TCM-ID Component

Component: Caloglossa leprieurii 鹧鸪菜

Description of the Component

Component ID	TCMH2598
Latin Name	Caloglossa leprieurii
English Name	Leprieur caloglossa frond
Chinese Pinyin Name	Zhe Gu Cai
中文名	鹧鸪菜
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	GBRED422-13
Barcode Source	BOLDSYSTEMS

TCM Prescriptions with the Component

Prescription ID	Prescription English Name	Prescription Chinese Name
TCMFx3354	Fu Fang Zhe Gu Cai Powder	复方鹧鸪菜散

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
TCMT107	GRIK2	Glutamate receptor ionotropic kainate 2	Ion channel	Q13002
TCMT108	GRIA1	Glutamate receptor ionotropic, AMPA 1	Ion channel	P42261
TCMT109	GRIA2	Glutamate receptor ionotropic, AMPA 2	Ion channel	P42262
TCMT110	GRIA4	Glutamate receptor ionotropic, AMPA 4	Ion channel	P48058
TCMT111	GRIK5	Glutamate receptor ionotropic kainate 5	Ion channel	Q16478
TCMT112	ADORA3	Adenosine A3 receptor	GPCR	P0DMS8

Targeted Pathogenic Microbes by the Ingredient of Component

Target ID	Target Name

Ingredient Structrues

Ingredient ID: TCMC95
Formula: C10H15NO4

Common Name	(2S,3S,4R)-3-(Carboxymethyl)-4-Prop-1-En-2-Ylpyrrolidine-2-Carboxylic Acid
IUPAC Name	(2S,3S,4R)-3-(carboxymethyl)-4-prop-1-en-2-ylpyrrolidine-2-carboxylic acid
Canonical SMILES	OC(=O)C[C@H]1[C@@H](CN[C@@H]1C(=O)O)C(=C)C
Standard InCHI	InChI=1S/C10H15NO4/c1-5(2)7-4-11-9(10(14)15)6(7)3-8(12)13/h6-7,9,11H,1,3-4H2,2H3,(H,12,13)(H,14,15)/t6-,7-,9-/m0/s1
Standard InCHIKey	VLSMHEGGTFMBBZ-ZKWXMUAHSA-N
External Identifiers	ChEMBL [CHEMBL1598042]; PubChem [6603893];
Reference of Component-Ingredient Pair	N/A

Occurrence of the ingredient across TCM components

Component ID	Latin Name	Pinyin Name	Chinese Name
TCMH2598	Caloglossa leprieurii	Zhe Gu Cai	鹧鸪菜

Ingredient ID: TCMC760
Formula: C14H10O6

Common Name	Bellidifolin
IUPAC Name	1,5,8-trihydroxy-3-methoxyxanthen-9-one
Canonical SMILES	COc1cc(O)c2c(c1)oc1c(c2=O)c(O)ccc1O
Standard InCHI	InChI=1S/C14H10O6/c1-19-6-4-9(17)11-10(5-6)20-14-8(16)3-2-7(15)12(14)13(11)18/h2-5,15-17H,1H3
Standard InCHIKey	JDIORNFCMMYMLF-UHFFFAOYSA-N
External Identifiers	ChEMBL [CHEMBL185776]; PubChem [5281623];
Reference of Component-Ingredient Pair	N/A

Occurrence of the ingredient across TCM components

Component ID	Latin Name	Pinyin Name	Chinese Name
TCMH2598	Caloglossa leprieurii	Zhe Gu Cai	鹧鸪菜

Ingredient ID: TCMC1434
Formula: C10H15NO4

Common Name	Kainic Acid
IUPAC Name	(2S,3S,4S)-3-(carboxymethyl)-4-prop-1-en-2-ylpyrrolidin-1-ium-2-carboxylate
Canonical SMILES	OC(=O)C[C@H]1[C@H](CN[C@@H]1C(=O)O)C(=C)C
Standard InCHI	InChI=1S/C10H15NO4/c1-5(2)7-4-11-9(10(14)15)6(7)3-8(12)13/h6-7,9,11H,1,3-4H2,2H3,(H,12,13)(H,14,15)/t6-,7+,9-/m0/s1
Standard InCHIKey	VLSMHEGGTFMBBZ-OOZYFLPDSA-N
External Identifiers	ChEMBL [CHEMBL275040]; PubChem [44338126];
Reference of Component-Ingredient Pair	N/A

Occurrence of the ingredient across TCM components

Component ID	Latin Name	Pinyin Name	Chinese Name
TCMH2598	Caloglossa leprieurii	Zhe Gu Cai	鹧鸪菜

Properties

Ingredient ID	Formulae	Name	MW	AlogP	MlogP	XlogP	# HBA	# HBD	PSA	# Rotatable Bond	# Ring	# Heacy Atom	Lipinski RO5 Violation
TCMC95	C10H15NO4	(2S,3S,4R)-3-(Carboxymethyl)-4-Prop-1-En-2-Ylpyrrolidine-2-Carboxylic Acid	213.1	-0.469	2.01	-0.213	5	3	86.63	7	1	15	0
TCMC760	C14H10O6	Bellidifolin	274.05	-1.8506	2.34	0.17	1	3	96.22	5	3	20	0
TCMC1434	C10H15NO4	Kainic Acid	213.1	-0.469	2.01	-0.213	5	3	86.63	7	1	15	0

Download Data

All data can be downloaded by:

→ Selecting data type in the below download table
→ Then click the download button.

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.)