TCM-ID Component

Prescription ID	Prescription English Name	Prescription Chinese Name
TCMF6920	Gu Tong Tie Ointment	骨通贴膏

Targeted Human Proteins by the Ingredient of Component

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Target ID	Gene Symbol	Target Name	Target Class	Uniprot ID
TCMT33	CYP3A4	Cytochrome P450 3A4	Oxidoreductase	P08684
TCMT46	F3	Coagulation factor III	Unclassified	P13726

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Targeted Pathogenic Microbes by the Ingredient of Component

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Ingredient Structrues

Ingredient ID: TCMC315
Formula: C21H25NO4

Common Name	2,3,9,10-Tetramethoxy-6,8,13,13A-Tetrahydro-5H-Isoquinolino[2,1-B]Isoquinoline
IUPAC Name	2,3,9,10-tetramethoxy-6,8,13,13a-tetrahydro-5H-isoquinolino[2,1-b]isoquinoline
Canonical SMILES	COc1cc2CCN3C(c2cc1OC)Cc1c(C3)c(OC)c(cc1)OC
Standard InCHI	InChI=1S/C21H25NO4/c1-23-18-6-5-13-9-17-15-11-20(25-3)19(24-2)10-14(15)7-8-22(17)12-16(13)21(18)26-4/h5-6,10-11,17H,7-9,12H2,1-4H3
Standard InCHIKey	AEQDJSLRWYMAQI-UHFFFAOYSA-N
External Identifiers	ChEMBL [CHEMBL187892]; PubChem [5417];
Reference of Component-Ingredient Pair	N/A

Occurrence of the ingredient across TCM components

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Component ID	Latin Name	Pinyin Name	Chinese Name
TCMH1064	Coptis chinensis	Jiang Huang Lian	姜黄连
TCMH1092	Stephania sinica	Jin Bu Huan	金不换
TCMH1161	Coptis chinensis	Jiu Huang Lian	酒黄连
TCMH1475	Glycyrrhiza uralensis	Mi Gan Cao	蜜甘草
TCMH1680	Sinomenium acutum	Qing Feng Teng	青风藤
TCMH1899	Glycyrrhiza uralensis	Sheng Gan Cao	生甘草
TCMH2135	Glycyrrhiza uralensis	Tu Gan Cao	土甘草
TCMH2248	Corydalis decumbens	Xia Tian Wu	夏天无
TCMH2330	Coptis chinensis	Xiong Huang Lian	雄黄连
TCMH2339	Rhizoma corydalis	Xuan Hu	玄胡

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Ingredient ID: TCMC1342
Formula: C21H25NO4.ClH

Common Name	Hydron;2,3,9,10-Tetramethoxy-6,8,13,13A-Tetrahydro-5H-Isoquinolino[2,1-B]Isoquinoline;Chloride
IUPAC Name	hydron;2,3,9,10-tetramethoxy-6,8,13,13a-tetrahydro-5H-isoquinolino[2,1-b]isoquinoline;chloride
Canonical SMILES	COc1cc2CCN3C(c2cc1OC)Cc1c(C3)c(OC)c(cc1)OC.Cl
Standard InCHI	InChI=1S/C21H25NO4.ClH/c1-23-18-6-5-13-9-17-15-11-20(25-3)19(24-2)10-14(15)7-8-22(17)12-16(13)21(18)26-4;/h5-6,10-11,17H,7-9,12H2,1-4H3;1H
Standard InCHIKey	MGSZZQQRTPWMEI-UHFFFAOYSA-N
External Identifiers	ChEMBL [CHEMBL1412574]; PubChem [645223];
Reference of Component-Ingredient Pair	N/A

Occurrence of the ingredient across TCM components

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Component ID	Latin Name	Pinyin Name	Chinese Name
TCMH1092	Stephania sinica	Jin Bu Huan	金不换
TCMH1475	Glycyrrhiza uralensis	Mi Gan Cao	蜜甘草
TCMH1899	Glycyrrhiza uralensis	Sheng Gan Cao	生甘草
TCMH2135	Glycyrrhiza uralensis	Tu Gan Cao	土甘草
TCMH2248	Corydalis decumbens	Xia Tian Wu	夏天无
TCMH2374	Phellodendron amurense	Yan Guan Huang Bai	盐关黄柏
TCMH2376	Corydalis yanhusuo	Yan Hu Suo	延胡索
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

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Properties

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Ingredient ID	Formulae	Name	MW	AlogP	MlogP	XlogP	# HBA	# HBD	PSA	# Rotatable Bond	# Ring	# Heacy Atom	Lipinski RO5 Violation
TCMC1342	C21H25NO4.ClH	Hydron;2,3,9,10-Tetramethoxy-6,8,13,13A-Tetrahydro-5H-Isoquinolino[2,1-B]Isoquinoline;Chloride	355.18	0.0968	3.22	2.548	1	0	40.16	8	4	26	0
TCMC315	C21H25NO4	2,3,9,10-Tetramethoxy-6,8,13,13A-Tetrahydro-5H-Isoquinolino[2,1-B]Isoquinoline	355.18	0.0968	3.22	2.548	1	0	40.16	8	4	26	0

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Component ID	TCMH1092
Latin Name	Stephania sinica
English Name	Chinese stephania
Chinese Pinyin Name	Jin Bu Huan
中文名	金不换
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	KJ566150
Barcode Source	GenBank

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: Stephania sinica 金不换

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

Properties

Download Data