TCM-ID Component

Description of the Component

Component ID	TCMH2002
Latin Name	Cleistocalyx operculatus
English Name	NA
Chinese Pinyin Name	Shui Weng Hua
中文名	水翁花
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
TCMFx3418	Die Da Wan Hua You	跌打万花油
TCMF3485	Gan He Tea	甘和茶
TCMFx4475	Liu He Tea	六和茶
TCMFx4368	Mei Weng Tui Re Granules	梅翁退热颗粒
TCMFx4376	Mei Weng Tui Re Tablets	梅翁退热片
TCMFx5577	Qing Re Liang Tea	清热凉茶
TCMFx5694	Shang Ke Wan Hua You	伤科万花油
TCMFx5350	Shen Nong Cha Granules	神农茶颗粒
TCMFx5250	Wai Gan Ping An Tea	外感平安茶
TCMF6577	Yuan Ji Lin Gan He Tea	源吉林甘和茶

Targeted Human Proteins by the Ingredient of Component

Target ID	Gene Symbol	Target Name	Target Class	Uniprot ID
TCMT156	CYP19A1	Cytochrome P450 19A1	Oxidoreductase	P11511

Targeted Pathogenic Microbes by the Ingredient of Component

Target ID	Target Name
TCMT1136	Neuraminidase
TCMT1218	Staphylococcus aureus
TCMT1438	Plasmodium falciparum
TCMT1442	Leishmania donovani

Ingredient Structrues

Ingredient ID: TCMC2272
Formula: C18H18O5

Common Name	1-(2,4-Dihydroxy-6-Methoxy-3,5-Dimethylphenyl)-3-(4-Hydroxyphenyl)Prop-2-En-1-One
IUPAC Name	(E)-1-(2,4-dihydroxy-6-methoxy-3,5-dimethylphenyl)-3-(4-hydroxyphenyl)prop-2-en-1-one
Canonical SMILES	COc1c(C(=O)/C=C/c2ccc(cc2)O)c(O)c(c(c1C)O)C
Standard InCHI	InChI=1S/C18H18O5/c1-10-16(21)11(2)18(23-3)15(17(10)22)14(20)9-6-12-4-7-13(19)8-5-12/h4-9,19,21-22H,1-3H3/b9-6+
Standard InCHIKey	HTDSMOBGCNRBHQ-RMKNXTFCSA-N
External Identifiers	ChEMBL [CHEMBL1271157]; PubChem [49831446];
Reference of Component-Ingredient Pair	N/A

Occurrence of the ingredient across TCM components

Component ID	Latin Name	Pinyin Name	Chinese Name
TCMH2002	Cleistocalyx operculatus	Shui Weng Hua	水翁花

Ingredient ID: TCMC2262
Formula: C18H18O4

Common Name	4',6'-Dihydroxy-3',5'-Dimethyl-2'-Methoxychalcone
IUPAC Name	(E)-1-(2,4-dihydroxy-6-methoxy-3,5-dimethylphenyl)-3-phenylprop-2-en-1-one
Canonical SMILES	COc1c(C(=O)/C=C/c2ccccc2)c(O)c(c(c1C)O)C
Standard InCHI	InChI=1S/C18H18O4/c1-11-16(20)12(2)18(22-3)15(17(11)21)14(19)10-9-13-7-5-4-6-8-13/h4-10,20-21H,1-3H3/b10-9+
Standard InCHIKey	TZEQDSMFACWASC-MDZDMXLPSA-N
External Identifiers	ChEMBL [CHEMBL463095]; PubChem [10424762];
Reference of Component-Ingredient Pair	N/A

Occurrence of the ingredient across TCM components

Component ID	Latin Name	Pinyin Name	Chinese Name
TCMH2002	Cleistocalyx operculatus	Shui Weng Hua	水翁花

Ingredient ID: TCMC2255
Formula: C18H18O5

Common Name	2,2',4'-Trihydroxy-6'-Methoxy-3',5'-Dimethylchalcone
IUPAC Name	(E)-1-(2,4-dihydroxy-6-methoxy-3,5-dimethylphenyl)-3-(2-hydroxyphenyl)prop-2-en-1-one
Canonical SMILES	COc1c(C(=O)/C=C/c2ccccc2O)c(O)c(c(c1C)O)C
Standard InCHI	InChI=1S/C18H18O5/c1-10-16(21)11(2)18(23-3)15(17(10)22)14(20)9-8-12-6-4-5-7-13(12)19/h4-9,19,21-22H,1-3H3/b9-8+
Standard InCHIKey	SPWBEELZNSXNME-CMDGGOBGSA-N
External Identifiers	ChEMBL [CHEMBL509947]; PubChem [11771403];
Reference of Component-Ingredient Pair	N/A

Occurrence of the ingredient across TCM components

Component ID	Latin Name	Pinyin Name	Chinese Name
TCMH2002	Cleistocalyx operculatus	Shui Weng Hua	水翁花

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
TCMC1007	C17H16O4	Demethoxymatteucinol	284.1	-0.0701	2.89	2.717	1	2	66.76	5	3	21
TCMC2255	C18H18O5	2,2',4'-Trihydroxy-6'-Methoxy-3',5'-Dimethylchalcone	314.12	-0.0514	2.89	2.544	1	3	86.99	10	2	23
TCMC2262	C18H18O4	4',6'-Dihydroxy-3',5'-Dimethyl-2'-Methoxychalcone	298.12	0.4089	3	4.562	1	2	66.76	9	2	22
TCMC2272	C18H18O5	1-(2,4-Dihydroxy-6-Methoxy-3,5-Dimethylphenyl)-3-(4-Hydroxyphenyl)Prop-2-En-1-One	314.12	-0.0514	2.89	2.544	1	3	86.99	10	2	23

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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.)

Component: Cleistocalyx operculatus 水翁花

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

Ingredient ID: TCMC2272

Occurrence of the ingredient across TCM components

Ingredient ID: TCMC2262

Occurrence of the ingredient across TCM components

Ingredient ID: TCMC2255

Occurrence of the ingredient across TCM components

Ingredient ID: TCMC1007

Occurrence of the ingredient across TCM components

Properties

Download Data