TCM-ID Component

Description of the Component

Component ID	TCMH496
Latin Name	Atalantia buxifolia
English Name	attalanteae buxifoliae
Chinese Pinyin Name	Dong Feng Jie
中文名	东风桔
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	ITSAN4825-14
Barcode Source	BOLDSYSTEMS

TCM Prescriptions with the Component

Prescription ID	Prescription English Name	Prescription Chinese Name
TCMFx3191	Bai Mei Zhi Ke Infusion	百梅止咳冲剂
TCMFx3631	Fu Fang Jiu Bi Ying Capsules	复方救必应胶囊
TCMFx6827	Zhan Jiang She Yao	湛江蛇药

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
TCMT125	GBA	Beta-glucocerebrosidase	Hydrolase	P04062
TCMT2	MAPT	Microtubule-associated protein tau	Unclassified	P10636
TCMT207	BACE1	Beta-secretase 1	Protease	P56817
TCMT232	ABCB1	P-glycoprotein 1	Transporter	P08183
TCMT273	NR1H4	Bile acid receptor FXR	Nuclear receptor	Q96RI1
TCMT3	ALOX15	Arachidonate 15-lipoxygenase	Oxidoreductase	P16050
TCMT33	CYP3A4	Cytochrome P450 3A4	Oxidoreductase	P08684
TCMT751	DYRK1A	Dual-specificity tyrosine-phosphorylation regulated kinase 1A	Kinase	Q13627
TCMT8	KDM4E	Lysine-specific demethylase 4D-like	Oxidoreductase	B2RXH2
TCMT80	MAPK1	MAP kinase ERK2	Kinase	P28482
TCMT814	CLK1	Dual specificty protein kinase CLK1	Kinase	P49759

Targeted Pathogenic Microbes by the Ingredient of Component

Target ID	Target Name
TCMT1346	Helicobacter pylori

Ingredient Structrues

Ingredient ID: TCMC927
Formula: C15H13NO5

Common Name	Citrusinine-Ii
IUPAC Name	1,3,5-trihydroxy-4-methoxy-10-methylacridin-9-one
Canonical SMILES	COc1c(O)cc(c2c1n(C)c1c(c2=O)cccc1O)O
Standard InCHI	InChI=1S/C15H13NO5/c1-16-12-7(4-3-5-8(12)17)14(20)11-9(18)6-10(19)15(21-2)13(11)16/h3-6,17-19H,1-2H3
Standard InCHIKey	QEGXAAUCDUFHPJ-UHFFFAOYSA-N
External Identifiers	ChEMBL [CHEMBL465847]; PubChem [10016895];
Reference of Component-Ingredient Pair	N/A

Occurrence of the ingredient across TCM components

Component ID	Latin Name	Pinyin Name	Chinese Name
TCMH497	Atalantia buxifolia	Dong Feng Ju	东风橘
TCMH496	Atalantia buxifolia	Dong Feng Jie	东风桔

Ingredient ID: TCMC749
Formula: C19H22O3

Common Name	Auraptene
IUPAC Name	7-[(2E)-3,7-dimethylocta-2,6-dienoxy]chromen-2-one
Canonical SMILES	C/C(=CCOc1ccc2c(c1)oc(=O)cc2)/CCC=C(C)C
Standard InCHI	InChI=1S/C19H22O3/c1-14(2)5-4-6-15(3)11-12-21-17-9-7-16-8-10-19(20)22-18(16)13-17/h5,7-11,13H,4,6,12H2,1-3H3/b15-11+
Standard InCHIKey	RSDDHGSKLOSQFK-RVDMUPIBSA-N
External Identifiers	ChEMBL [CHEMBL307341]; PubChem [1550607];
Reference of Component-Ingredient Pair	20606349

Occurrence of the ingredient across TCM components

Component ID	Latin Name	Pinyin Name	Chinese Name
TCMH2630	Citrus aurantium	Zhi Shi	枳实
TCMH497	Atalantia buxifolia	Dong Feng Ju	东风橘
TCMH1390	Poncirus trifoliata	Lv Yi Zhi Shi	绿衣枳实
TCMH496	Atalantia buxifolia	Dong Feng Jie	东风桔
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: TCMC742
Formula: C18H15NO4

Common Name	Atolaphyllidine
IUPAC Name	6,11-dihydroxy-3,3-dimethyl-12H-pyrano[2,3-c]acridin-7-one
Canonical SMILES	Oc1cc2OC(C)(C)C=Cc2c2c1c(=O)c1c([nH]2)c(O)ccc1
Standard InCHI	InChI=1S/C18H15NO4/c1-18(2)7-6-9-13(23-18)8-12(21)14-16(9)19-15-10(17(14)22)4-3-5-11(15)20/h3-8,20-21H,1-2H3,(H,19,22)
Standard InCHIKey	QMIBOFBCPAGGAC-UHFFFAOYSA-N
External Identifiers	ChEMBL [CHEMBL452220]; PubChem [5479542];
Reference of Component-Ingredient Pair	N/A

Occurrence of the ingredient across TCM components

Component ID	Latin Name	Pinyin Name	Chinese Name
TCMH497	Atalantia buxifolia	Dong Feng Ju	东风橘
TCMH496	Atalantia buxifolia	Dong Feng Jie	东风桔

Ingredient ID: TCMC73
Formula: C38H34O19

Common Name	(2R,3R)-5,7-Diacetoxy-2-(3,4,5-Triacetoxyphenyl)-3,4-Dihydro-2H-Chromen-3-Yl 3,4,5-Triacetoxybenzoate
IUPAC Name	[(2R,3R)-5,7-diacetyloxy-2-(3,4,5-triacetyloxyphenyl)-3,4-dihydro-2H-chromen-3-yl] 3,4,5-triacetyloxybenzoate
Canonical SMILES	CC(=O)Oc1cc(OC(=O)C)c2c(c1)O[C@@H]([C@@H](C2)OC(=O)c1cc(OC(=O)C)c(c(c1)OC(=O)C)OC(=O)C)c1cc(OC(=O)C)c(c(c1)OC(=O)C)OC(=O)C
Standard InCHI	InChI=1S/C38H34O19/c1-16(39)48-26-13-28(49-17(2)40)27-15-34(57-38(47)25-11-32(52-20(5)43)37(55-23(8)46)33(12-25)53-21(6)44)35(56-29(27)14-26)24-9-30(50-18(3)41)36(54-22(7)45)31(10-24)51-19(4)42/h9-14,34-35H,15H2,1-8H3/t34-,35-/m1/s1
Standard InCHIKey	SVHJCTSSYQPWEV-VSJLXWSYSA-N
External Identifiers	ChEMBL [CHEMBL235389]; PubChem [11787645];
Reference of Component-Ingredient Pair	N/A

Occurrence of the ingredient across TCM components

Component ID	Latin Name	Pinyin Name	Chinese Name
TCMH497	Atalantia buxifolia	Dong Feng Ju	东风橘
TCMH496	Atalantia buxifolia	Dong Feng Jie	东风桔

Ingredient ID: TCMC1493
Formula: C10H18O

Common Name	Linalool (+)
IUPAC Name	(3R)-3,7-dimethylocta-1,6-dien-3-ol
Canonical SMILES	C=C[C@@](CCC=C(C)C)(O)C
Standard InCHI	InChI=1S/C10H18O/c1-5-10(4,11)8-6-7-9(2)3/h5,7,11H,1,6,8H2,2-4H3/t10-/m0/s1
Standard InCHIKey	CDOSHBSSFJOMGT-JTQLQIEISA-N
External Identifiers	ChEMBL [CHEMBL235672]; PubChem [443158];
Reference of Component-Ingredient Pair	22394400

Occurrence of the ingredient across TCM components

Component ID	Latin Name	Pinyin Name	Chinese Name
TCMH1533	Saussurea lappa	Mu Xiang	木香
TCMH907	Piper nigrum	Hu Jiao	胡椒
TCMH1063	Curcuma longa	Jiang Huang	姜黄
TCMH2407	Bupleurum chinense	Yan Tai Chai Hu	烟台柴胡
TCMH1126	Craibiodendron yunnanese	Jin Ye Zi	金叶子
TCMH2039	Caulis perillae frutescentis	Su Geng	苏梗
TCMH7	Ardisiae japonicae	Ai Di Cha Qing Gao	矮地茶清膏
TCMH924	Zanthoxylum bungeanum	Hua Jiao	花椒
TCMH2630	Citrus aurantium	Zhi Shi	枳实
TCMH265	Laggera pterodonta	Chu Ling Dan Cao	臭灵丹草
TCMH2506	Ginkgo biloba	Yin Xing Ye	银杏叶
TCMH1753	Boswellia carterii	Ru Xiang	乳香
TCMH2166	Clematis chinensis	Wei Ling Xian	威灵仙
TCMH1144	Schizonepetae herba	Jing Jie Tan	荆芥炭
TCMH2495	Artemisia capillaris	Yin Chen Hao Gan Jin Gao	茵陈蒿干浸膏
TCMH953	Aconitum vilmorinianum	Huang Cao Wu	黄草乌
TCMH1165	Murraya paniculata	Jiu Li Xiang	九里香
TCMH2201	Securidaca inappendiculata	Wu Wei Teng	五味藤
TCMH2143	Sophora flavescens	Tu Ku Shen	土苦参
TCMH2144	Inula helenium	Tu Mu Xiang	土木香
TCMH497	Atalantia buxifolia	Dong Feng Ju	东风橘
TCMH2303	Pericarpium citri reticulatae viride	Xiao Qing Pi	小青皮
TCMH491	Oleum ocimi gratissimi	Ding Xiang Luo Le You	丁香罗勒油
TCMH307	Cnidium officinale	Chuan Xiong Jin Gao	川芎浸膏
TCMH2244	Prunella vulgaris	Xia Ku Cao	夏枯草
TCMH316	Ailanthi cortex	Chun Pi	椿皮
TCMH2491	Alpinia oxyphylla	Yi Zhi Ren	益智仁
TCMH2642	Gardenia jasminoides	Zhi Zi Jin Gao	栀子浸膏
TCMH2003	Kyllinga brevifolia	Shui Wu Gong	水蜈蚣
TCMH607	Exodermis poria	Fu Ling Pi	茯苓皮
TCMH1343	Aloe vera	Lu Hui	芦荟
TCMH873	Radix et rhizoma rhodiolae	Hong Jing Tian	红景天
TCMH1923	Acorus tatarinowii	Shi Chang Pu Qing Gao	石菖蒲清膏
TCMH2710	Homo sapiens	Zi He Che	紫河车
TCMH1825	Litsea cubeba	Shan Jiang Zi	山姜子
TCMH1609	Eupatorium fortunei	Pei Lan	佩兰
TCMH1894	Pinellia ternata	Sheng Ban Xia	生半夏
TCMH215	Alpinia katsumadai	Cao Dou Kou Ren	草豆蔻仁
TCMH1979	Flos lonicerae	Shuang Hua	双花
TCMH290	Radix cudraniae	Chuan Po Shi	穿破石
TCMH108	Perilla frutescens	Bai Su Zi	白苏子
TCMH422	Angelica sinensis	Dang Gui Gan Jin Gao	当归干浸膏
TCMH1432	Vitex trifolia	Man Jing Zi	蔓荆子
TCMH243	Pericarpium citri reticulatae	Chen Pi	陈皮
TCMH2112	Radix smilacis	Tie Si Wei Ling Xian	铁丝威灵仙
TCMH2239	Asarum sieboldii	Xi Xin	细辛
TCMH2322	Prunus armeniaca	Xing Ren	杏仁
TCMH829	Semen pharbitidis	Hei Chou	黑丑
TCMH685	Syzygium aromaticum	Gong Ding Xiang	公丁香
TCMH1611	Rhizoma curcumae	Peng E Zhu	蓬莪术
TCMH1518	Chaenomeles sinensis	Mu Gua	木瓜
TCMH670	Ligusticum sinense	Gao Ben	藁本
TCMH2651	Elsholtzia splendens	Zhou Ye Xiang Ru	皱叶香薷
TCMH1033	Centella asiatica	Ji Xue Cao	积雪草
TCMH1486	Ephedra sinica	Mi Ma Huang	蜜麻黄
TCMH1661	Rhizoma homalomenae occultae	Qian Nian Jian	千年健
TCMH2206	Schisandra chinensis	Wu Wei Zi Liu Jin Gao	五味子流浸膏
TCMH2545	Houttuynia cordata	Yu Xing Cao	鱼腥草
TCMH1117	Rhizoma fagopyri cymosi	Jin Qiao Mai	金荞麦
TCMH970	Vitex negundo	Huang Jing Zi	黄荆子
TCMH2452	Chrysanthemum indicum	Ye Ju Hua	野菊花
TCMH1000	Foeniculum vulgare	Hui Xiang	茴香
TCMH2698	Valeriana officinalis	Zhua Di Hu	抓地虎
TCMH1903	Zingiber officinale	Sheng Jiang	生姜
TCMH447	Illicium difengpi	Di Feng Pi	地枫皮
TCMH2101	Eupatorium rebaudianum	Tian Ye Ju	甜叶菊
TCMH2320	Magnolia liliflora	Xin Yi Ren	辛夷仁
TCMH1531	Akebia quinata	Mu Tong	木通
TCMH1179	Citri exocarpium rubrum	Ju Hong	橘红
TCMH148	Glehnia littoralis	Bei Sha Shen Liu Jin Gao	北沙参流浸膏
TCMH1272	Forsythia suspensa	Lian Qiao	连翘
TCMH160	Piper cubeba	Bi Cheng Qie	毕澄茄
TCMH132	Scutellaria barbata	Ban Zhi Lian	半枝莲
TCMH2558	Rosa chinensis	Yue Ji Hua	月季花
TCMH1970	Pericarpium zanthoxyli	Shu Jiao	蜀椒
TCMH2055	Fructus amomi	Suo Sha Ren	缩砂仁
TCMH203	Acorus calamus	Cang Chang Pu	藏菖蒲
TCMH1741	Myristica fragrans	Rou Dou Kou	肉豆蔻
TCMH2267	Periploca sepium	Xiang Jia Pi	香加皮
TCMH1029	Paederia scandens	Ji Shi Teng	鸡矢藤
TCMH1804	Amomum villosum	Sha Ren Ye	砂仁叶
TCMH1184	Citrus reticulata	Ju Pi	橘皮
TCMH2180	Ficus carica	Wu Hua Guo	无花果
TCMH2722	Perilla frutescens var. arguta	Zi Su Ye	紫苏叶
TCMH2282	Citrus medica	Xiang Yuan Pi	香橼皮
TCMH1714	Lonicera japonica	Ren Dong Teng	忍冬藤
TCMH2213	Ipomoea cairica	Wu Zhao Long	五爪龙
TCMH13	Artemisia argyi	Ai Ye You	艾叶油
TCMH2211	Artemisia princeps	Wu Yue Ai	五月艾
TCMH214	Alpinia katsumadai	Cao Dou Kou	草豆蔻
TCMH1846	Artemisia capillaris	Shan Yin Chen	山茵陈
TCMH2154	Artemisia capillaris	Tu Yin Chen Hao	土茵陈蒿
TCMH2494	Artemisia capillaris	Yin Chen Hao	茵陈蒿
TCMH1803	Amomum villosum	Sha Ren	砂仁
TCMH1127	Lonicera japonica	Jin Yin Hua	金银花
TCMH1128	Lonicera japonica	Jin Yin Hua Ti Qu Ye	金银花提取液
TCMH421	Angelica sinensis	Dang Gui	当归
TCMH1292	Radix smilacis	Ling Xian	灵仙
TCMH2281	Citrus medica	Xiang Yuan	香橼
TCMH1225	Valeriana officinalis	Kuan Ye Xie Cao	宽叶缬草
TCMH2310	Valeriana officinalis	Xie Cao	缬草
TCMH52	Semen pharbitidis	Bai Chou	白丑
TCMH1734	Homo sapiens	Ren Zhong Bai	人中白
TCMH1398	Ephedra sinica	Ma Huang	麻黄
TCMH1399	Ephedra sinica	Ma Huang Gao	麻黄膏
TCMH1400	Ephedra sinica	Ma Huang Gen	麻黄根
TCMH1401	Ephedra sinica	Ma Huang Jin Gao	麻黄浸膏
TCMH130	Pinellia ternata	Ban Xia	半夏
TCMH131	Pinellia ternata	Ban Xia Qu	半夏曲
TCMH1677	Pinellia ternata	Qing Ban Xia	清半夏
TCMH1215	Sophora flavescens	Ku Shen	苦参
TCMH2080	Sophora flavescens	Teng Ku Shen	藤苦参
TCMH544	Curcuma aeruginosa	E Zhu	莪术
TCMH740	Rhizoma curcumae	Guang Xi E Zhu	广西莪术
TCMH1431	Vitex trifolia	Man Jing Ye	蔓荆叶
TCMH2488	Alpinia oxyphylla	Yi Zhi	益智
TCMH2276	Elsholtzia splendens	Xiang Ru	香薷
TCMH309	Curcuma longa	Chuan Yu Jin	川郁金
TCMH1178	Citrus reticulata	Ju He	橘核
TCMH458	Pericarpium citri reticulatae viride	Di Qing Pi	地青皮
TCMH1695	Pericarpium citri reticulatae viride	Qing Pi	青皮
TCMH496	Atalantia buxifolia	Dong Feng Jie	东风桔
TCMH12	Artemisia argyi	Ai Ye	艾叶
TCMH6	Ardisiae japonicae	Ai Di Cha	矮地茶
TCMH264	Laggera pterodonta	Chu Ling Dan	臭灵丹
TCMH64	Piper nigrum	Bai Hu Jiao	白胡椒
TCMH839	Piper nigrum	Hei Hu Jiao	黑胡椒
TCMH511	Litsea cubeba	Dou Chi Jiang	豆豉姜
TCMH1812	Litsea cubeba	Shan Cang Zi	山苍子
TCMH228	Bupleurum chinense	Chai Hu	柴胡
TCMH229	Bupleurum chinense	Chai Hu Jin Gao	柴胡浸膏
TCMH230	Bupleurum chinense	Chai Hu Shao	柴胡梢
TCMH60	Ginkgo biloba	Bai Guo	白果
TCMH61	Ginkgo biloba	Bai Guo Ren	白果仁
TCMH2316	Magnolia liliflora	Xin Yi	辛夷
TCMH2317	Magnolia liliflora	Xin Yi Hua	辛夷花
TCMH2319	Magnolia liliflora	Xin Yi Hua Jin Gao Fen	辛夷花浸膏粉
TCMH305	Cnidium officinale	Chuan Xiong	川芎
TCMH486	Syzygium aromaticum	Ding Xiang	丁香
TCMH2164	Clematis chinensis	Wei Ling	威灵
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
TCMH2202	Schisandra chinensis	Wu Wei Zi	五味子
TCMH2203	Schisandra chinensis	Wu Wei Zi Chun Jin Gao	五味子醇浸膏
TCMH2204	Schisandra chinensis	Wu Wei Zi Jin Chu Wu	五味子浸出物
TCMH2205	Schisandra chinensis	Wu Wei Zi Jin Gao	五味子浸膏
TCMH2721	Perilla frutescens var. arguta	Zi Su Geng	紫苏梗
TCMH1920	Acorus tatarinowii	Shi Chang Pu	石菖蒲
TCMH1922	Acorus tatarinowii	Shi Chang Pu Jin Gao	石菖蒲浸膏
TCMH147	Glehnia littoralis	Bei Sha Shen	北沙参
TCMH1856	Gardenia jasminoides	Shan Zhi	山栀
TCMH2641	Gardenia jasminoides	Zhi Zi	栀子

Properties

Ingredient ID	Formulae	Name	MW	AlogP	MlogP	XlogP	# HBA	# HBD	PSA	# Rotatable Bond	# Ring	# Heacy Atom	Lipinski RO5 Violation
TCMC73	C38H34O19	(2R,3R)-5,7-Diacetoxy-2-(3,4,5-Triacetoxyphenyl)-3,4-Dihydro-2H-Chromen-3-Yl 3,4,5-Triacetoxybenzoate	794.17	-0.9332	3.55	4.898	10	0	245.93	28	4	57	1
TCMC742	C18H15NO4	Atolaphyllidine	309.1	-0.697	2.89	2.247	2	3	78.79	4	4	23	0
TCMC749	C19H22O3	Auraptene	298.16	2.9159	3.22	5.074	1	0	35.53	9	2	22	1
TCMC927	C15H13NO5	Citrusinine-Ii	287.08	-1.581	2.45	0.213	2	3	90.23	6	3	21	0
TCMC1493	C10H18O	Linalool (+)	154.14	2.4692	2.45	2.468	1	1	20.23	8	0	11	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: Atalantia buxifolia 东风桔

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: TCMC927

Occurrence of the ingredient across TCM components

Ingredient ID: TCMC749

Occurrence of the ingredient across TCM components

Ingredient ID: TCMC742

Occurrence of the ingredient across TCM components

Ingredient ID: TCMC73

Occurrence of the ingredient across TCM components

Ingredient ID: TCMC1493

Occurrence of the ingredient across TCM components

Properties

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