine receptor protein alpha-7 subunit	Ion channel	P36544
TCMT267	GABRR1	GABA receptor rho-1 subunit	Ion channel	P24046
TCMT27	DRD1	Dopamine D1 receptor	GPCR	P21728
TCMT30	PTGS2	Cyclooxygenase-2	Oxidoreductase	P35354
TCMT31	CYP2C19	Cytochrome P450 2C19	Oxidoreductase	P33261
TCMT313	HTR2B	Serotonin 2b (5-HT2b) receptor	GPCR	P41595
TCMT314	HTR2C	Serotonin 2c (5-HT2c) receptor	GPCR	P28335
TCMT315	HTR6	Serotonin 6 (5-HT6) receptor	GPCR	P50406
TCMT316	MTNR1A	Melatonin receptor 1A	GPCR	P48039
TCMT317	MTNR1B	Melatonin receptor 1B	GPCR	P49286
TCMT33	CYP3A4	Cytochrome P450 3A4	Oxidoreductase	P08684
TCMT336	IDO1	Indoleamine 2,3-dioxygenase	Oxidoreductase	P14902
TCMT34	CYP2D6	Cytochrome P450 2D6	Oxidoreductase	P10635
TCMT36	HTR1A	Serotonin 1a (5-HT1a) receptor	GPCR	P08908
TCMT37	HTR2A	Serotonin 2a (5-HT2a) receptor	GPCR	P28223
TCMT42	KMT2A	Histone-lysine N-methyltransferase MLL	Transferase	Q03164
TCMT558	TOP2A	DNA topoisomerase II alpha	Isomerase	P11388
TCMT559	ADRB2	Beta-2 adrenergic receptor	GPCR	P07550
TCMT644	HTR3A	Serotonin 3a (5-HT3a) receptor	Ion channel	P46098
TCMT645	HTR1E	Serotonin 1e (5-HT1e) receptor	GPCR	P28566
TCMT646	HTR5A	Serotonin 5a (5-HT5a) receptor	GPCR	P47898
TCMT69	THRB	Thyroid hormone receptor beta-1	Nuclear receptor	P10828
TCMT815	HTR1D	Serotonin 1d (5-HT1d) receptor	GPCR	P28221
TCMT816	HTR1B	Serotonin 1b (5-HT1b) receptor	GPCR	P28222
TCMT817	HTR4	Serotonin 4 (5-HT4) receptor	GPCR	Q13639
TCMT87	CYP2C9	Cytochrome P450 2C9	Oxidoreductase	P11712

Targeted Pathogenic Microbes by the Ingredient of Component

Target ID	Target Name
TCMT1086	Isocitrate lyase
TCMT1353	Plasmodium yoelii
TCMT1439	Mycobacterium smegmatis
TCMT1455	Mycobacterium tuberculosis H37Rv
TCMT1463	Mycobacterium tuberculosis

Ingredient Structrues

Ingredient ID: TCMC831
Formula: C24H32O4

Common Name	Bufogenin
IUPAC Name	n.a.
Canonical SMILES	O[C@H]1CC[C@]2([C@@H](C1)CC[C@@H]1[C@@H]2CC[C@]2([C@]31O[C@@H]3C[C@@H]2c1ccc(=O)oc1)C)C
Standard InCHI	InChI=1S/C24H32O4/c1-22-9-7-16(25)11-15(22)4-5-18-17(22)8-10-23(2)19(12-20-24(18,23)28-20)14-3-6-21(26)27-13-14/h3,6,13,15-20,25H,4-5,7-12H2,1-2H3/t15-,16+,17+,18-,19-,20-,22+,23-,24-/m1/s1
Standard InCHIKey	ATLJNLYIJOCWJE-CWMZOUAVSA-N
External Identifiers	ChEMBL [CHEMBL250172]; PubChem [6917974];
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
TCMH232	Bufo melanostictus	Chan Chu	蟾蜍

Ingredient ID: TCMC2196
Formula: C15H8N2O2

Common Name	Tryptanthrin
IUPAC Name	indolo[2,1-b]quinazoline-6,12-dione
Canonical SMILES	O=C1c2nc3ccccc3c(=O)n2c2c1cccc2
Standard InCHI	InChI=1S/C15H8N2O2/c18-13-10-6-2-4-8-12(10)17-14(13)16-11-7-3-1-5-9(11)15(17)19/h1-8H
Standard InCHIKey	VQQVWGVXDIPORV-UHFFFAOYSA-N
External Identifiers	ChEMBL [CHEMBL306946]; PubChem [73549];
Reference of Component-Ingredient Pair	11937358

Occurrence of the ingredient across TCM components

Component ID	Latin Name	Pinyin Name	Chinese Name
TCMH641	Bufo melanostictus	Gan Chan	干蟾
TCMH2538	Zea mays	Yu Mi Xu	玉米须
TCMH1538	Baphicacanthus cusia	Nan Ban Lan Gen Jin Gao Fen	南板蓝根浸膏粉
TCMH1430	Hordeum vulgare	Mai Ya	麦芽
TCMH1281	Folium polygoni tinctorii	Liao Da Qing Ye	蓼大青叶
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
TCMH232	Bufo melanostictus	Chan Chu	蟾蜍
TCMH1537	Baphicacanthus cusia	Nan Ban Lan Gen	南板蓝根

Ingredient ID: TCMC2063
Formula: C10H12N2O

Common Name	Serotonin
IUPAC Name	3-(2-aminoethyl)-1H-indol-5-ol
Canonical SMILES	NCCc1c[nH]c2c1cc(O)cc2
Standard InCHI	InChI=1S/C10H12N2O/c11-4-3-7-6-12-10-2-1-8(13)5-9(7)10/h1-2,5-6,12-13H,3-4,11H2
Standard InCHIKey	QZAYGJVTTNCVMB-UHFFFAOYSA-N
External Identifiers	ChEMBL [CHEMBL39]; PubChem [5202];
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
TCMH366	Rheum officinale	Da Huang Liu Jin Gao	大黄流浸膏
TCMH1734	Homo sapiens	Ren Zhong Bai	人中白
TCMH363	Rheum officinale	Da Huang	大黄
TCMH365	Rheum officinale	Da Huang Jin Gao	大黄浸膏
TCMH232	Bufo melanostictus	Chan Chu	蟾蜍

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: TCMC153
Formula: C15H12O4

Common Name	(E)-3-(2,4-Dihydroxyphenyl)-1-(4-Hydroxyphenyl)Prop-2-En-1-One
IUPAC Name	(E)-3-(2,4-dihydroxyphenyl)-1-(4-hydroxyphenyl)prop-2-en-1-one
Canonical SMILES	Oc1ccc(cc1)C(=O)/C=C/c1ccc(cc1O)O
Standard InCHI	InChI=1S/C15H12O4/c16-12-5-1-10(2-6-12)14(18)8-4-11-3-7-13(17)9-15(11)19/h1-9,16-17,19H/b8-4+
Standard InCHIKey	VDYSHUXENHRSOO-XBXARRHUSA-N
External Identifiers	ChEMBL [CHEMBL3335591]; PubChem [5322052];
Reference of Component-Ingredient Pair	US9549908

Occurrence of the ingredient across TCM components

Component ID	Latin Name	Pinyin Name	Chinese Name
TCMH641	Bufo melanostictus	Gan Chan	干蟾
TCMH2135	Glycyrrhiza uralensis	Tu Gan Cao	土甘草
TCMH232	Bufo melanostictus	Chan Chu	蟾蜍
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: 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
TCMC153	C15H12O4	(E)-3-(2,4-Dihydroxyphenyl)-1-(4-Hydroxyphenyl)Prop-2-En-1-One	256.07	-1.2836	2.67	2.124	1	3	77.76	6	2	19
TCMC831	C24H32O4	Bufogenin	384.23	-0.0971	3.66	4.113	4	1	59.06	4	6	28
TCMC1209	C4H9NO2	Gamma-Aminobutyric Acid	103.06	-1.2313	1.57	-0.668	3	2	63.32	5	0	7
TCMC1997	C9H13NO3	Racepinephrine	183.09	-1.7378	2.01	-0.07	2	4	72.72	7	1	13
TCMC2063	C10H12N2O	Serotonin	176.09	-1.3634	2.23	0.547	2	3	62.04	4	2	13
TCMC2196	C15H8N2O2	Tryptanthrin	248.06	-0.8639	2.67	3.473	4	0	49.74	0	4	19

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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: Bufo melanostictus 蟾蜍

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: TCMC831

Occurrence of the ingredient across TCM components

Ingredient ID: TCMC2196

Occurrence of the ingredient across TCM components

Ingredient ID: TCMC2063

Occurrence of the ingredient across TCM components

Ingredient ID: TCMC1997

Occurrence of the ingredient across TCM components

Ingredient ID: TCMC153

Occurrence of the ingredient across TCM components

Ingredient ID: TCMC1209

Occurrence of the ingredient across TCM components

Properties

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