TCM-ID Component

Component: Radix aconiti kusnezoffii 黑草乌

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	黑草乌
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	五味麝香丸

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
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
TCMH2630	Citrus aurantium	Zhi Shi	枳实
TCMH1105	Trollius chinensis	Jin Lian Hua	金莲花
TCMH827	Terminalia chebula	He Zi Rou	诃子肉
TCMH828	Radix aconiti kusnezoffii	Hei Cao Wu	黑草乌
TCMH1903	Zingiber officinale	Sheng Jiang	生姜
TCMH358	Areca catechu	Da Fu Zi	大腹子
TCMH222	Aconitum carmichaelii	Cao Wu	草乌
TCMH210	Terminalia chebula	Cang Qing Guo	藏青果
TCMH826	Terminalia chebula	He Zi	诃子
TCMH182	Areca catechu	Bing Lang	槟榔
TCMH253	Citrus aurantium	Cheng Pi	橙皮
TCMH2613	Citrus aurantium	Zhi Geng	枳梗
TCMH2618	Citrus aurantium	Zhi Ke	枳壳
TCMH2619	Citrus aurantium	Zhi Ke Gan Jin Gao	枳壳干浸膏

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	白蔹
TCMH231	Litsea rotundifolia	Chai Pi Zhang	豺皮樟
TCMH2630	Citrus aurantium	Zhi Shi	枳实
TCMH2360	Brucea javanica	Ya Dan Zi	鸦胆子
TCMH1117	Rhizoma fagopyri cymosi	Jin Qiao Mai	金荞麦
TCMH828	Radix aconiti kusnezoffii	Hei Cao Wu	黑草乌
TCMH1448	Mangifera indica	Mang Guo Ye	芒果叶
TCMH2373	Rhus chinensis	Yan Fu Mu	盐肤木
TCMH2175	Galla chinensis	Wu Bei Zi	五倍子
TCMH222	Aconitum carmichaelii	Cao Wu	草乌
TCMH253	Citrus aurantium	Cheng Pi	橙皮
TCMH2613	Citrus aurantium	Zhi Geng	枳梗
TCMH2618	Citrus aurantium	Zhi Ke	枳壳
TCMH2619	Citrus aurantium	Zhi Ke Gan Jin Gao	枳壳干浸膏

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.)