TCM-ID Component

Description of the Component

Component ID	TCMH1764
Latin Name	Cortex berberidis
English Name	root or bark of reddrop barberry
Chinese Pinyin Name	San Ke Zhen
中文名	三棵针
TCM Properties
TCM Meridians
Therapeutic Class English
Therapeutic Class Chinese
Functions
Toxicity	NA
Geo-authentic habitats (道地产区)	NA
Reference	Chinese Pharmacopoeia (2015)
Barcode ID
Barcode Source

TCM Prescriptions with the Component

Prescription ID	Prescription English Name	Prescription Chinese Name
TCMFx3871	Fu Fang Pu Qin Tablets	复方蒲芩片
TCMFx4484	Jiang Tang Capsules	降糖胶囊
TCMFx5714	Qing Re Zhi Li Pills	清热治痢丸
TCMFx1388	Shisanwei Bangga Powder	十三味榜嘎散
TCMFx2422	Shisanwei Bangga Powder	十三味榜嘎散
TCMFx5685	Shuang Huang Xiao Yan Tablets	双黄消炎片
TCMF6598	Xun Ma Zhen Pills	荨麻疹丸

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
TCMT11	HIF1A	Hypoxia-inducible factor 1 alpha	Transcription factor	Q16665
TCMT125	GBA	Beta-glucocerebrosidase	Hydrolase	P04062
TCMT17	POLB	DNA polymerase beta	Transferase	P06746
TCMT18	GAA	Lysosomal alpha-glucosidase	Hydrolase	P10253
TCMT2	MAPT	Microtubule-associated protein tau	Unclassified	P10636
TCMT33	CYP3A4	Cytochrome P450 3A4	Oxidoreductase	P08684
TCMT34	CYP2D6	Cytochrome P450 2D6	Oxidoreductase	P10635
TCMT8	KDM4E	Lysine-specific demethylase 4D-like	Oxidoreductase	B2RXH2

Targeted Pathogenic Microbes by the Ingredient of Component

Target ID	Target Name
TCMT1438	Plasmodium falciparum
TCMT1465	Entamoeba histolytica

Ingredient Structrues

Ingredient ID: TCMC934
Formula: C20H19NO4

Common Name	Columbamine
IUPAC Name	3,9,10-trimethoxy-5,6-dihydroisoquinolino[2,1-b]isoquinolin-7-ium-2-ol
Canonical SMILES	COc1cc2CC[n+]3c(c2cc1O)cc1c(c3)c(OC)c(cc1)OC
Standard InCHI	InChI=1S/C20H19NO4/c1-23-18-5-4-12-8-16-14-10-17(22)19(24-2)9-13(14)6-7-21(16)11-15(12)20(18)25-3/h4-5,8-11H,6-7H2,1-3H3/p+1
Standard InCHIKey	YYFOFDHQVIODOQ-UHFFFAOYSA-O
External Identifiers	ChEMBL [CHEMBL400345]; PubChem [72310];
Reference of Component-Ingredient Pair	22314415

Occurrence of the ingredient across TCM components

Component ID	Latin Name	Pinyin Name	Chinese Name
TCMH1416	Thalictrum foliolosum	Ma Wei Lian	马尾连
TCMH2580	Coptis chinensis	Ze Xi Huang Lian	择细黄连
TCMH1765	Cortex berberidis	San Ke Zhen Pi	三棵针皮
TCMH2374	Phellodendron amurense	Yan Guan Huang Bai	盐关黄柏
TCMH1102	Tinospora capillipes	Jin Guo Lan	金果榄
TCMH2376	Corydalis yanhusuo	Yan Hu Suo	延胡索
TCMH1764	Cortex berberidis	San Ke Zhen	三棵针
TCMH717	Phellodendron amurense	Guan Huang Bai	关黄柏
TCMH949	Phellodendron amurense	Huang Bai	黄柏
TCMH950	Phellodendron amurense	Huang Bai Fen	黄柏粉
TCMH951	Phellodendron amurense	Huang Bai Tan	黄柏炭
TCMH283	Coptis chinensis	Chuan Huang Lian	川黄连
TCMH972	Coptis chinensis	Huang Lian	黄连
TCMH973	Coptis chinensis	Huang Lian Gan Jin Gao	黄连干浸膏
TCMH975	Coptis chinensis	Huang Lian Xu	黄连须
TCMH1064	Coptis chinensis	Jiang Huang Lian	姜黄连
TCMH1161	Coptis chinensis	Jiu Huang Lian	酒黄连
TCMH2330	Coptis chinensis	Xiong Huang Lian	雄黄连
TCMH2531	Coptis chinensis	Yu Huang Lian	萸黄连

Ingredient ID: TCMC2602
Formula: C37H40N2O6

Common Name	n.a.
IUPAC Name	n.a.
Canonical SMILES	COc1cc2CCN([C@@H]3c2cc1Oc1c2c(CCN([C@H]2Cc2ccc(Oc4cc(C3)ccc4O)cc2)C)cc(c1OC)OC)C
Standard InCHI	InChI=1S/C37H40N2O6/c1-38-14-12-24-19-32(41-3)33-21-27(24)28(38)17-23-8-11-30(40)31(18-23)44-26-9-6-22(7-10-26)16-29-35-25(13-15-39(29)2)20-34(42-4)36(43-5)37(35)45-33/h6-11,18-21,28-29,40H,12-17H2,1-5H3/t28-,29-/m0/s1
Standard InCHIKey	HGNHIFJNOKGSKI-VMPREFPWSA-N
External Identifiers	ChEMBL [CHEMBL510022]; PubChem [10031631];
Reference of Component-Ingredient Pair	N/A

Occurrence of the ingredient across TCM components

Component ID	Latin Name	Pinyin Name	Chinese Name
TCMH1416	Thalictrum foliolosum	Ma Wei Lian	马尾连
TCMH1765	Cortex berberidis	San Ke Zhen Pi	三棵针皮
TCMH2286	Berberis julianae	Xiao Bo Gen	小檗根
TCMH1601	Nelumbo nucifera	Ou Pian	藕片
TCMH1764	Cortex berberidis	San Ke Zhen	三棵针
TCMH814	Nelumbo nucifera	He Geng	荷梗
TCMH825	Nelumbo nucifera	He Ye	荷叶
TCMH1275	Nelumbo nucifera	Lian Zi	莲子
TCMH1276	Nelumbo nucifera	Lian Zi Xin	莲子心
TCMH1598	Nelumbo nucifera	Ou	藕
TCMH1599	Nelumbo nucifera	Ou Fen	藕粉

Ingredient ID: TCMC2383
Formula: C20H23NO4

Common Name	Magnoflorine
IUPAC Name	(6aS)-2,10-dimethoxy-6,6-dimethyl-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinoline-6-ium-1,11-diol
Canonical SMILES	COc1ccc2c(c1O)c1c(O)c(OC)cc3c1[C@H](C2)[N+](C)(C)CC3
Standard InCHI	InChI=1S/C20H23NO4/c1-21(2)8-7-12-10-15(25-4)20(23)18-16(12)13(21)9-11-5-6-14(24-3)19(22)17(11)18/h5-6,10,13H,7-9H2,1-4H3,(H-,22,23)/p+1/t13-/m0/s1
Standard InCHIKey	YLRXAIKMLINXQY-ZDUSSCGKSA-O
External Identifiers	ChEMBL [CHEMBL235428]; PubChem [73337];
Reference of Component-Ingredient Pair	24709313

Occurrence of the ingredient across TCM components

Component ID	Latin Name	Pinyin Name	Chinese Name
TCMH1416	Thalictrum foliolosum	Ma Wei Lian	马尾连
TCMH799	Sinomenium acutum	Han Fang Ji	汉防己
TCMH2580	Coptis chinensis	Ze Xi Huang Lian	择细黄连
TCMH1693	Aristolochia debilis	Qing Mu Xiang	青木香
TCMH1765	Cortex berberidis	San Ke Zhen Pi	三棵针皮
TCMH1825	Litsea cubeba	Shan Jiang Zi	山姜子
TCMH2374	Phellodendron amurense	Yan Guan Huang Bai	盐关黄柏
TCMH388	Ziziphus jujuba	Da Zao	大枣
TCMH555	Potentilla discolor	Fan Bai Cao	翻白草
TCMH1680	Sinomenium acutum	Qing Feng Teng	青风藤
TCMH565	Stephania tetrandra	Fang Ji	防己
TCMH1102	Tinospora capillipes	Jin Guo Lan	金果榄
TCMH2376	Corydalis yanhusuo	Yan Hu Suo	延胡索
TCMH1516	Cocculus trilobus	Mu Fang Ji	木防己
TCMH140	Menispermum dauricum	Bei Dou Gen	北豆根
TCMH718	Aristolochia manshuriensis	Guan Mu Tong	关木通
TCMH727	Aristolochia fangchi	Guang Fang Ji	广防己
TCMH1764	Cortex berberidis	San Ke Zhen	三棵针
TCMH717	Phellodendron amurense	Guan Huang Bai	关黄柏
TCMH949	Phellodendron amurense	Huang Bai	黄柏
TCMH950	Phellodendron amurense	Huang Bai Fen	黄柏粉
TCMH951	Phellodendron amurense	Huang Bai Tan	黄柏炭
TCMH1397	Aristolochia debilis	Ma Dou Ling	马兜铃
TCMH511	Litsea cubeba	Dou Chi Jiang	豆豉姜
TCMH1812	Litsea cubeba	Shan Cang Zi	山苍子
TCMH283	Coptis chinensis	Chuan Huang Lian	川黄连
TCMH972	Coptis chinensis	Huang Lian	黄连
TCMH973	Coptis chinensis	Huang Lian Gan Jin Gao	黄连干浸膏
TCMH975	Coptis chinensis	Huang Lian Xu	黄连须
TCMH1064	Coptis chinensis	Jiang Huang Lian	姜黄连
TCMH1161	Coptis chinensis	Jiu Huang Lian	酒黄连
TCMH2330	Coptis chinensis	Xiong Huang Lian	雄黄连
TCMH2531	Coptis chinensis	Yu Huang Lian	萸黄连

Ingredient ID: TCMC2369
Formula: C38H42N2O6

Common Name	Isotetrandrine
IUPAC Name	n.a.
Canonical SMILES	COc1c(OC)cc2c3c1Oc1cc4c(cc1OC)CCN([C@@H]4Cc1ccc(Oc4cc(C[C@@H]3N(CC2)C)ccc4OC)cc1)C
Standard InCHI	InChI=1S/C38H42N2O6/c1-39-15-13-25-20-32(42-4)34-22-28(25)29(39)17-23-7-10-27(11-8-23)45-33-19-24(9-12-31(33)41-3)18-30-36-26(14-16-40(30)2)21-35(43-5)37(44-6)38(36)46-34/h7-12,19-22,29-30H,13-18H2,1-6H3/t29-,30+/m1/s1
Standard InCHIKey	WVTKBKWTSCPRNU-IHLOFXLRSA-N
External Identifiers	ChEMBL [CHEMBL504757]; PubChem [5351212];
Reference of Component-Ingredient Pair	29898104

Occurrence of the ingredient across TCM components

Component ID	Latin Name	Pinyin Name	Chinese Name
TCMH1416	Thalictrum foliolosum	Ma Wei Lian	马尾连
TCMH1862	Cornus officinalis	Shan Zhu Yu	山茱萸
TCMH1326	Physeter catodon	Long Xian Xiang	龙涎香
TCMH1765	Cortex berberidis	San Ke Zhen Pi	三棵针皮
TCMH686	Caulis mahoniae	Gong Lao Mu	功劳木
TCMH565	Stephania tetrandra	Fang Ji	防己
TCMH1175	Cornus officinalis	Jiu Yu Rou	酒萸肉
TCMH1764	Cortex berberidis	San Ke Zhen	三棵针

Ingredient ID: TCMC1831
Formula: C21H22NO4

Common Name	Palmitine
IUPAC Name	2,3,9,10-tetramethoxy-5,6-dihydroisoquinolino[2,1-b]isoquinolin-7-ium
Canonical SMILES	COc1cc2CC[n+]3c(c2cc1OC)cc1c(c3)c(OC)c(cc1)OC
Standard InCHI	InChI=1S/C21H22NO4/c1-23-18-6-5-13-9-17-15-11-20(25-3)19(24-2)10-14(15)7-8-22(17)12-16(13)21(18)26-4/h5-6,9-12H,7-8H2,1-4H3/q+1
Standard InCHIKey	QUCQEUCGKKTEBI-UHFFFAOYSA-N
External Identifiers	ChEMBL [CHEMBL206106]; PubChem [19009];
Reference of Component-Ingredient Pair	22651959

Occurrence of the ingredient across TCM components

Component ID	Latin Name	Pinyin Name	Chinese Name
TCMH1416	Thalictrum foliolosum	Ma Wei Lian	马尾连
TCMH2126	Gaultheria yunnanensis	Tou Gu Xiang	透骨香
TCMH2580	Coptis chinensis	Ze Xi Huang Lian	择细黄连
TCMH1765	Cortex berberidis	San Ke Zhen Pi	三棵针皮
TCMH1950	Herba selaginellae doederleinii	Shi Shang Bai	石上柏
TCMH2374	Phellodendron amurense	Yan Guan Huang Bai	盐关黄柏
TCMH565	Stephania tetrandra	Fang Ji	防己
TCMH1102	Tinospora capillipes	Jin Guo Lan	金果榄
TCMH2376	Corydalis yanhusuo	Yan Hu Suo	延胡索
TCMH203	Acorus calamus	Cang Chang Pu	藏菖蒲
TCMH2248	Corydalis decumbens	Xia Tian Wu	夏天无
TCMH1764	Cortex berberidis	San Ke Zhen	三棵针
TCMH717	Phellodendron amurense	Guan Huang Bai	关黄柏
TCMH949	Phellodendron amurense	Huang Bai	黄柏
TCMH950	Phellodendron amurense	Huang Bai Fen	黄柏粉
TCMH951	Phellodendron amurense	Huang Bai Tan	黄柏炭
TCMH283	Coptis chinensis	Chuan Huang Lian	川黄连
TCMH972	Coptis chinensis	Huang Lian	黄连
TCMH973	Coptis chinensis	Huang Lian Gan Jin Gao	黄连干浸膏
TCMH975	Coptis chinensis	Huang Lian Xu	黄连须
TCMH1064	Coptis chinensis	Jiang Huang Lian	姜黄连
TCMH1161	Coptis chinensis	Jiu Huang Lian	酒黄连
TCMH2330	Coptis chinensis	Xiong Huang Lian	雄黄连
TCMH2531	Coptis chinensis	Yu Huang Lian	萸黄连

Ingredient ID: TCMC1424
Formula: C20H19NO4

Common Name	Jatrorrhizine
IUPAC Name	2,9,10-trimethoxy-5,6-dihydroisoquinolino[2,1-b]isoquinolin-7-ium-3-ol
Canonical SMILES	COC1=CC2=c3cc4ccc(c(c4c[n+]3CCC2=CC1=O)OC)OC
Standard InCHI	InChI=1S/C20H19NO4/c1-23-18-5-4-12-8-16-14-10-19(24-2)17(22)9-13(14)6-7-21(16)11-15(12)20(18)25-3/h4-5,8-11H,6-7H2,1-3H3/p+1
Standard InCHIKey	MXTLAHSTUOXGQF-UHFFFAOYSA-O
External Identifiers	ChEMBL [CHEMBL251055]; PubChem [72323];
Reference of Component-Ingredient Pair	22651959

Occurrence of the ingredient across TCM components

Component ID	Latin Name	Pinyin Name	Chinese Name
TCMH1416	Thalictrum foliolosum	Ma Wei Lian	马尾连
TCMH2580	Coptis chinensis	Ze Xi Huang Lian	择细黄连
TCMH1326	Physeter catodon	Long Xian Xiang	龙涎香
TCMH1765	Cortex berberidis	San Ke Zhen Pi	三棵针皮
TCMH2374	Phellodendron amurense	Yan Guan Huang Bai	盐关黄柏
TCMH2286	Berberis julianae	Xiao Bo Gen	小檗根
TCMH565	Stephania tetrandra	Fang Ji	防己
TCMH1102	Tinospora capillipes	Jin Guo Lan	金果榄
TCMH2376	Corydalis yanhusuo	Yan Hu Suo	延胡索
TCMH2248	Corydalis decumbens	Xia Tian Wu	夏天无
TCMH1764	Cortex berberidis	San Ke Zhen	三棵针
TCMH717	Phellodendron amurense	Guan Huang Bai	关黄柏
TCMH949	Phellodendron amurense	Huang Bai	黄柏
TCMH950	Phellodendron amurense	Huang Bai Fen	黄柏粉
TCMH951	Phellodendron amurense	Huang Bai Tan	黄柏炭
TCMH283	Coptis chinensis	Chuan Huang Lian	川黄连
TCMH972	Coptis chinensis	Huang Lian	黄连
TCMH973	Coptis chinensis	Huang Lian Gan Jin Gao	黄连干浸膏
TCMH975	Coptis chinensis	Huang Lian Xu	黄连须
TCMH1064	Coptis chinensis	Jiang Huang Lian	姜黄连
TCMH1161	Coptis chinensis	Jiu Huang Lian	酒黄连
TCMH2330	Coptis chinensis	Xiong Huang Lian	雄黄连
TCMH2531	Coptis chinensis	Yu Huang Lian	萸黄连

Properties

Ingredient ID	Formulae	Name	MW	AlogP	MlogP	XlogP	# HBA	# HBD	PSA	# Rotatable Bond	# Ring	# Heacy Atom	Lipinski RO5 Violation
TCMC934	C20H19NO4	Columbamine	338.14	-1.7924	3.11	2.45	0	1	51.8	7	4	25	0
TCMC1424	C20H19NO4	Jatrorrhizine	338.14	-1.5606	3.11	1.039	2	1	49.2	6	4	25	0
TCMC1831	C21H22NO4	Palmitine	352.15	-1.3839	3.22	2.969	0	0	40.8	8	4	26	0
TCMC2369	C38H42N2O6	Isotetrandrine	622.3	0.274	4.76	6.098	2	0	61.86	10	6	46	1
TCMC2383	C20H23NO4	Magnoflorine	342.17	-1.9843	3.11	1.008	0	2	58.92	8	4	25	0
TCMC2602	C37H40N2O6		608.29	-0.1345	4.65	5.579	2	1	72.86	9	6	45	1

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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: Cortex berberidis 三棵针

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: TCMC934

Occurrence of the ingredient across TCM components

Ingredient ID: TCMC2602

Occurrence of the ingredient across TCM components

Ingredient ID: TCMC2383

Occurrence of the ingredient across TCM components

Ingredient ID: TCMC2369

Occurrence of the ingredient across TCM components

Ingredient ID: TCMC1831

Occurrence of the ingredient across TCM components

Ingredient ID: TCMC1424

Occurrence of the ingredient across TCM components

Properties

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