TCM-ID Component

Description of the Component

Component ID	TCMH925
Latin Name	Exocarpium citri grandis
English Name	Pummelo peel
Chinese Pinyin Name	Hua Ju Hong
中文名	化橘红
TCM Properties	Mild,Bitter
TCM Meridians	Liver
Therapeutic Class English	Regulation of qi
Therapeutic Class Chinese	理气
Functions	dispel cold, eliminate damp and phlegm, and arrest emesis or nausea
Toxicity	NA
Geo-authentic habitats (道地产区)	Guangdong Province,Hong Kong,Macao
Reference	Chinese Pharmacopoeia (2015)
Barcode ID
Barcode Source

TCM Prescriptions with the Component

Prescription ID	Prescription English Name	Prescription Chinese Name
TCMFx817	Bao Ji Oral Liquid	保济口服液
TCMF3350	Bao Ji Oral Liquid	保济口服液
TCMF3358	Bao Ji Pills	保济丸
TCMFx818	Bao Ji Pills	保济丸
TCMFx3413	Bao Tong Hua Tan Pills	保童化痰丸
TCMFx3100	Bu Yi Zi Sheng Pills	补益资生丸
TCMFx3026	Chan Hou Bu Pills	产后补丸
TCMFx3418	Die Da Wan Hua You	跌打万花油
TCMF6939	Er Gan Qing Oral Liquid	儿感清口服液
TCMF3129	Fa Ban Xia Qu	法制半夏曲
TCMF3756	Fu Bao Jin Pills	妇宝金丸
TCMFx3253	Fu Fang Bei Mu Powder	复方贝母散
TCMFx6923	Fu Fang Bei Mu Tablets	复方贝母片
TCMFx3332	Fu Fang Chuan Bei Zhi Ke Syrup	复方川贝止咳糖浆
TCMFx3353	Fu Fang Chun Sha Granules	复方春砂颗粒
TCMFx3937	Gao Xue Ya Su Jiang Pills	高血压速降丸
TCMF4004	Ge Jie Yang Fei Pills	蛤蚧养肺丸
TCMF4658	Hou Pu Wen Zhong Pills	厚朴温中丸
TCMFx4719	Jia Wei Gan Mao Pills	加味感冒丸
TCMFx6889	Jing Dou Nian Ci An Mi Lian Chuan Bei Pi Pa Ointment	京都念慈菴蜜炼川贝枇杷膏
TCMF4339	Jing Zhi Ke Sou Tan Chuan Pills	京制咳嗽痰喘丸
TCMFx4743	Ju Hong Li Ointment	橘红梨膏
TCMFx4751	Ju Hong Pi Pa Tablets	橘红枇杷片
TCMFx4765	Ju Hong Tan Ke Granules	橘红痰咳颗粒
TCMFx4758	Ju Hong Tan Ke Jian Ointment	橘红痰咳煎膏
TCMFx4773	Ju Hong Tan Ke Oral Liquid	橘红痰咳液
TCMFx7169	Ju Hong Tan Ke Pao Teng Tablets	橘红痰咳泡腾片
TCMFx1174	Ju Hong Capsule	橘红胶囊
TCMFx1176	Ju Hong Granules	橘红颗粒
TCMFx1173	Ju Hong Hua Tan Pills	橘红化痰丸
TCMFx1172	Ju Hong Tablet	橘红片
TCMFx1175	Ju Hong Tan Ke Liquid	橘红痰咳液
TCMFx4263	Ke Chuan Shu Tablets	咳喘舒片
TCMF4676	Kun Shun Pills	坤顺丸
TCMFx4698	Lai Yang Li Ointment	莱阳梨膏
TCMFx4672	Nang Chong Pills	囊虫丸
TCMF4876	Ning Kun Pills	宁坤丸
TCMFx2561	Pill for Relieving Epilepsy	定痫丸
TCMF4925	Qi Guan Yan Pills	气管炎丸
TCMF5333	Qing Jin Ning Fei Pills	清金宁肺丸
TCMF5340	Qing Jin Zhi Sou Hua Tan Pills	清金止嗽化痰丸
TCMF5348	Qing Jin Zhi Sou Xi Gua Ointment	清金止嗽西瓜膏
TCMFx5575	Rong Kun Pills	茸坤丸
TCMFx5216	San Feng Ning Sou Syrup	散风宁嗽糖浆
TCMFx5018	She Dan Zhui Feng Pills	蛇胆追风丸
TCMF3508	Shen Rong Bao Tai Pills	参茸保胎丸
TCMFx3597	Shen Rong Lu Tai Ointment	参茸鹿胎膏
TCMFx5229	Tai He Miao Ling Pills	太和妙灵丸
TCMFx5490	Wu Li Hui Chun Pills	五粒回春丸
TCMFx6143	Xiao Er Niu Huang Granules	小儿牛黄颗粒
TCMF6256	Xiao Er Qing Fei Pills	小儿清肺丸
TCMFx6497	Xiao Er Zeng Shi Pills	小儿增食丸
TCMFx6595	Xiao Er Zhu Huang Powder	小儿珠黄散
TCMFx470	Zai Zao Pills	再造丸
TCMFx6833	Zhang Zhou Shen Qu	漳州神曲
TCMFx6482	Zhi Ke Ju Hong Pills	止咳橘红丸
TCMFx317	Zhi Ke Ju Hong Oral Liquid	止咳橘红口服液
TCMFx318	Zhi Ke Ju Hong Pills	止咳橘红丸
TCMF6709	Zi Bu Jian Shen Pills	滋补健身丸

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
TCMT101	PTPN1	Protein-tyrosine phosphatase 1B	Hydrolase	P18031
TCMT162	UGT1A1	UDP-glucuronosyltransferase 1-1	Transferase	P22309
TCMT265	GSK3B	Glycogen synthase kinase-3 beta	Kinase	P49841
TCMT276	SLCO2B1	Solute carrier organic anion transporter family member 2B1	Transporter	O94956
TCMT277	SLCO1B3	Solute carrier organic anion transporter family member 1B3	Transporter	Q9NPD5
TCMT278	SLCO1B1	Solute carrier organic anion transporter family member 1B1	Transporter	Q9Y6L6
TCMT599	UBE2N	Ubiquitin-conjugating enzyme E2 N	Transferase	P61088

Targeted Pathogenic Microbes by the Ingredient of Component

Target ID	Target Name

Ingredient Structrues

Ingredient ID: TCMC922
Formula: C10H16O

Common Name	Citral
IUPAC Name	(2E)-3,7-dimethylocta-2,6-dienal
Canonical SMILES	O=C/C=C(/CCC=C(C)C)C
Standard InCHI	InChI=1S/C10H16O/c1-9(2)5-4-6-10(3)7-8-11/h5,7-8H,4,6H2,1-3H3/b10-7+
Standard InCHIKey	WTEVQBCEXWBHNA-JXMROGBWSA-N
External Identifiers	ChEMBL [CHEMBL1080997]; PubChem [638011];
Reference of Component-Ingredient Pair	29968805

Occurrence of the ingredient across TCM components

Component ID	Latin Name	Pinyin Name	Chinese Name
TCMH1063	Curcuma longa	Jiang Huang	姜黄
TCMH924	Zanthoxylum bungeanum	Hua Jiao	花椒
TCMH2630	Citrus aurantium	Zhi Shi	枳实
TCMH382	Allium sativum	Da Suan	大蒜
TCMH2495	Artemisia capillaris	Yin Chen Hao Gan Jin Gao	茵陈蒿干浸膏
TCMH953	Aconitum vilmorinianum	Huang Cao Wu	黄草乌
TCMH2201	Securidaca inappendiculata	Wu Wei Teng	五味藤
TCMH1065	Cortex zingiberis	Jiang Pi	姜皮
TCMH1562	Arctium lappa	Niu Bang Zi	牛蒡子
TCMH317	Capsella bursa-pastoris	Ci Cai	荠菜
TCMH1791	Loranthus parasiticus	Sang Ji Sheng	桑寄生
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
TCMH226	Camellia sinensis	Cha Ye	茶叶
TCMH2462	Crataegus pinnatifida	Ye Shan Zha	野山楂
TCMH108	Perilla frutescens	Bai Su Zi	白苏子
TCMH925	Exocarpium citri grandis	Hua Ju Hong	化橘红
TCMH243	Pericarpium citri reticulatae	Chen Pi	陈皮
TCMH2322	Prunus armeniaca	Xing Ren	杏仁
TCMH818	Fructus carpesii	He Shi	鹤虱
TCMH619	Citrus medica var. sarcodactylis	Fo Shou	佛手
TCMH2206	Schisandra chinensis	Wu Wei Zi Liu Jin Gao	五味子流浸膏
TCMH2545	Houttuynia cordata	Yu Xing Cao	鱼腥草
TCMH176	Daucus carota var. sativa	Bian Luo Bo	卞萝卜
TCMH1903	Zingiber officinale	Sheng Jiang	生姜
TCMH840	Rhizoma zingiberis recens preparata	Hei Jiang	黑姜
TCMH2320	Magnolia liliflora	Xin Yi Ren	辛夷仁
TCMH1272	Forsythia suspensa	Lian Qiao	连翘
TCMH160	Piper cubeba	Bi Cheng Qie	毕澄茄
TCMH1219	Semen armeniacae amarum	Ku Xing Ren	苦杏仁
TCMH2271	Cymbopogon citratus	Xiang Mao	香茅
TCMH1184	Citrus reticulata	Ju Pi	橘皮
TCMH2180	Ficus carica	Wu Hua Guo	无花果
TCMH2282	Citrus medica	Xiang Yuan Pi	香橼皮
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
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
TCMH737	Crataegus pinnatifida	Guang Shan Zha	广山楂
TCMH1848	Crataegus pinnatifida	Shan Zha	山楂
TCMH1849	Crataegus pinnatifida	Shan Zha Chou Gao	山楂稠膏
TCMH1852	Crataegus pinnatifida	Shan Zha Qing Gao	山楂清膏
TCMH1853	Crataegus pinnatifida	Shan Zha Tan	山楂炭
TCMH2281	Citrus medica	Xiang Yuan	香橼
TCMH1734	Homo sapiens	Ren Zhong Bai	人中白
TCMH309	Curcuma longa	Chuan Yu Jin	川郁金
TCMH1178	Citrus reticulata	Ju He	橘核
TCMH12	Artemisia argyi	Ai Ye	艾叶
TCMH511	Litsea cubeba	Dou Chi Jiang	豆豉姜
TCMH1812	Litsea cubeba	Shan Cang Zi	山苍子
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
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
TCMH51	Camellia sinensis	Bai Cha	白茶

Ingredient ID: TCMC6744
Formula: C28H34O14

Common Name	poncirin
IUPAC Name	(2R)-7-[(2S,3R,4S,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)-3-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-2-yl]oxy-5-hydroxy-2-(4-methoxyphenyl)-2,3-dihydrochromen-4-one
Canonical SMILES	OC[C@H]1O[C@@H](Oc2cc3O[C@H](CC(=O)c3c(c2)O)c2ccc(cc2)OC)[C@@H]([C@H]([C@@H]1O)O)O[C@@H]1O[C@@H](C)[C@@H]([C@H]([C@H]1O)O)O
Standard InCHI	InChI=1S/C28H34O14/c1-11-21(32)23(34)25(36)27(38-11)42-26-24(35)22(33)19(10-29)41-28(26)39-14-7-15(30)20-16(31)9-17(40-18(20)8-14)12-3-5-13(37-2)6-4-12/h3-8,11,17,19,21-30,32-36H,9-10H2,1-2H3/t11-,17+,19+,21-,22+,23+,24-,25+,26+,27-,28+/m0/s1
Standard InCHIKey	NLAWPKPYBMEWIR-WJTRRMSRSA-N
External Identifiers	ChEMBL [N/A]; PubChem [45359875];
Reference of Component-Ingredient Pair	N/A

Occurrence of the ingredient across TCM components

Component ID	Latin Name	Pinyin Name	Chinese Name
TCMH925	Exocarpium citri grandis	Hua Ju Hong	化橘红

Ingredient ID: TCMC6657
Formula: C16H14O6

Common Name	neohesperidin_qt
IUPAC Name	(2S)-5,7-dihydroxy-2-(3-hydroxy-5-methoxyphenyl)-2,3-dihydrochromen-4-one
Canonical SMILES	COc1cc(O)cc(c1)[C@@H]1CC(=O)c2c(O1)cc(cc2O)O
Standard InCHI	InChI=1S/C16H14O6/c1-21-11-3-8(2-9(17)4-11)14-7-13(20)16-12(19)5-10(18)6-15(16)22-14/h2-6,14,17-19H,7H2,1H3/t14-/m0/s1
Standard InCHIKey	YNYGAMJOLICYES-AWEZNQCLSA-N
External Identifiers	ChEMBL [N/A]; PubChem [42607889];
Reference of Component-Ingredient Pair	N/A

Occurrence of the ingredient across TCM components

Component ID	Latin Name	Pinyin Name	Chinese Name
TCMH925	Exocarpium citri grandis	Hua Ju Hong	化橘红

Ingredient ID: TCMC6603
Formula: C28H34O15

Common Name	(2S)-7-[(2S,3R,4S,5S,6R)-4,5-dihydroxy-6-methylol-3-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyl-tetrahydropyran-2-yl]oxy-tetrahydropyran-2-yl]oxy-5-hydroxy-2-(3-hydroxy-5-methoxy-phenyl)chroman-4-one
IUPAC Name	(2S)-7-[(2S,3R,4S,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)-3-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-2-yl]oxy-5-hydroxy-2-(3-hydroxy-5-methoxyphenyl)-2,3-dihydrochromen-4-one
Canonical SMILES	OC[C@H]1O[C@@H](Oc2cc(O)c3c(c2)O[C@@H](CC3=O)c2cc(O)cc(c2)OC)[C@@H]([C@H]([C@@H]1O)O)O[C@@H]1O[C@@H](C)[C@@H]([C@H]([C@H]1O)O)O
Standard InCHI	InChI=1S/C28H34O15/c1-10-21(33)23(35)25(37)27(39-10)43-26-24(36)22(34)19(9-29)42-28(26)40-14-6-15(31)20-16(32)8-17(41-18(20)7-14)11-3-12(30)5-13(4-11)38-2/h3-7,10,17,19,21-31,33-37H,8-9H2,1-2H3/t10-,17-,19+,21-,22+,23+,24-,25+,26+,27-,28+/m0/s1
Standard InCHIKey	TWAZWVPPDIUVOD-UZRWAPQLSA-N
External Identifiers	ChEMBL [N/A]; PubChem [24721685];
Reference of Component-Ingredient Pair	N/A

Occurrence of the ingredient across TCM components

Component ID	Latin Name	Pinyin Name	Chinese Name
TCMH925	Exocarpium citri grandis	Hua Ju Hong	化橘红
TCMH1695	Pericarpium citri reticulatae viride	Qing Pi	青皮

Ingredient ID: TCMC5073
Formula: C15H24

Common Name	(Z)-caryophyllene
IUPAC Name	(1S,4E,9S)-4,11,11-trimethyl-8-methylidenebicyclo[7.2.0]undec-4-ene
Canonical SMILES	C/C/1=CCCC(=C)[C@@H]2[C@H](CC1)C(C2)(C)C
Standard InCHI	InChI=1S/C15H24/c1-11-6-5-7-12(2)13-10-15(3,4)14(13)9-8-11/h6,13-14H,2,5,7-10H2,1,3-4H3/b11-6+/t13-,14+/m1/s1
Standard InCHIKey	NPNUFJAVOOONJE-BLOBHPOZSA-N
External Identifiers	ChEMBL [N/A]; PubChem [6429301];
Reference of Component-Ingredient Pair	25970043

Occurrence of the ingredient across TCM components

Component ID	Latin Name	Pinyin Name	Chinese Name
TCMH925	Exocarpium citri grandis	Hua Ju Hong	化橘红
TCMH728	Pogostemon cablin	Guang Huo Xiang	广藿香

Ingredient ID: TCMC4414
Formula: C19H34O2

Common Name	METHYL LINOLEATE
IUPAC Name	methyl (9Z,12Z)-octadeca-9,12-dienoate
Canonical SMILES	CCCCC/C=CC/C=CCCCCCCCC(=O)OC
Standard InCHI	InChI=1S/C19H34O2/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19(20)21-2/h7-8,10-11H,3-6,9,12-18H2,1-2H3/b8-7-,11-10-
Standard InCHIKey	WTTJVINHCBCLGX-NQLNTKRDSA-N
External Identifiers	ChEMBL [CHEMBL3183866]; PubChem [5284421];
Reference of Component-Ingredient Pair	22925758

Occurrence of the ingredient across TCM components

Component ID	Latin Name	Pinyin Name	Chinese Name
TCMH925	Exocarpium citri grandis	Hua Ju Hong	化橘红
TCMH1219	Semen armeniacae amarum	Ku Xing Ren	苦杏仁

Ingredient ID: TCMC4383
Formula: C27H30O14

Common Name	Apigenin-7-O-Neohesperidoside
IUPAC Name	7-[(2S,3R,4S,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)-3-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-2-yl]oxy-5-hydroxy-2-(4-hydroxyphenyl)chromen-4-one
Canonical SMILES	OC[C@H]1O[C@@H](Oc2cc(O)c3c(c2)oc(cc3=O)c2ccc(cc2)O)[C@@H]([C@H]([C@@H]1O)O)O[C@@H]1O[C@@H](C)[C@@H]([C@H]([C@H]1O)O)O
Standard InCHI	InChI=1S/C27H30O14/c1-10-20(32)22(34)24(36)26(37-10)41-25-23(35)21(33)18(9-28)40-27(25)38-13-6-14(30)19-15(31)8-16(39-17(19)7-13)11-2-4-12(29)5-3-11/h2-8,10,18,20-30,32-36H,9H2,1H3/t10-,18+,20-,21+,22+,23-,24+,25+,26-,27+/m0/s1
Standard InCHIKey	RPMNUQRUHXIGHK-PYXJVEIZSA-N
External Identifiers	ChEMBL [CHEMBL395990]; PubChem [5282150];
Reference of Component-Ingredient Pair	28334636

Occurrence of the ingredient across TCM components

Component ID	Latin Name	Pinyin Name	Chinese Name
TCMH523	Lamiophlomis rotata	Du Yi Wei	独一味
TCMH1376	Trachelospermum jasminoides	Luo Shi Teng	络石藤
TCMH925	Exocarpium citri grandis	Hua Ju Hong	化橘红
TCMH2630	Citrus aurantium	Zhi Shi	枳实

Ingredient ID: TCMC4161
Formula: C16H14O5

Common Name	didymin
IUPAC Name	(2R)-5,7-dihydroxy-2-(4-methoxyphenyl)-2,3-dihydrochromen-4-one
Canonical SMILES	COc1ccc(cc1)[C@H]1CC(=O)c2c(O1)cc(cc2O)O
Standard InCHI	InChI=1S/C16H14O5/c1-20-11-4-2-9(3-5-11)14-8-13(19)16-12(18)6-10(17)7-15(16)21-14/h2-7,14,17-18H,8H2,1H3/t14-/m1/s1
Standard InCHIKey	HMUJXQRRKBLVOO-CQSZACIVSA-N
External Identifiers	ChEMBL [N/A]; PubChem [1149877];
Reference of Component-Ingredient Pair	N/A

Occurrence of the ingredient across TCM components

Component ID	Latin Name	Pinyin Name	Chinese Name
TCMH925	Exocarpium citri grandis	Hua Ju Hong	化橘红

Ingredient ID: TCMC4133
Formula: C10H16O

Common Name	Citral,Neral
IUPAC Name	(2Z)-3,7-dimethylocta-2,6-dienal
Canonical SMILES	O=C/C=C(CCC=C(C)C)/C
Standard InCHI	InChI=1S/C10H16O/c1-9(2)5-4-6-10(3)7-8-11/h5,7-8H,4,6H2,1-3H3/b10-7-
Standard InCHIKey	WTEVQBCEXWBHNA-YFHOEESVSA-N
External Identifiers	ChEMBL [N/A]; PubChem [643779];
Reference of Component-Ingredient Pair	22945026

Occurrence of the ingredient across TCM components

Component ID	Latin Name	Pinyin Name	Chinese Name
TCMH512	Fructus amomi rotundus	Dou Kou	豆蔻
TCMH243	Pericarpium citri reticulatae	Chen Pi	陈皮
TCMH130	Pinellia ternata	Ban Xia	半夏
TCMH216	Fructus tsaoko	Cao Guo	草果
TCMH1903	Zingiber officinale	Sheng Jiang	生姜
TCMH925	Exocarpium citri grandis	Hua Ju Hong	化橘红
TCMH1695	Pericarpium citri reticulatae viride	Qing Pi	青皮

Ingredient ID: TCMC3959
Formula: C7H14NO2

Common Name	stachydrine
IUPAC Name	(2S)-1,1-dimethylpyrrolidin-1-ium-2-carboxylic acid
Canonical SMILES	[O-]C(=O)[C@@H]1CCC[N+]1(C)C
Standard InCHI	InChI=1S/C7H13NO2/c1-8(2)5-3-4-6(8)7(9)10/h6H,3-5H2,1-2H3/t6-/m0/s1
Standard InCHIKey	CMUNUTVVOOHQPW-LURJTMIESA-N
External Identifiers	ChEMBL [N/A]; PubChem [448301];
Reference of Component-Ingredient Pair	21838291

Occurrence of the ingredient across TCM components

Component ID	Latin Name	Pinyin Name	Chinese Name
TCMH925	Exocarpium citri grandis	Hua Ju Hong	化橘红

Ingredient ID: TCMC3805
Formula: C10H16

Common Name	Dipentene,L-Limonene
IUPAC Name	(4S)-1-methyl-4-prop-1-en-2-ylcyclohexene
Canonical SMILES	CC1=CC[C@H](CC1)C(=C)C
Standard InCHI	InChI=1S/C10H16/c1-8(2)10-6-4-9(3)5-7-10/h4,10H,1,5-7H2,2-3H3/t10-/m1/s1
Standard InCHIKey	XMGQYMWWDOXHJM-SNVBAGLBSA-N
External Identifiers	ChEMBL [CHEMBL236688]; PubChem [439250];
Reference of Component-Ingredient Pair	20568624

Occurrence of the ingredient across TCM components

Component ID	Latin Name	Pinyin Name	Chinese Name
TCMH1508	Commiphora myrrha	Mo Yao	没药
TCMH1397	Aristolochia debilis	Ma Dou Ling	马兜铃
TCMH1753	Boswellia carterii	Ru Xiang	乳香
TCMH1741	Myristica fragrans	Rou Dou Kou	肉豆蔻
TCMH2722	Perilla frutescens var. arguta	Zi Su Ye	紫苏叶
TCMH925	Exocarpium citri grandis	Hua Ju Hong	化橘红
TCMH728	Pogostemon cablin	Guang Huo Xiang	广藿香
TCMH1695	Pericarpium citri reticulatae viride	Qing Pi	青皮

Ingredient ID: TCMC3324
Formula: C15H24

Common Name	Γ-Cadinene
IUPAC Name	(1R,4aS,8aS)-7-methyl-4-methylidene-1-propan-2-yl-2,3,4a,5,6,8a-hexahydro-1H-naphthalene
Canonical SMILES	CC1=C[C@H]2[C@H](CC1)C(=C)CC[C@@H]2C(C)C
Standard InCHI	InChI=1S/C15H24/c1-10(2)13-8-6-12(4)14-7-5-11(3)9-15(13)14/h9-10,13-15H,4-8H2,1-3H3/t13-,14-,15-/m1/s1
Standard InCHIKey	WRHGORWNJGOVQY-RBSFLKMASA-N
External Identifiers	ChEMBL [N/A]; PubChem [92313];
Reference of Component-Ingredient Pair	22239952

Occurrence of the ingredient across TCM components

Component ID	Latin Name	Pinyin Name	Chinese Name
TCMH12	Artemisia argyi	Ai Ye	艾叶
TCMH33	Illicium verum	Ba Jiao Hui Xiang	八角茴香
TCMH1803	Amomum villosum	Sha Ren	砂仁
TCMH925	Exocarpium citri grandis	Hua Ju Hong	化橘红
TCMH728	Pogostemon cablin	Guang Huo Xiang	广藿香

Ingredient ID: TCMC3281
Formula: C18H16O5

Common Name	5,7,4'-Trimethoxyflavone
IUPAC Name	5,7-dimethoxy-2-(4-methoxyphenyl)chromen-4-one
Canonical SMILES	COc1ccc(cc1)c1cc(=O)c2c(o1)cc(cc2OC)OC
Standard InCHI	InChI=1S/C18H16O5/c1-20-12-6-4-11(5-7-12)15-10-14(19)18-16(22-3)8-13(21-2)9-17(18)23-15/h4-10H,1-3H3
Standard InCHIKey	ZXJJBDHPUHUUHD-UHFFFAOYSA-N
External Identifiers	ChEMBL [CHEMBL1087720]; PubChem [79730];
Reference of Component-Ingredient Pair	20221945

Occurrence of the ingredient across TCM components

Component ID	Latin Name	Pinyin Name	Chinese Name
TCMH925	Exocarpium citri grandis	Hua Ju Hong	化橘红
TCMH2630	Citrus aurantium	Zhi Shi	枳实

Ingredient ID: TCMC3088
Formula: C15H30O2

Common Name	Pentadecanoic Acid
IUPAC Name	pentadecanoic acid
Canonical SMILES	CCCCCCCCCCCCCCC(=O)[O-]
Standard InCHI	InChI=1S/C15H30O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15(16)17/h2-14H2,1H3,(H,16,17)/p-1
Standard InCHIKey	WQEPLUUGTLDZJY-UHFFFAOYSA-M
External Identifiers	ChEMBL [CHEMBL460025]; PubChem [13849];
Reference of Component-Ingredient Pair	29968805

Occurrence of the ingredient across TCM components

Component ID	Latin Name	Pinyin Name	Chinese Name
TCMH426	Codonopsis pilosula	Dang Shen	党参
TCMH699	Eriocaulon buergerianum	Gu Jing Cao	谷精草
TCMH877	Radix ginseng rubra	Hong Shen	红参
TCMH1343	Aloe vera	Lu Hui	芦荟
TCMH797	Sargassum	Hai Zao	海藻
TCMH1397	Aristolochia debilis	Ma Dou Ling	马兜铃
TCMH925	Exocarpium citri grandis	Hua Ju Hong	化橘红
TCMH2295	fructus foeniculi	Xiao Hui Xiang	小茴香

Ingredient ID: TCMC3068
Formula: C29H60

Common Name	Nonacosane
IUPAC Name	nonacosane
Canonical SMILES	CCCCCCCCCCCCCCCCCCCCCCCCCCCCC
Standard InCHI	InChI=1S/C29H60/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h3-29H2,1-2H3
Standard InCHIKey	IGGUPRCHHJZPBS-UHFFFAOYSA-N
External Identifiers	ChEMBL [CHEMBL428955]; PubChem [12409];
Reference of Component-Ingredient Pair	22292044

Occurrence of the ingredient across TCM components

Component ID	Latin Name	Pinyin Name	Chinese Name
TCMH389	Gleditsiae sinensis fructus	Da Zao Jiao	大皂角
TCMH524	Eucommia ulmoides	Du Zhong	杜仲
TCMH865	Carthamus tinctorius	Hong Hua	红花
TCMH1368	Apocyni veneti folium	Luo Bu Ma Ye	罗布麻叶
TCMH877	Radix ginseng rubra	Hong Shen	红参
TCMH1813	Asarum sagittarioides	Shan Ci Gu	山慈菇
TCMH2128	Rhizoma bolbostemmae	Tu Bei Mu	土贝母
TCMH1721	Panax ginseng	Ren Shen	人参
TCMH2641	Gardenia jasminoides	Zhi Zi	栀子
TCMH2252	Agrimonia pilosa var. japonica	Xian He Cao	仙鹤草
TCMH2693	Fructus gleditsiae abnormalis	Zhu Ya Zao	猪牙皂
TCMH925	Exocarpium citri grandis	Hua Ju Hong	化橘红
TCMH1219	Semen armeniacae amarum	Ku Xing Ren	苦杏仁

Ingredient ID: TCMC3014
Formula: C15H24

Common Name	Β-Cadinene
IUPAC Name	(1S,4aR,8aS)-4,7-dimethyl-1-propan-2-yl-1,2,4a,5,8,8a-hexahydronaphthalene
Canonical SMILES	CC1=CC[C@@H]2[C@@H](C1)[C@@H](CC=C2C)C(C)C
Standard InCHI	InChI=1S/C15H24/c1-10(2)13-8-6-12(4)14-7-5-11(3)9-15(13)14/h5-6,10,13-15H,7-9H2,1-4H3/t13-,14-,15-/m0/s1
Standard InCHIKey	USDOQCCMRDNVAH-KKUMJFAQSA-N
External Identifiers	ChEMBL [CHEMBL3120653]; PubChem [10657];
Reference of Component-Ingredient Pair	28883829

Occurrence of the ingredient across TCM components

Component ID	Latin Name	Pinyin Name	Chinese Name
TCMH12	Artemisia argyi	Ai Ye	艾叶
TCMH672	Alpinia officinarum	Gao Liang Jiang	高良姜
TCMH925	Exocarpium citri grandis	Hua Ju Hong	化橘红

Ingredient ID: TCMC2994
Formula: C12H16O3

Common Name	Elemicin
IUPAC Name	1,2,3-trimethoxy-5-prop-2-enylbenzene
Canonical SMILES	C=CCc1cc(OC)c(c(c1)OC)OC
Standard InCHI	InChI=1S/C12H16O3/c1-5-6-9-7-10(13-2)12(15-4)11(8-9)14-3/h5,7-8H,1,6H2,2-4H3
Standard InCHIKey	BPLQKQKXWHCZSS-UHFFFAOYSA-N
External Identifiers	ChEMBL [CHEMBL458690]; PubChem [10248];
Reference of Component-Ingredient Pair	18951959

Occurrence of the ingredient across TCM components

Component ID	Latin Name	Pinyin Name	Chinese Name
TCMH512	Fructus amomi rotundus	Dou Kou	豆蔻
TCMH776	Piper kadsura	Hai Feng Teng	海风藤
TCMH1920	Acorus tatarinowii	Shi Chang Pu	石菖蒲
TCMH1862	Cornus officinalis	Shan Zhu Yu	山茱萸
TCMH1741	Myristica fragrans	Rou Dou Kou	肉豆蔻
TCMH2239	Asarum sieboldii	Xi Xin	细辛
TCMH2722	Perilla frutescens var. arguta	Zi Su Ye	紫苏叶
TCMH925	Exocarpium citri grandis	Hua Ju Hong	化橘红

Ingredient ID: TCMC2964
Formula: C17H34O2

Common Name	Methyl Hexadecanate,Methyl Palmitate
IUPAC Name	methyl hexadecanoate
Canonical SMILES	CCCCCCCCCCCCCCCC(=O)OC
Standard InCHI	InChI=1S/C17H34O2/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17(18)19-2/h3-16H2,1-2H3
Standard InCHIKey	FLIACVVOZYBSBS-UHFFFAOYSA-N
External Identifiers	ChEMBL [CHEMBL335125]; PubChem [8181];
Reference of Component-Ingredient Pair	22978235

Occurrence of the ingredient across TCM components

Component ID	Latin Name	Pinyin Name	Chinese Name
TCMH305	Cnidium officinale	Chuan Xiong	川芎
TCMH426	Codonopsis pilosula	Dang Shen	党参
TCMH1768	Panax notoginseng	San Qi	三七
TCMH1680	Sinomenium acutum	Qing Feng Teng	青风藤
TCMH925	Exocarpium citri grandis	Hua Ju Hong	化橘红
TCMH1219	Semen armeniacae amarum	Ku Xing Ren	苦杏仁

Ingredient ID: TCMC2959
Formula: C9H18O2

Common Name	Nonanoic Acid
IUPAC Name	nonanoic acid
Canonical SMILES	CCCCCCCCC(=O)[O-]
Standard InCHI	InChI=1S/C9H18O2/c1-2-3-4-5-6-7-8-9(10)11/h2-8H2,1H3,(H,10,11)/p-1
Standard InCHIKey	FBUKVWPVBMHYJY-UHFFFAOYSA-M
External Identifiers	ChEMBL [CHEMBL108436]; PubChem [8158];
Reference of Component-Ingredient Pair	29968805

Occurrence of the ingredient across TCM components

Component ID	Latin Name	Pinyin Name	Chinese Name
TCMH228	Bupleurum chinense	Chai Hu	柴胡
TCMH426	Codonopsis pilosula	Dang Shen	党参
TCMH1768	Panax notoginseng	San Qi	三七
TCMH925	Exocarpium citri grandis	Hua Ju Hong	化橘红
TCMH2241	Panax quinquefolium	Xi Yang Shen	西洋参

Ingredient ID: TCMC1996
Formula: C19H24O5

Common Name	R-(+)-Marmin
IUPAC Name	7-[(E,6R)-6,7-dihydroxy-3,7-dimethyloct-2-enoxy]chromen-2-one
Canonical SMILES	C/C(=CCOc1ccc2c(c1)oc(=O)cc2)/CC[C@H](C(O)(C)C)O
Standard InCHI	InChI=1S/C19H24O5/c1-13(4-8-17(20)19(2,3)22)10-11-23-15-7-5-14-6-9-18(21)24-16(14)12-15/h5-7,9-10,12,17,20,22H,4,8,11H2,1-3H3/b13-10+/t17-/m1/s1
Standard InCHIKey	QYYKWTUUCOTGNS-JIIJFUIFSA-N
External Identifiers	ChEMBL [CHEMBL1078441]; PubChem [6450230];
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
TCMH925	Exocarpium citri grandis	Hua Ju Hong	化橘红
TCMH2282	Citrus medica	Xiang Yuan Pi	香橼皮
TCMH2281	Citrus medica	Xiang Yuan	香橼
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: TCMC1735
Formula: C27H32O14

Common Name	Naringin
IUPAC Name	(2S)-7-[(2S,3R,4S,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)-3-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-2-yl]oxy-5-hydroxy-2-(4-hydroxyphenyl)-2,3-dihydrochromen-4-one
Canonical SMILES	OC[C@H]1O[C@@H](Oc2cc(O)c3c(c2)O[C@@H](CC3=O)c2ccc(cc2)O)[C@@H]([C@H]([C@@H]1O)O)O[C@@H]1O[C@@H](C)[C@@H]([C@H]([C@H]1O)O)O
Standard InCHI	InChI=1S/C27H32O14/c1-10-20(32)22(34)24(36)26(37-10)41-25-23(35)21(33)18(9-28)40-27(25)38-13-6-14(30)19-15(31)8-16(39-17(19)7-13)11-2-4-12(29)5-3-11/h2-7,10,16,18,20-30,32-36H,8-9H2,1H3/t10-,16-,18+,20-,21+,22+,23-,24+,25+,26-,27+/m0/s1
Standard InCHIKey	DFPMSGMNTNDNHN-ZPHOTFPESA-N
External Identifiers	ChEMBL [CHEMBL451532]; PubChem [442428];
Reference of Component-Ingredient Pair	22260547

Occurrence of the ingredient across TCM components

Component ID	Latin Name	Pinyin Name	Chinese Name
TCMH945	Sophora japonica	Huai Zhi	槐枝
TCMH2630	Citrus aurantium	Zhi Shi	枳实
TCMH1255	Tripterygium wilfordii	Lei Gong Teng	雷公藤
TCMH1657	Radix moghaniae philippinensis	Qian Jin Ba	千斤拔
TCMH2201	Securidaca inappendiculata	Wu Wei Teng	五味藤
TCMH1180	Exocarpium citri rubrum	Ju Hong Pi	橘红皮
TCMH2303	Pericarpium citri reticulatae viride	Xiao Qing Pi	小青皮
TCMH1390	Poncirus trifoliata	Lv Yi Zhi Shi	绿衣枳实
TCMH985	Astragalus membranaceus	Huang Qi Ti Qu Ye	黄芪提取液
TCMH700	Drynaria fortunei	Gu Sui Bu	骨碎补
TCMH1950	Herba selaginellae doederleinii	Shi Shang Bai	石上柏
TCMH925	Exocarpium citri grandis	Hua Ju Hong	化橘红
TCMH1299	Ganoderma lucidum	Ling Zhi(1)	灵芝
TCMH243	Pericarpium citri reticulatae	Chen Pi	陈皮
TCMH1097	Fortunella japonica	Jin Gan	金柑
TCMH366	Rheum officinale	Da Huang Liu Jin Gao	大黄流浸膏
TCMH2192	Prunus mume	Wu Mei Rou	乌梅肉
TCMH1798	Morus alba	Sang Zhi	桑枝
TCMH1396	Portulaca oleracea	Ma Chi Xian	马齿苋
TCMH1104	Fortunella margarita	Jin Ju	金橘
TCMH1179	Citri exocarpium rubrum	Ju Hong	橘红
TCMH132	Scutellaria barbata	Ban Zhi Lian	半枝莲
TCMH2271	Cymbopogon citratus	Xiang Mao	香茅
TCMH1184	Citrus reticulata	Ju Pi	橘皮
TCMH2282	Citrus medica	Xiang Yuan Pi	香橼皮
TCMH1965	Rheum palmatum	Shu Da Huang	熟大黄
TCMH1437	Rhododendron dauricum	Man Shan Hong	满山红
TCMH2281	Citrus medica	Xiang Yuan	香橼
TCMH938	Sophora japonica	Huai Hua	槐花
TCMH940	Sophora japonica	Huai Jiao	槐角
TCMH941	Sophora japonica	Huai Mi	槐米
TCMH363	Rheum officinale	Da Huang	大黄
TCMH365	Rheum officinale	Da Huang Jin Gao	大黄浸膏
TCMH981	Astragalus membranaceus	Huang Qi	黄芪
TCMH983	Astragalus membranaceus	Huang Qi Gan Jin Gao	黄芪干浸膏
TCMH984	Astragalus membranaceus	Huang Qi Jin Gao	黄芪浸膏
TCMH1296	Ganoderma lucidum	Ling Zhi Jin Gao	灵芝浸膏
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
TCMH1792	Morus alba	Sang Pi	桑皮
TCMH1797	Morus alba	Sang Ye	桑叶
TCMH93	Prunus mume	Bai Mei Hua	白梅花
TCMH2191	Prunus mume	Wu Mei	乌梅
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
TCMC922	C10H16O	Citral	152.12	2.4893	2.45	2.701	1	0	17.07	7	0	11	0
TCMC1735	C27H32O14	Naringin	580.18	-4.8082	2.89	-1.045	10	8	225.06	15	5	41	1
TCMC1996	C19H24O5	R-(+)-Marmin	332.16	0.4392	3	2.725	3	2	75.99	12	2	24	0
TCMC2959	C9H18O2	Nonanoic Acid	157.1228548	-2.5595	2.23	3.106	2	0	40.13	7	0	11	0
TCMC2964	C17H34O2	Methyl Hexadecanate,Methyl Palmitate	270.2558803	-3.6467	3.11	7.891	2	0	26.3	15	0	19	2
TCMC2994	C12H16O3	Elemicin	208.1099444	0.8733	2.45	2.559	0	0	27.69	5	1	15	0
TCMC3014	C15H24	Β-Cadinene	204.1878008	2.2008	3.11	5.901	0	0	0	1	2	15	1
TCMC3068	C29H60	Nonacosane	408.4695019	-7.6734	4.65	16.841	0	0	0	26	0	29	2
TCMC3088	C15H30O2	Pentadecanoic Acid	241.2167552	-4.2875	2.89	6.52	2	0	40.13	13	0	17	2
TCMC3281	C18H16O5	5,7,4'-Trimethoxyflavone	312.0997736	-0.292	2.89	2.683	1	0	44.76	4	3	23	0
TCMC3324	C15H24	Γ-Cadinene	204.1878008	2.2603	3.11	5.942	0	0	0	1	2	15	1
TCMC3805	C10H16	Dipentene,L-Limonene	136.1252005	2.1424	2.56	3.729	0	0	0	1	1	10	0
TCMC3959	C7H14NO2	stachydrine	143.0946287	-2.8784	1.9	-0.618	2	0	40.13	1	1	10	0
TCMC4133	C10H16O	Citral,Neral	152.1201151	2.4893	2.45	2.701	1	0	17.07	4	0	11	0
TCMC4161	C16H14O5	didymin	286.0841235	-1.4059	2.67	1.416	1	2	75.99	2	3	21	0
TCMC4383	C27H30O14	Apigenin-7-O-Neohesperidoside	578.1635556	-4.6859	2.89	-0.792	13	8	215.83	6	5	41	2
TCMC4414	C19H34O2	METHYL LINOLEATE	294.2558803	-0.6975	3.33	8.186	2	0	26.3	15	0	21	2
TCMC5073	C15H24	(Z)-caryophyllene	204.1878008	3.2289	3.11	6.044	0	0	0	0	2	15	1
TCMC6603	C28H34O15	(2S)-7-[(2S,3R,4S,5S,6R)-4,5-dihydroxy-6-methylol-3-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyl-tetrahydropyran-2-yl]oxy-tetrahydropyran-2-yl]oxy-5-hydroxy-2-(3-hydroxy-5-methoxy-phenyl)chroman-4-one	610.1897704	-4.86	2.89	-1.489	10	8	234.29	7	5	43	1
TCMC6657	C16H14O6	neohesperidin_qt	302.0790382	-1.8662	2.56	0.453	1	3	96.22	2	3	22	0
TCMC6744	C28H34O14	poncirin	594.1948558	-4.3997	3	-0.526	10	7	214.06	7	5	42	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: Exocarpium citri grandis 化橘红

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: TCMC922

Occurrence of the ingredient across TCM components

Ingredient ID: TCMC6744

Occurrence of the ingredient across TCM components

Ingredient ID: TCMC6657

Occurrence of the ingredient across TCM components

Ingredient ID: TCMC6603

Occurrence of the ingredient across TCM components

Ingredient ID: TCMC5073

Occurrence of the ingredient across TCM components

Ingredient ID: TCMC4414

Occurrence of the ingredient across TCM components

Ingredient ID: TCMC4383

Occurrence of the ingredient across TCM components

Ingredient ID: TCMC4161

Occurrence of the ingredient across TCM components

Ingredient ID: TCMC4133

Occurrence of the ingredient across TCM components

Ingredient ID: TCMC3959

Occurrence of the ingredient across TCM components

Ingredient ID: TCMC3805

Occurrence of the ingredient across TCM components

Ingredient ID: TCMC3324

Occurrence of the ingredient across TCM components

Ingredient ID: TCMC3281

Occurrence of the ingredient across TCM components

Ingredient ID: TCMC3088

Occurrence of the ingredient across TCM components

Ingredient ID: TCMC3068

Occurrence of the ingredient across TCM components

Ingredient ID: TCMC3014

Occurrence of the ingredient across TCM components

Ingredient ID: TCMC2994

Occurrence of the ingredient across TCM components

Ingredient ID: TCMC2964

Occurrence of the ingredient across TCM components

Ingredient ID: TCMC2959

Occurrence of the ingredient across TCM components

Ingredient ID: TCMC1996

Occurrence of the ingredient across TCM components

Ingredient ID: TCMC1735

Occurrence of the ingredient across TCM components

Properties

Download Data