TCM-ID Component

Component: Radix aconiti kusnezoffii é»‘è‰ä¹Œ

Description of the Component

Component ID	TCMH828
Latin Name	Radix aconiti kusnezoffii
English Name	Kusnezoff monkshood root
Chinese Pinyin Name	Hei Cao Wu
中文名	é»‘è‰ä¹Œ
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
TCMFx165	Wu Wei She Xiang Pills	äº”å‘³éºé¦™ä¸¸

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
TCMT133	CA1	Carbonic anhydrase I	Lyase	P00915
TCMT134	CA2	Carbonic anhydrase II	Lyase	P00918
TCMT139	CA6	Carbonic anhydrase VI	Lyase	P23280
TCMT17	POLB	DNA polymerase beta	Transferase	P06746
TCMT289	TBXAS1	Thromboxane-A synthase	Isomerase	P24557
TCMT39	PDE5A	Phosphodiesterase 5A	Hydrolase	O76074
TCMT636	POLA1	DNA polymerase alpha subunit	Transferase	P09884

Targeted Pathogenic Microbes by the Ingredient of Component

Target ID	Target Name
TCMT1090	Human immunodeficiency virus type 1 integrase
TCMT1109	Reverse transcriptase

Ingredient Structrues

Ingredient ID: TCMC2124
Formula: C76H52O46

Common Name	Tannic Acid
IUPAC Name	n.a.
Canonical SMILES	O=C(c1cc(O)c(c(c1)OC(=O)c1cc(O)c(c(c1)O)O)O)O[C@@H]1[C@@H](COC(=O)c2cc(O)c(c(c2)OC(=O)c2cc(O)c(c(c2)O)O)O)O[C@H]([C@@H]([C@H]1OC(=O)c1cc(O)c(c(c1)OC(=O)c1cc(O)c(c(c1)O)O)O)OC(=O)c1cc(O)c(c(c1)OC(=O)c1cc(O)c(c(c1)O)O)O)OC(=O)c1cc(O)c(c(c1)OC(=O)c1cc(O)c(c(c1)O)O)O
Standard InCHI	InChI=1S/C76H52O46/c77-32-1-22(2-33(78)53(32)92)67(103)113-47-16-27(11-42(87)58(47)97)66(102)112-21-52-63(119-72(108)28-12-43(88)59(98)48(17-28)114-68(104)23-3-34(79)54(93)35(80)4-23)64(120-73(109)29-13-44(89)60(99)49(18-29)115-69(105)24-5-36(81)55(94)37(82)6-24)65(121-74(110)30-14-45(90)61(100)50(19-30)116-70(106)25-7-38(83)56(95)39(84)8-25)76(118-52)122-75(111)31-15-46(91)62(101)51(20-31)117-71(107)26-9-40(85)57(96)41(86)10-26/h1-20,52,63-65,76-101H,21H2/t52-,63-,64+,65-,76+/m1/s1
Standard InCHIKey	LRBQNJMCXXYXIU-PPKXGCFTSA-N
External Identifiers	ChEMBL [CHEMBL506247]; PubChem [16129778];
Reference of Component-Ingredient Pair	N/A

Occurrence of the ingredient across TCM components

Component ID	Latin Name	Pinyin Name	Chinese Name
TCMH1105	Trollius chinensis	Jin Lian Hua	é‡‘èŽ²èŠ±
TCMH827	Terminalia chebula	He Zi Rou	è¯ƒåè‚‰
TCMH828	Radix aconiti kusnezoffii	Hei Cao Wu	é»‘è‰ä¹Œ
TCMH1903	Zingiber officinale	Sheng Jiang	ç”Ÿå§œ
TCMH358	Areca catechu	Da Fu Zi	å¤§è…¹å
TCMH222	Aconitum carmichaelii	Cao Wu	è‰ä¹Œ
TCMH210	Terminalia chebula	Cang Qing Guo	è—é’æžœ
TCMH826	Terminalia chebula	He Zi	è¯ƒå
TCMH182	Areca catechu	Bing Lang	æ§Ÿæ¦”
TCMH253	Citrus aurantium	Cheng Pi	æ©™çš®
TCMH2630	Citrus aurantium	Zhi Shi	æž³å®ž
TCMH2613	Citrus aurantium	Zhi Geng	æž³æ¢—
TCMH2618	Citrus aurantium	Zhi Ke	æž³å£³
TCMH2619	Citrus aurantium	Zhi Ke Gan Jin Gao	æž³å£³å¹²æµ¸è†

Ingredient ID: TCMC1041
Formula: C14H10O9

Common Name	Digallic Acid
IUPAC Name	3,4-dihydroxy-5-(3,4,5-trihydroxybenzoyl)oxybenzoic acid
Canonical SMILES	O=C(c1cc(O)c(c(c1)O)O)Oc1cc(cc(c1O)O)C(=O)O
Standard InCHI	InChI=1S/C14H10O9/c15-7-2-6(3-8(16)11(7)18)14(22)23-10-4-5(13(20)21)1-9(17)12(10)19/h1-4,15-19H,(H,20,21)
Standard InCHIKey	COVFEVWNJUOYRL-UHFFFAOYSA-N
External Identifiers	ChEMBL [CHEMBL366356]; PubChem [341];
Reference of Component-Ingredient Pair	22686580

Occurrence of the ingredient across TCM components

Component ID	Latin Name	Pinyin Name	Chinese Name
TCMH86	Ampelopsis japonica	Bai Lian	ç™½è”¹
TCMH231	Litsea rotundifolia	Chai Pi Zhang	è±ºçš®æ¨Ÿ
TCMH1117	Rhizoma fagopyri cymosi	Jin Qiao Mai	é‡‘èžéº¦
TCMH828	Radix aconiti kusnezoffii	Hei Cao Wu	é»‘è‰ä¹Œ
TCMH1448	Mangifera indica	Mang Guo Ye	èŠ’æžœå¶
TCMH222	Aconitum carmichaelii	Cao Wu	è‰ä¹Œ
TCMH253	Citrus aurantium	Cheng Pi	æ©™çš®
TCMH2630	Citrus aurantium	Zhi Shi	æž³å®ž
TCMH2360	Brucea javanica	Ya Dan Zi	é¸¦èƒ†å
TCMH2373	Rhus chinensis	Yan Fu Mu	ç›è‚¤æœ¨
TCMH2175	Galla chinensis	Wu Bei Zi	äº”å€å
TCMH2613	Citrus aurantium	Zhi Geng	æž³æ¢—
TCMH2618	Citrus aurantium	Zhi Ke	æž³å£³
TCMH2619	Citrus aurantium	Zhi Ke Gan Jin Gao	æž³å£³å¹²æµ¸è†

Properties

Ingredient ID	Formulae	Name	MW	AlogP	MlogP	XlogP	# HBA	# HBD	PSA	# Rotatable Bond	# Ring	# Heacy Atom	Lipinski RO5 Violation
TCMC1041	C14H10O9	Digallic Acid	322.03	-2.6324	2.01	0.395	3	6	164.75	10	2	23	1
TCMC2124	C76H52O46	Tannic Acid	1700.17	-12.6304	4.76	2.662	16	25	777.98	56	11	122	3

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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.)