TCM-ID Component

Description of the Component

Component ID	TCMH1834
Latin Name	Vitex quinata
English Name	NA
Chinese Pinyin Name	Shan Mu Jing
中文名	山牡荆
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	CRCZ2923-16, GBVG3721-11
Barcode Source	BOLDSYSTEMS

TCM Prescriptions with the Component

Prescription ID	Prescription English Name	Prescription Chinese Name
TCMFx5539	Shen Yan An Capsules	肾炎安胶囊
TCMFx5547	Shen Yan An Granules	肾炎安颗粒

Targeted Human Proteins by the Ingredient of Component

Target ID	Gene Symbol	Target Name	Target Class	Uniprot ID
TCMT131	ACHE	Acetylcholinesterase	Hydrolase	P22303
TCMT132	BCHE	Butyrylcholinesterase	Hydrolase	P06276
TCMT207	BACE1	Beta-secretase 1	Protease	P56817

Targeted Pathogenic Microbes by the Ingredient of Component

Target ID	Target Name
TCMT1458	Filobasidiella neoformans

Ingredient Structrues

Ingredient ID: TCMC2508
Formula: C32H46N4

Common Name	Complanadine D
IUPAC Name	n.a.
Canonical SMILES	C[C@@H]1C[C@H]2CC3=C([C@@]4(C1)[C@@H]2CCCN4)CC[C@@H](N3)c1cnc2c(c1)[C@@]13NCCC[C@@H]3[C@H](C2)C[C@H](C1)C
Standard InCHI	InChI=1S/C32H46N4/c1-19-12-22-15-30-26(31(16-19)24(22)5-3-9-34-31)7-8-28(36-30)23-13-27-29(33-18-23)14-21-11-20(2)17-32(27)25(21)6-4-10-35-32/h13,18-22,24-25,28,34-36H,3-12,14-17H2,1-2H3/t19-,20-,21+,22+,24-,25-,28-,31-,32-/m1/s1
Standard InCHIKey	JOBCREJXGBQGLZ-GHTUMDRJSA-N
External Identifiers	ChEMBL [CHEMBL376819]; PubChem [16066757];
Reference of Component-Ingredient Pair	N/A

Occurrence of the ingredient across TCM components

Component ID	Latin Name	Pinyin Name	Chinese Name
TCMH1834	Vitex quinata	Shan Mu Jing	山牡荆

Ingredient ID: TCMC2436
Formula: C32H42N2O3

Common Name	Complanadines C
IUPAC Name	n.a.
Canonical SMILES	C[C@@H]1C[C@H]2CC(=O)[C@@H]3[C@@]4(C1)[C@@H]2CC(=CN4CCC3)C1=C[C@@H]2[C@H]3C[C@H](C[C@]42N(C1=O)CCC[C@@H]4C(=O)C3)C
Standard InCHI	InChI=1S/C32H42N2O3/c1-18-9-20-12-28(35)24-5-3-7-33-17-22(11-26(20)31(24,33)15-18)23-14-27-21-10-19(2)16-32(27)25(29(36)13-21)6-4-8-34(32)30(23)37/h14,17-21,24-27H,3-13,15-16H2,1-2H3/t18-,19-,20+,21+,24-,25-,26-,27-,31+,32+/m1/s1
Standard InCHIKey	WIKLMEPVJASSRU-YSXVRAOPSA-N
External Identifiers	ChEMBL [CHEMBL388789]; PubChem [44421961];
Reference of Component-Ingredient Pair	N/A

Occurrence of the ingredient across TCM components

Component ID	Latin Name	Pinyin Name	Chinese Name
TCMH1834	Vitex quinata	Shan Mu Jing	山牡荆

Ingredient ID: TCMC2131
Formula: C4H6O6

Common Name	Tartrate
IUPAC Name	(2R,3R)-2,3-dihydroxybutanedioic acid
Canonical SMILES	O[C@H]([C@H](C(=O)O)O)C(=O)O
Standard InCHI	InChI=1S/C4H6O6/c5-1(3(7)8)2(6)4(9)10/h1-2,5-6H,(H,7,8)(H,9,10)/t1-,2-/m1/s1
Standard InCHIKey	FEWJPZIEWOKRBE-JCYAYHJZSA-N
External Identifiers	ChEMBL [CHEMBL1236315]; PubChem [444305];
Reference of Component-Ingredient Pair	22531183

Occurrence of the ingredient across TCM components

Component ID	Latin Name	Pinyin Name	Chinese Name
TCMH86	Ampelopsis japonica	Bai Lian	白蔹
TCMH1862	Cornus officinalis	Shan Zhu Yu	山茱萸
TCMH1834	Vitex quinata	Shan Mu Jing	山牡荆
TCMH921	Polygonum cuspidatum	Hu Zhang	虎杖
TCMH2137	Pogostemon cablin	Tu Huo Xiang	土藿香
TCMH1343	Aloe vera	Lu Hui	芦荟
TCMH2710	Homo sapiens	Zi He Che	紫河车
TCMH84	Ficus pumila	Bai Li	薜荔
TCMH428	Codonopsis pilosula	Dang Shen Qing Gao	党参清膏
TCMH1446	Vaccinium oxycoccos	Man Yue Mei	蔓越莓
TCMH2232	Scutellaria amoena	Xi Nan Huang Qin	西南黄芩
TCMH1518	Chaenomeles sinensis	Mu Gua	木瓜
TCMH2192	Prunus mume	Wu Mei Rou	乌梅肉
TCMH2048	Rumex acetosa	Suan Mo	酸模
TCMH863	Salvia prionitis	Hong Gen Cao	红根草
TCMH1448	Mangifera indica	Mang Guo Ye	芒果叶
TCMH1175	Cornus officinalis	Jiu Yu Rou	酒萸肉
TCMH426	Codonopsis pilosula	Dang Shen	党参
TCMH1734	Homo sapiens	Ren Zhong Bai	人中白
TCMH93	Prunus mume	Bai Mei Hua	白梅花
TCMH2191	Prunus mume	Wu Mei	乌梅
TCMH519	Pogostemon cablin	Du Huo Xiang	杜藿香
TCMH728	Pogostemon cablin	Guang Huo Xiang	广藿香
TCMH1008	Pogostemon cablin	Huo Xiang	藿香
TCMH1009	Pogostemon cablin	Huo Xiang Ye	藿香叶

Properties

Ingredient ID	Formulae	Name	MW	AlogP	MlogP	XlogP	# HBA	# HBD	PSA	# Rotatable Bond	# Ring	# Heacy Atom	Lipinski RO5 Violation
TCMC2131	C4H6O6	Tartrate	150.02	-1.7144	1.24	-2.238	6	4	115.06	7	0	10	0
TCMC2436	C32H42N2O3	Complanadines C	502.32	-2.072	4.43	4.105	5	0	57.69	3	8	37	0
TCMC2508	C32H46N4	Complanadine D	486.37	-2.9064	4.54	5.207	4	3	48.98	3	8	36	1

Download Data

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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: Vitex quinata 山牡荆

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: TCMC2508

Occurrence of the ingredient across TCM components

Ingredient ID: TCMC2436

Occurrence of the ingredient across TCM components

Ingredient ID: TCMC2131

Occurrence of the ingredient across TCM components

Properties

Download Data