TCM-ID Component

Description of the Component

Component ID	TCMH1363
Latin Name	Arundo donax
English Name	Giantreed rhizome
Chinese Pinyin Name	Lu Zhu Gen
中文名	芦竹根
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	ITSAN4867-14
Barcode Source	BOLDSYSTEMS

TCM Prescriptions with the Component

Prescription ID	Prescription English Name	Prescription Chinese Name
TCMF6882	Kou Yan Capsules	口炎胶囊
TCMF6982	Kou Yan Granules	口炎颗粒
TCMFx5234	Qu Gan Re Zhu She Oral Liquid	去感热注射液

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
TCMT101	PTPN1	Protein-tyrosine phosphatase 1B	Hydrolase	P18031
TCMT102	ACP1	Low molecular weight phosphotyrosine protein phosphatase	Hydrolase	P24666
TCMT103	PTPRF	Receptor-type tyrosine-protein phosphatase F (LAR)	Hydrolase	P10586
TCMT2	MAPT	Microtubule-associated protein tau	Unclassified	P10636
TCMT31	CYP2C19	Cytochrome P450 2C19	Oxidoreductase	P33261
TCMT33	CYP3A4	Cytochrome P450 3A4	Oxidoreductase	P08684
TCMT34	CYP2D6	Cytochrome P450 2D6	Oxidoreductase	P10635
TCMT633	SLC6A4	Serotonin transporter	Transporter	P31645
TCMT8	KDM4E	Lysine-specific demethylase 4D-like	Oxidoreductase	B2RXH2

Targeted Pathogenic Microbes by the Ingredient of Component

Target ID	Target Name
TCMT1218	Staphylococcus aureus
TCMT1224	Proteus mirabilis
TCMT1232	Pseudomonas aeruginosa
TCMT1246	Escherichia coli
TCMT1271	Shigella flexneri
TCMT1438	Plasmodium falciparum
TCMT1439	Mycobacterium smegmatis
TCMT1442	Leishmania donovani
TCMT1454	Bacillus subtilis
TCMT1463	Mycobacterium tuberculosis

Ingredient Structrues

Ingredient ID: TCMC832
Formula: C12H16N2O

Common Name	Bufotenine
IUPAC Name	3-[2-(dimethylamino)ethyl]-1H-indol-5-ol
Canonical SMILES	CN(CCc1c[nH]c2c1cc(O)cc2)C
Standard InCHI	InChI=1S/C12H16N2O/c1-14(2)6-5-9-8-13-12-4-3-10(15)7-11(9)12/h3-4,7-8,13,15H,5-6H2,1-2H3
Standard InCHIKey	VTTONGPRPXSUTJ-UHFFFAOYSA-N
External Identifiers	ChEMBL [CHEMBL416526]; PubChem [10257];
Reference of Component-Ingredient Pair	N/A

Occurrence of the ingredient across TCM components

Component ID	Latin Name	Pinyin Name	Chinese Name
TCMH1363	Arundo donax	Lu Zhu Gen	芦竹根

Ingredient ID: TCMC728
Formula: C17H14N2

Common Name	Arundine
IUPAC Name	3-(1H-indol-3-ylmethyl)-1H-indole
Canonical SMILES	c1ccc2c(c1)c(c[nH]2)Cc1c[nH]c2c1cccc2
Standard InCHI	InChI=1S/C17H14N2/c1-3-7-16-14(5-1)12(10-18-16)9-13-11-19-17-8-4-2-6-15(13)17/h1-8,10-11,18-19H,9H2
Standard InCHIKey	VFTRKSBEFQDZKX-UHFFFAOYSA-N
External Identifiers	ChEMBL [CHEMBL446452]; PubChem [3071];
Reference of Component-Ingredient Pair	N/A

Occurrence of the ingredient across TCM components

Component ID	Latin Name	Pinyin Name	Chinese Name
TCMH1363	Arundo donax	Lu Zhu Gen	芦竹根

Ingredient ID: TCMC2713
Formula: C12H14N2

Common Name	Tetrahydroharman
IUPAC Name	1-methyl-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole
Canonical SMILES	CC1NCCc2c1[nH]c1c2cccc1
Standard InCHI	InChI=1S/C12H14N2/c1-8-12-10(6-7-13-8)9-4-2-3-5-11(9)14-12/h2-5,8,13-14H,6-7H2,1H3
Standard InCHIKey	LPIJOZBIVDCQTE-UHFFFAOYSA-N
External Identifiers	ChEMBL [CHEMBL440524]; PubChem [91522];
Reference of Component-Ingredient Pair	N/A

Occurrence of the ingredient across TCM components

Component ID	Latin Name	Pinyin Name	Chinese Name
TCMH1363	Arundo donax	Lu Zhu Gen	芦竹根

Ingredient ID: TCMC2511
Formula: C32H52O2

Common Name	Beta-Amyrin Acetate
IUPAC Name	[(3S,4aR,6aR,6bS,8aR,12aR,14aR,14bR)-4,4,6a,6b,8a,11,11,14b-octamethyl-1,2,3,4a,5,6,7,8,9,10,12,12a,14,14a-tetradecahydropicen-3-yl] acetate
Canonical SMILES	CC(=O)O[C@H]1CC[C@]2([C@H](C1(C)C)CC[C@@]1([C@@H]2CC=C2[C@@]1(C)CC[C@@]1([C@H]2CC(C)(C)CC1)C)C)C
Standard InCHI	InChI=1S/C32H52O2/c1-21(33)34-26-13-14-30(7)24(28(26,4)5)12-15-32(9)25(30)11-10-22-23-20-27(2,3)16-17-29(23,6)18-19-31(22,32)8/h10,23-26H,11-20H2,1-9H3/t23-,24-,25+,26-,29+,30-,31+,32+/m0/s1
Standard InCHIKey	UMRPOGLIBDXFNK-ZYGITSNFSA-N
External Identifiers	ChEMBL [CHEMBL489760]; PubChem [92156];
Reference of Component-Ingredient Pair	21116772

Occurrence of the ingredient across TCM components

Component ID	Latin Name	Pinyin Name	Chinese Name
TCMH84	Ficus pumila	Bai Li	薜荔
TCMH2275	Dracocephalum moldavica	Xiang Qing Lan	香青兰
TCMH2659	Poria cocos	Zhu Fu Shen	朱茯神
TCMH2200	Firmiana simplex	Wu Tong Ye Jin Gao	梧桐叶浸膏
TCMH2371	Juniperus formosana	Yan Bai	岩柏
TCMH2267	Periploca sepium	Xiang Jia Pi	香加皮
TCMH1363	Arundo donax	Lu Zhu Gen	芦竹根
TCMH256	Wolfiporia cocos	Chi Fu Ling	赤茯苓
TCMH606	Wolfiporia cocos	Fu Ling	茯苓

Ingredient ID: TCMC2499
Formula: C24H32O7

Common Name	Grandisin
IUPAC Name	(2R,3R,4R,5R)-3,4-dimethyl-2,5-bis(3,4,5-trimethoxyphenyl)oxolane
Canonical SMILES	COc1cc(cc(c1OC)OC)[C@@H]1O[C@H]([C@@H]([C@H]1C)C)c1cc(OC)c(c(c1)OC)OC
Standard InCHI	InChI=1S/C24H32O7/c1-13-14(2)22(16-11-19(27-5)24(30-8)20(12-16)28-6)31-21(13)15-9-17(25-3)23(29-7)18(10-15)26-4/h9-14,21-22H,1-8H3/t13-,14-,21-,22-/m1/s1
Standard InCHIKey	ZPINJJOPURFFNV-LPINMEDASA-N
External Identifiers	ChEMBL [CHEMBL459404]; PubChem [10048436];
Reference of Component-Ingredient Pair	N/A

Occurrence of the ingredient across TCM components

Component ID	Latin Name	Pinyin Name	Chinese Name
TCMH1363	Arundo donax	Lu Zhu Gen	芦竹根

Ingredient ID: TCMC1598
Formula: C30H48O3

Common Name	Morolic Acid
IUPAC Name	(4aS,6aR,6aR,6bR,8aR,10S,12aR,14aS)-10-hydroxy-2,2,6a,6b,9,9,12a-heptamethyl-3,4,5,6,6a,7,8,8a,10,11,12,13,14,14a-tetradecahydropicene-4a-carboxylic acid
Canonical SMILES	O[C@H]1CC[C@]2([C@H](C1(C)C)CC[C@@]1([C@@H]2CC[C@H]2[C@@]1(C)CC[C@@]1(C2=CC(C)(C)CC1)C(=O)O)C)C
Standard InCHI	InChI=1S/C30H48O3/c1-25(2)14-16-30(24(32)33)17-15-28(6)19(20(30)18-25)8-9-22-27(5)12-11-23(31)26(3,4)21(27)10-13-29(22,28)7/h18-19,21-23,31H,8-17H2,1-7H3,(H,32,33)/t19-,21+,22-,23+,27+,28-,29-,30+/m1/s1
Standard InCHIKey	RGZSSKBTFGNUCG-VNTGHVHSSA-N
External Identifiers	ChEMBL [CHEMBL463665]; PubChem [489944];
Reference of Component-Ingredient Pair	N/A

Occurrence of the ingredient across TCM components

Component ID	Latin Name	Pinyin Name	Chinese Name
TCMH445	Hypericum japonicum	Di Er Cao	地耳草
TCMH1363	Arundo donax	Lu Zhu Gen	芦竹根

Ingredient ID: TCMC1288
Formula: C11H14N2

Common Name	Gramine
IUPAC Name	1-(1H-indol-3-yl)-N,N-dimethylmethanamine
Canonical SMILES	CN(Cc1c[nH]c2c1cccc2)C
Standard InCHI	InChI=1S/C11H14N2/c1-13(2)8-9-7-12-11-6-4-3-5-10(9)11/h3-7,12H,8H2,1-2H3
Standard InCHIKey	OCDGBSUVYYVKQZ-UHFFFAOYSA-N
External Identifiers	ChEMBL [CHEMBL254348]; PubChem [6890];
Reference of Component-Ingredient Pair	21303209

Occurrence of the ingredient across TCM components

Component ID	Latin Name	Pinyin Name	Chinese Name
TCMH1989	Pistia stratiotes	Shui Fu Rong	水芙蓉
TCMH1146	Oryza sativa	Jing Mi	粳米
TCMH1374	Ocimum basilicum	Luo Le	罗勒
TCMH1025	Loropetalum chinense	Ji Mu Ye Jin Gao	继木叶浸膏
TCMH1430	Hordeum vulgare	Mai Ya	麦芽
TCMH37	Smilax china	Ba Qia	菝葜
TCMH1363	Arundo donax	Lu Zhu Gen	芦竹根
TCMH1158	Ocimum basilicum	Jiu Ceng Ta	九层塔
TCMH1290	Ocimum basilicum	Ling Ling Xiang	零陵香

Properties

Ingredient ID	Formulae	Name	MW	AlogP	MlogP	XlogP	# HBA	# HBD	PSA	# Rotatable Bond	# Ring	# Heacy Atom	Lipinski RO5 Violation
TCMC728	C17H14N2	Arundine	246.12	-0.3846	3.11	4.426	2	2	31.58	2	4	19	0
TCMC832	C12H16N2O	Bufotenine	204.13	-0.3957	2.45	1.176	2	2	39.26	6	2	15	0
TCMC1288	C11H14N2	Gramine	174.12	-0.191	2.45	1.992	2	1	19.03	4	2	13	0
TCMC1598	C30H48O3	Morolic Acid	456.36	2.2574	4.43	9.671	3	2	57.53	10	5	33	1
TCMC2499	C24H32O7	Grandisin	432.21	-0.2989	3.33	3.08	1	0	64.61	16	3	31	0
TCMC2511	C32H52O2	Beta-Amyrin Acetate	468.4	3.3907	4.76	12.286	2	0	26.3	11	5	34	1
TCMC2713	C12H14N2	Tetrahydroharman	186.12	-0.5727	2.56	2.435	2	2	27.82	1	3	14	0

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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: Arundo donax 芦竹根

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: TCMC832

Occurrence of the ingredient across TCM components

Ingredient ID: TCMC728

Occurrence of the ingredient across TCM components

Ingredient ID: TCMC2713

Occurrence of the ingredient across TCM components

Ingredient ID: TCMC2511

Occurrence of the ingredient across TCM components

Ingredient ID: TCMC2499

Occurrence of the ingredient across TCM components

Ingredient ID: TCMC1598

Occurrence of the ingredient across TCM components

Ingredient ID: TCMC1288

Occurrence of the ingredient across TCM components

Properties

Download Data