TCM-ID Component

Component: Herba belladonnae 颠茄草

Description of the Component

Component ID	TCMH470
Latin Name	Herba belladonnae
English Name	Belladonna herb
Chinese Pinyin Name	Dian Qie Cao
中文名	颠茄草
TCM Properties	Pungent,Slightly Bitter
TCM Meridians
Therapeutic Class English
Therapeutic Class Chinese
Functions	Anticholinergics
Toxicity	NA
Geo-authentic habitats (道地产区)	NA
Reference	Chinese Pharmacopoeia (2015)
Barcode ID	AY028147
Barcode Source	GenBank

TCM Prescriptions with the Component

Prescription ID	Prescription English Name	Prescription Chinese Name
TCMFx1460	Belladonna Liquid Extract	颠茄流浸膏
TCMFx1171	Dian Qie Tincture	颠茄酊
TCMFx7135	Du Tong Xie Pills	肚痛泻丸
TCMFx5148	She Xiang Huo Xue Hua Yu Ointment	麝香活血化瘀膏
TCMFx5270	She Xiang Zhen Tong Ointment	麝香镇痛膏
TCMF5665	Wei Kang Ling Capsules	胃康灵胶囊
TCMFx6412	Xiao Yan Zhen Tong Ointment	消炎镇痛膏

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
TCMT17	POLB	DNA polymerase beta	Transferase	P06746
TCMT290	CHRM5	Muscarinic acetylcholine receptor M5	GPCR	P08912
TCMT291	CHRM3	Muscarinic acetylcholine receptor M3	GPCR	P20309
TCMT292	CHRM1	Muscarinic acetylcholine receptor M1	GPCR	P11229
TCMT293	CHRM2	Muscarinic acetylcholine receptor M2	GPCR	P08172
TCMT31	CYP2C19	Cytochrome P450 2C19	Oxidoreductase	P33261
TCMT8	KDM4E	Lysine-specific demethylase 4D-like	Oxidoreductase	B2RXH2

Targeted Pathogenic Microbes by the Ingredient of Component

Target ID	Target Name

Ingredient Structrues

Ingredient ID: TCMC5807
Formula: C13H24N2O

Common Name	Cuscohygrine
IUPAC Name	1,3-bis[(2R)-1-methylpyrrolidin-2-yl]propan-2-one
Canonical SMILES	O=C(C[C@H]1CCC[NH+]1C)C[C@H]1CCC[NH+]1C
Standard InCHI	InChI=1S/C13H24N2O/c1-14-7-3-5-11(14)9-13(16)10-12-6-4-8-15(12)2/h11-12H,3-10H2,1-2H3/p+2/t11-,12-/m1/s1
Standard InCHIKey	ZEBIACKKLGVLFZ-VXGBXAGGSA-P
External Identifiers	ChEMBL [N/A]; PubChem [11816962];
Reference of Component-Ingredient Pair	N/A

Occurrence of the ingredient across TCM components

Component ID	Latin Name	Pinyin Name	Chinese Name
TCMH470	Herba belladonnae	Dian Qie Cao	颠茄草

Ingredient ID: TCMC1107
Formula: C17H23NO3

Common Name	Endo-Atropine
IUPAC Name	[(1S,5R)-8-methyl-8-azabicyclo[3.2.1]octan-3-yl] (2S)-3-hydroxy-2-phenylpropanoate
Canonical SMILES	OC[C@H](c1ccccc1)C(=O)OC1C[C@@H]2CC[C@H](C1)N2C
Standard InCHI	InChI=1S/C17H23NO3/c1-18-13-7-8-14(18)10-15(9-13)21-17(20)16(11-19)12-5-3-2-4-6-12/h2-6,13-16,19H,7-11H2,1H3/t13-,14+,15?,16-/m1/s1
Standard InCHIKey	RKUNBYITZUJHSG-VFSICIBPSA-N
External Identifiers	ChEMBL [CHEMBL2449003]; PubChem [154417];
Reference of Component-Ingredient Pair	N/A

Occurrence of the ingredient across TCM components

Component ID	Latin Name	Pinyin Name	Chinese Name
TCMH2367	Linum usitatissimum	Ya Ma Zi	亚麻子
TCMH1830	Anisodus tanguticus	Shan Lang Dang	山莨菪
TCMH1186	Lycium chinense	Gou Qi Zi	枸杞子
TCMH2748	Datura stramonium	Zui Xian Tao	醉仙桃
TCMH2449	Atropa belladonna	Ye Dian Qie	野颠茄
TCMH470	Herba belladonnae	Dian Qie Cao	颠茄草
TCMH2431	Datura metel	Yang Jin Hua	洋金花
TCMH1185	Lycium chinense	Gou Qi	枸杞
TCMH1444	Datura metel	Man Tuo Luo Ye	曼陀罗叶
TCMH1445	Datura metel	Man Tuo Luo Zi	曼陀罗子
TCMH471	Atropa belladonna	Dian Qie Jin Gao	颠茄浸膏
TCMH472	Atropa belladonna	Dian Qie Liu Jin Gao	颠茄流浸膏
TCMH209	Anisodus tanguticus	Cang Qie Gen	藏茄根
TCMH584	Datura stramonium	Feng Qie Hua	枫茄花
TCMH1442	Datura stramonium	Man Tuo Luo	曼陀罗
TCMH1443	Datura stramonium	Man Tuo Luo Jin Gao	曼陀罗浸膏

Properties

Ingredient ID	Formulae	Name	MW	AlogP	MlogP	XlogP	# HBA	# HBD	PSA	# Rotatable Bond	# Ring	# Heacy Atom	Lipinski RO5 Violation
TCMC1107	C17H23NO3	Endo-Atropine	289.17	-1.8722	2.89	3.538	4	1	49.77	7	3	21	0
TCMC5807	C13H24N2O	Cuscohygrine	226.2045135	-4.107	2.56	0.319	1	2	25.95	4	2	16	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.)