TCM-ID Component

Component: Caloglossa leprieurii é¹§é¸ªèœ

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	é¹§é¸ªèœ
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	å¤æ–¹é¹§é¸ªèœæ•£

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	é¹§é¸ªèœ

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	é¹§é¸ªèœ

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	é¹§é¸ªèœ

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

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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.)