TCM-ID Component

Prescription ID	Prescription English Name	Prescription Chinese Name
TCMFx2810	Bai He Di Huang Decoction	百合地黄汤

Targeted Human Proteins by the Ingredient of Component

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Target ID	Gene Symbol	Target Name	Target Class	Uniprot ID
TCMT1	EHMT2	Histone-lysine N-methyltransferase, H3 lysine-9 specific 3	Transferase	Q96KQ7
TCMT133	CA1	Carbonic anhydrase I	Lyase	P00915
TCMT134	CA2	Carbonic anhydrase II	Lyase	P00918
TCMT135	CA14	Carbonic anhydrase XIV	Lyase	Q9ULX7
TCMT136	CA12	Carbonic anhydrase XII	Lyase	O43570
TCMT137	CA9	Carbonic anhydrase IX	Lyase	Q16790
TCMT138	CA7	Carbonic anhydrase VII	Lyase	P43166
TCMT189	DUSP3	Dual specificity protein phosphatase 3	Hydrolase	P51452
TCMT267	GABRR1	GABA receptor rho-1 subunit	Ion channel	P24046
TCMT27	DRD1	Dopamine D1 receptor	GPCR	P21728

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Targeted Pathogenic Microbes by the Ingredient of Component

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Target ID	Target Name
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Ingredient Structrues

Ingredient ID: TCMC1566
Formula: C10H10O3

Common Name	Methyl P-Hydroxycinnamate
IUPAC Name	methyl (E)-3-(4-hydroxyphenyl)prop-2-enoate
Canonical SMILES	COC(=O)/C=C/c1ccc(cc1)O
Standard InCHI	InChI=1S/C10H10O3/c1-13-10(12)7-4-8-2-5-9(11)6-3-8/h2-7,11H,1H3/b7-4+
Standard InCHIKey	NITWSHWHQAQBAW-QPJJXVBHSA-N
External Identifiers	ChEMBL [CHEMBL146816]; PubChem [5319562];
Reference of Component-Ingredient Pair	N/A

Occurrence of the ingredient across TCM components

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Component ID	Latin Name	Pinyin Name	Chinese Name
TCMH1896	Radix rehmanniae	Sheng Di Huang	生地黄
TCMH1897	Radix rehmanniae	Sheng Di Huang Zhi	生地黄汁
TCMH213	Boschniakia rossica	Cao Cong Rong	草苁蓉
TCMH2147	Radix rehmanniae	Tu Sheng Di	土生地
TCMH2207	Schisandra sphenanthera	Wu Xiang Xue Teng	五香血藤
TCMH2513	Rhododendron mucronulatum	Ying Shan Hong	映山红
TCMH270	Clerodendrum trichotomum	Chou Wu Tong	臭梧桐
TCMH271	Clerodendrum trichotomum	Chou Wu Tong Ye	臭梧桐叶
TCMH600	Euonymus fortunei	Fu Fang Teng	扶芳藤

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Ingredient ID: TCMC1378
Formula: C29H36O15

Common Name	Isoacteoside
IUPAC Name	[(2R,3R,4S,5R,6R)-6-[2-(3,4-dihydroxyphenyl)ethoxy]-3,5-dihydroxy-4-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-2-yl]methyl (E)-3-(3,4-dihydroxyphenyl)prop-2-enoate
Canonical SMILES	O=C(OC[C@H]1O[C@@H](OCCc2ccc(c(c2)O)O)[C@@H]([C@H]([C@@H]1O)O[C@@H]1O[C@@H](C)[C@@H]([C@H]([C@H]1O)O)O)O)/C=C/c1ccc(c(c1)O)O
Standard InCHI	InChI=1S/C29H36O15/c1-13-22(35)24(37)25(38)29(42-13)44-27-23(36)20(12-41-21(34)7-4-14-2-5-16(30)18(32)10-14)43-28(26(27)39)40-9-8-15-3-6-17(31)19(33)11-15/h2-7,10-11,13,20,22-33,35-39H,8-9,12H2,1H3/b7-4+/t13-,20+,22-,23+,24+,25+,26+,27-,28+,29-/m0/s1
Standard InCHIKey	FNMHEHXNBNCPCI-QEOJJFGVSA-N
External Identifiers	ChEMBL [CHEMBL504873]; PubChem [6476333];
Reference of Component-Ingredient Pair	28616865

Occurrence of the ingredient across TCM components

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Component ID	Latin Name	Pinyin Name	Chinese Name
TCMH1008	Pogostemon cablin	Huo Xiang	藿香
TCMH1009	Pogostemon cablin	Huo Xiang Ye	藿香叶
TCMH1285	Orobanche coerulescens	Lie Dang	列当
TCMH130	Pinellia ternata	Ban Xia	半夏
TCMH131	Pinellia ternata	Ban Xia Qu	半夏曲
TCMH1677	Pinellia ternata	Qing Ban Xia	清半夏
TCMH1740	Cistanche deserticola	Rou Cong Rong	肉苁蓉
TCMH1894	Pinellia ternata	Sheng Ban Xia	生半夏
TCMH1896	Radix rehmanniae	Sheng Di Huang	生地黄
TCMH1897	Radix rehmanniae	Sheng Di Huang Zhi	生地黄汁

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Ingredient ID: TCMC1298
Formula: C10H13N5O5

Common Name	Guanosine
IUPAC Name	2-amino-9-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-3H-purin-6-one
Canonical SMILES	OC[C@H]1O[C@H]([C@@H]([C@@H]1O)O)n1cnc2c1[nH]c(=N)nc2O
Standard InCHI	InChI=1S/C10H13N5O5/c11-10-13-7-4(8(19)14-10)12-2-15(7)9-6(18)5(17)3(1-16)20-9/h2-3,5-6,9,16-18H,1H2,(H3,11,13,14,19)/t3-,5-,6-,9-/m1/s1
Standard InCHIKey	NYHBQMYGNKIUIF-UUOKFMHZSA-N
External Identifiers	ChEMBL [CHEMBL375655]; PubChem [6802];
Reference of Component-Ingredient Pair	N/A

Occurrence of the ingredient across TCM components

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Component ID	Latin Name	Pinyin Name	Chinese Name
TCMH1008	Pogostemon cablin	Huo Xiang	藿香
TCMH1009	Pogostemon cablin	Huo Xiang Ye	藿香叶
TCMH1127	Lonicera japonica	Jin Yin Hua	金银花
TCMH1128	Lonicera japonica	Jin Yin Hua Ti Qu Ye	金银花提取液
TCMH1197	Selaginella tamariscina	Juan Bai	卷柏
TCMH1296	Ganoderma lucidum	Ling Zhi Jin Gao	灵芝浸膏
TCMH1299	Ganoderma lucidum	Ling Zhi(1)	灵芝
TCMH130	Pinellia ternata	Ban Xia	半夏
TCMH131	Pinellia ternata	Ban Xia Qu	半夏曲
TCMH1423	Ophiopogon japonicus	Mai Dong	麦冬

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Ingredient ID: TCMC1209
Formula: C4H9NO2

Common Name	Gamma-Aminobutyric Acid
IUPAC Name	4-aminobutanoic acid
Canonical SMILES	NCCCC(=O)O
Standard InCHI	InChI=1S/C4H9NO2/c5-3-1-2-4(6)7/h1-3,5H2,(H,6,7)
Standard InCHIKey	BTCSSZJGUNDROE-UHFFFAOYSA-N
External Identifiers	ChEMBL [CHEMBL96]; PubChem [119];
Reference of Component-Ingredient Pair	29968805

Occurrence of the ingredient across TCM components

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Component ID	Latin Name	Pinyin Name	Chinese Name
TCMH1185	Lycium chinense	Gou Qi	枸杞
TCMH1186	Lycium chinense	Gou Qi Zi	枸杞子
TCMH126	Isatis indigotica	Ban Lan	板蓝
TCMH127	Isatis indigotica	Ban Lan Gen	板蓝根
TCMH130	Pinellia ternata	Ban Xia	半夏
TCMH131	Pinellia ternata	Ban Xia Qu	半夏曲
TCMH1343	Aloe vera	Lu Hui	芦荟
TCMH1510	Isatis indigotica	Mu Ban Lan Gen	木板蓝根
TCMH1512	Isatis indigotica	Mu Da Qing Ye	木大青叶
TCMH1575	Bubalus bubalis	Niu Jiao Fen	牛角粉

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Properties

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Ingredient ID	Formulae	Name	MW	AlogP	MlogP	XlogP	# HBA	# HBD	PSA	# Rotatable Bond	# Ring	# Heacy Atom	Lipinski RO5 Violation
TCMC1209	C4H9NO2	Gamma-Aminobutyric Acid	103.06	-1.2313	1.57	-0.668	3	2	63.32	5	0	7	0
TCMC1298	C10H13N5O5	Guanosine	283.09	-2.2152	1.46	-1.643	10	6	156.21	6	3	20	1
TCMC1378	C29H36O15	Isoacteoside	624.21	-4.2978	3	-0.202	11	9	245.29	21	4	44	3
TCMC1566	C10H10O3	Methyl P-Hydroxycinnamate	178.06	-0.088	2.23	2.207	2	1	46.53	5	1	13	0

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Download Data

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Component ID	TCMH1897
Latin Name	Radix rehmanniae
English Name	Fresh rehmannia root
Chinese Pinyin Name	Sheng Di Huang Zhi
中文名	生地黄汁
TCM Properties
TCM Meridians
Therapeutic Class English
Therapeutic Class Chinese
Functions
Toxicity	NA
Geo-authentic habitats (道地产区)	NA
Reference	Chinese Classical Prescriptions
Barcode ID
Barcode Source

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: Radix rehmanniae 生地黄汁

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

Properties

Download Data