TCM-ID Component

Component: Cancrinia discoidea 甘菊花

Description of the Component

Component ID	TCMH649
Latin Name	Cancrinia discoidea
English Name	Camomile
Chinese Pinyin Name	Gan Ju Hua
中文名	甘菊花
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
Barcode Source

TCM Prescriptions with the Component

Prescription ID	Prescription English Name	Prescription Chinese Name
TCMFx7301	Gou Teng Powder	钩藤散
TCMFx7248	Qiju Dihuang Pills	杞菊地黄丸
TCMFx2694	Uncaria Decoction	钩藤散

Targeted Human Proteins by the Ingredient of Component

Target ID	Gene Symbol	Target Name	Target Class	Uniprot ID
TCMT327	TRPV1	Vanilloid receptor	Ion channel	Q8NER1

Targeted Pathogenic Microbes by the Ingredient of Component

Target ID	Target Name
TCMT1218	Staphylococcus aureus
TCMT1438	Plasmodium falciparum
TCMT1455	Mycobacterium tuberculosis H37Rv

Ingredient Structrues

Ingredient ID: TCMC2712
Formula: C17H16O5

Common Name	(2S)-2'-Hydroxydemethoxymatteucinol
IUPAC Name	(2S)-5,7-dihydroxy-2-(2-hydroxyphenyl)-6,8-dimethyl-2,3-dihydrochromen-4-one
Canonical SMILES	Oc1ccccc1[C@@H]1CC(=O)c2c(O1)c(C)c(c(c2O)C)O
Standard InCHI	InChI=1S/C17H16O5/c1-8-15(20)9(2)17-14(16(8)21)12(19)7-13(22-17)10-5-3-4-6-11(10)18/h3-6,13,18,20-21H,7H2,1-2H3/t13-/m0/s1
Standard InCHIKey	WOGYXYDORXIAGE-ZDUSSCGKSA-N
External Identifiers	ChEMBL [CHEMBL1802147]; PubChem [157103];
Reference of Component-Ingredient Pair	N/A

Occurrence of the ingredient across TCM components

Component ID	Latin Name	Pinyin Name	Chinese Name
TCMH649	Cancrinia discoidea	Gan Ju Hua	甘菊花

Ingredient ID: TCMC1900
Formula: C14H12O2

Common Name	Pinosylvin
IUPAC Name	5-[(E)-2-phenylethenyl]benzene-1,3-diol
Canonical SMILES	Oc1cc(/C=C/c2ccccc2)cc(c1)O
Standard InCHI	InChI=1S/C14H12O2/c15-13-8-12(9-14(16)10-13)7-6-11-4-2-1-3-5-11/h1-10,15-16H/b7-6+
Standard InCHIKey	YCVPRTHEGLPYPB-VOTSOKGWSA-N
External Identifiers	ChEMBL [CHEMBL101506]; PubChem [5280457];
Reference of Component-Ingredient Pair	27116968

Occurrence of the ingredient across TCM components

Component ID	Latin Name	Pinyin Name	Chinese Name
TCMH649	Cancrinia discoidea	Gan Ju Hua	甘菊花
TCMH526	Eucommia ulmoides	Du Zhong Ye	杜仲叶
TCMH1519	Oroxylum indicum	Mu Hu Die	木蝴蝶
TCMH524	Eucommia ulmoides	Du Zhong	杜仲
TCMH525	Eucommia ulmoides	Du Zhong Tan	杜仲炭

Ingredient ID: TCMC1007
Formula: C17H16O4

Common Name	Demethoxymatteucinol
IUPAC Name	(2S)-5,7-dihydroxy-6,8-dimethyl-2-phenyl-2,3-dihydrochromen-4-one
Canonical SMILES	Cc1c2O[C@@H](CC(=O)c2c(c(c1O)C)O)c1ccccc1
Standard InCHI	InChI=1S/C17H16O4/c1-9-15(19)10(2)17-14(16(9)20)12(18)8-13(21-17)11-6-4-3-5-7-11/h3-7,13,19-20H,8H2,1-2H3/t13-/m0/s1
Standard InCHIKey	HAIHGFWQOPJMPV-ZDUSSCGKSA-N
External Identifiers	ChEMBL [CHEMBL53439]; PubChem [180550];
Reference of Component-Ingredient Pair	N/A

Occurrence of the ingredient across TCM components

Component ID	Latin Name	Pinyin Name	Chinese Name
TCMH649	Cancrinia discoidea	Gan Ju Hua	甘菊花
TCMH2002	Cleistocalyx operculatus	Shui Weng Hua	水翁花

Properties

Ingredient ID	Formulae	Name	MW	AlogP	MlogP	XlogP	# HBA	# HBD	PSA	# Rotatable Bond	# Ring	# Heacy Atom	Lipinski RO5 Violation
TCMC1007	C17H16O4	Demethoxymatteucinol	284.1	-0.0701	2.89	2.717	1	2	66.76	5	3	21	0
TCMC1900	C14H12O2	Pinosylvin	212.08	-0.4528	2.78	5.454	0	2	40.46	4	2	16	1
TCMC2712	C17H16O5	(2S)-2'-Hydroxydemethoxymatteucinol	300.1	-0.5304	2.78	1.332	1	3	86.99	6	3	22	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.)