TCM-ID Component

Description of the Component

Component ID	TCMH2216
Latin Name	Evodia rutaecarpa
English Name	Medicinal evodia
Chinese Pinyin Name	Wu Zhu Yu
中文名	吴茱萸
TCM Properties	Pungent, bitter, hot
TCM Meridians	Liver, spleen,stomach
Therapeutic Class English	For warming interior
Therapeutic Class Chinese	温里
Functions	dispel cold and stop pain, pacify the liver and direct rebellious qi downward, stop vomiting
Toxicity	slightly toxic
Geo-authentic habitats (道地产区)	Hunan Province
Reference	Chinese Pharmacopoeia (2015)
Barcode ID
Barcode Source

TCM Prescriptions with the Component

Prescription ID	Prescription English Name	Prescription Chinese Name
TCMF2100	Aifu Nuangong Pills	艾附暖宫丸
TCMF1333	Aifu Nuangong Pills	艾附暖宫丸
TCMF734	Bi Ling Wei Tong Granules	荜铃胃痛颗粒
TCMFx564	Chang Kang Tablet	肠康片
TCMFx3067	Chang Kang Tablets	肠康片
TCMF1892	Cock-Crowing Powder	鸡鸣散
TCMF353	Dan Gui Xiang Granules	丹桂香颗粒
TCMF2205	Decoction of Excrementum Bombycis, Bombyx Droppings Decoction	蚕矢汤
TCMF147	Diao Jing Huo Xue Capsule	调经活血胶囊
TCMFx172	E Zhang Feng Yao Shui	鹅掌风药水
TCMFx6908	Er Xie Kang Tie Mo	儿泻康贴膜
TCMF3087	Er Yi Pills	二益丸
TCMF1678	Evodia Decoction	吴茱萸汤
TCMF2651	Evodia Decoction	吴茱萸汤
TCMFx3308	Feng Qie Ping Chuan Ointment	风茄平喘膏
TCMF1816	Four Deity Pills	四神丸
TCMF3756	Fu Bao Jin Pills	妇宝金丸
TCMFx3585	Fu Fang Huang Lian Su Tablets	复方黄连素片
TCMFx3048	Fu Fang Tian Qi Wei Tong Capsules	复方田七胃痛胶囊
TCMFx3056	Fu Fang Tian Qi Wei Tong Tablets	复方田七胃痛片
TCMF3371	Fu Fang Zhi Jin Gan Infusion	复方制金柑冲剂
TCMF3117	Fu Gui Feng Shi Ointment	附桂风湿膏
TCMF3502	Gan Lu Ointment	甘露膏
TCMFx4786	Hu Xin Capsules	护心胶囊
TCMFx365	Hua Zheng Hui Sheng Tablet	化症回生片
TCMFx1251	Huatuo Zaizao Pills	华佗再造丸
TCMFx1703	Huatuo Zaizao Pills	华佗再造丸
TCMF2365	Interior Benefiting Stamoch Decoction	益中活血汤
TCMF7315	Ji Ming Powder	鸡鸣散
TCMFx4761	Jia Wei Lan Ji Pills	加味烂积丸
TCMF518	Jia Wei Xiang Lian Pills	加味香连丸
TCMF4834	Jia Wei Xiang Lian Pills	加味香连丸
TCMF4866	Jia Wei Zuo Jin Pills	加味左金丸
TCMF516	Jia Wei Zuo Jin Pills	加味左金丸
TCMFx4716	Ju He Shan Qi Pills	橘核疝气丸
TCMFx4796	Jun Li Ping Tablets	菌痢平片
TCMF2423	Meridian Warming Decoction	温经汤
TCMF4472	Min Dong Jian Qu	闽东建曲
TCMF4620	Mu Xiang Li Qi Tablets	木香理气片
TCMFx4794	Nao Sai Tong Pills	脑塞通丸
TCMFx4378	Nv Bao Capsules	女宝胶囊
TCMF1272	Pill of Four Miraculous Drugs; Four Deity Pill	四神丸
TCMF5608	Rou Kou Si Shen Pills	肉蔻四神丸
TCMF5193	San Yu Shen Qu	三余神曲
TCMFx5604	Shan Qi Pills	疝气丸
TCMFx5753	Shang Shi Zhen Tong Ointment	伤湿镇痛膏
TCMFx5047	She Yao Pills	蛇咬丸
TCMF3212	Shen Gui Tiao Jing Pills	参桂调经丸
TCMFx3597	Shen Rong Lu Tai Ointment	参茸鹿胎膏
TCMF5909	Shi Er Wen Jing Pills	十二温经丸
TCMFx5797	Si Fang Wei Capsules	四方胃胶囊
TCMFx449	Si Fang Wei Tablet	四方胃片
TCMFx5804	Si Fang Wei Tablets	四方胃片
TCMF447	Si Shen Tablet	四神片
TCMF5931	Si Shen Tablets	四神片
TCMF2407	Stomach Pain Recipe	胃脘痛方
TCMFx2200	Stomach Pain Tested Recipe	胃炎验方
TCMF5628	Tiao Jing Huo Xue Tablets	调经活血片
TCMF967	Tiao Jing Huo Xue Tablet	调经活血片
TCMFx963	Tiao Jing Pills	调经丸
TCMFx5163	Tou Gu Zhen Feng Pills	透骨镇风丸
TCMF2652	Warm the Menses Decoction	温经汤
TCMFx5572	Wei Bing Pills	胃病丸
TCMF7062	Wei Li Kang Granules	胃力康颗粒
TCMFx801	Wei Li Kang Tablet	胃立康片
TCMFx5720	Wei Li Kang Tablets	胃立康片
TCMF7402	Wen Jing Decoction	温经汤
TCMF5924	Wen Jing Pills	温经丸
TCMF5932	Wen Jing Yang Xue Recipe	温经养血合剂
TCMFx430	Wu Ji Pills	戊己丸
TCMFx5477	Wu Jia Pills	五瘕丸
TCMFx5246	Wu Jin Pills	乌金丸
TCMFx5239	Wu Jin Tablets	乌金片
TCMFx5561	Wu Wei Xiang Lian Pills	五味香连丸
TCMF2794	Wu Zhu Yu Decoction	吴茱萸汤
TCMF7303	Wu Zhu Yu Decoction	吴茱萸汤
TCMFx6776	Xiao Er Jian Pi Tie Ointment	小儿健脾贴膏
TCMF6172	Xiao Er Nuan Qi Ointment	小儿暖脐膏
TCMF6688	Xie Li Bao Tong Pills	泻痢保童丸
TCMF681	Xie Li Xiao Capsule	泻痢消胶囊
TCMF6718	Xie Li Xiao Capsules	泻痢消胶囊
TCMFx1189	Xuan Shi Solution	癣湿药水
TCMFx6077	Yang Yin Jiang Ye Capsules	养阴降压胶囊
TCMFx6333	Yu Lian Tablets	萸连片
TCMFx6057	Zhi Li Tablets	治痢片
TCMF6662	Zhi Xie Bao Tong Infusion	止泻保童冲剂
TCMFx405	Zuo Jin Capsule	左金胶囊
TCMFx1211	Zuojin Bolus; Left Gold Pill; Liver-fire-Purging and Stomach-Regulating Pill	左金丸
TCMFx1505	Zuojin Bolus; Left Gold Pills	左金丸

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
TCMT11	HIF1A	Hypoxia-inducible factor 1 alpha	Transcription factor	Q16665
TCMT13	APEX1	DNA-(apurinic or apyrimidinic site) lyase	Lyase	P27695
TCMT150	RORC	Nuclear receptor ROR-gamma	Nuclear receptor	P51449
TCMT156	CYP19A1	Cytochrome P450 19A1	Oxidoreductase	P11511
TCMT17	POLB	DNA polymerase beta	Transferase	P06746
TCMT2	MAPT	Microtubule-associated protein tau	Unclassified	P10636
TCMT248	CXCL8	Interleukin-8	Unclassified	P10145
TCMT261	DAPK1	Death-associated protein kinase 1	Kinase	P53355
TCMT3	ALOX15	Arachidonate 15-lipoxygenase	Oxidoreductase	P16050
TCMT313	HTR2B	Serotonin 2b (5-HT2b) receptor	GPCR	P41595
TCMT314	HTR2C	Serotonin 2c (5-HT2c) receptor	GPCR	P28335
TCMT315	HTR6	Serotonin 6 (5-HT6) receptor	GPCR	P50406
TCMT316	MTNR1A	Melatonin receptor 1A	GPCR	P48039
TCMT317	MTNR1B	Melatonin receptor 1B	GPCR	P49286
TCMT321	MMP9	Matrix metalloproteinase 9	Hydrolase	P14780
TCMT33	CYP3A4	Cytochrome P450 3A4	Oxidoreductase	P08684
TCMT34	CYP2D6	Cytochrome P450 2D6	Oxidoreductase	P10635
TCMT36	HTR1A	Serotonin 1a (5-HT1a) receptor	GPCR	P08908
TCMT37	HTR2A	Serotonin 2a (5-HT2a) receptor	GPCR	P28223
TCMT45	APP	Beta amyloid A4 protein	Unclassified	P05067
TCMT609	CTSL	Cathepsin L	Unclassified	P07711
TCMT637	SIRT3	NAD-dependent deacetylase sirtuin 3	Hydrolase	Q9NTG7
TCMT638	SIRT2	NAD-dependent deacetylase sirtuin 2	Hydrolase	Q8IXJ6
TCMT8	KDM4E	Lysine-specific demethylase 4D-like	Oxidoreductase	B2RXH2
TCMT87	CYP2C9	Cytochrome P450 2C9	Oxidoreductase	P11712

Targeted Pathogenic Microbes by the Ingredient of Component

Target ID	Target Name
TCMT1109	Reverse transcriptase
TCMT1121	Sialidase
TCMT1136	Neuraminidase
TCMT1255	Human immunodeficiency virus 1
TCMT1318	Human T-lymphotropic virus 1
TCMT1454	Bacillus subtilis
TCMT1462	Streptococcus mutans

Ingredient Structrues

Ingredient ID: TCMC7366
Formula: C28H32O10

Common Name	Rutaevin Acetate
IUPAC Name	[(1R,2R,7S,10S,12R,13S,14R,16S,19S,20S)-19-(furan-3-yl)-9,9,13,20-tetramethyl-5,11,17-trioxo-4,8,15,18-tetraoxahexacyclo[11.9.0.02,7.02,10.014,16.014,20]docosan-12-yl] acetate
Canonical SMILES	CC(=O)O[C@H]1C(=O)[C@@H]2C(C)(C)O[C@@H]3[C@@]2([C@@H]2[C@]1(C)[C@@]14O[C@@H]1C(=O)O[C@H]([C@@]4(CC2)C)c1cocc1)COC(=O)C3
Standard InCHI	InChI=1S/C28H32O10/c1-13(29)35-21-18(31)19-24(2,3)37-16-10-17(30)34-12-27(16,19)15-6-8-25(4)20(14-7-9-33-11-14)36-23(32)22-28(25,38-22)26(15,21)5/h7,9,11,15-16,19-22H,6,8,10,12H2,1-5H3/t15-,16-,19+,20-,21-,22+,25-,26-,27-,28+/m0/s1
Standard InCHIKey	YBJGIQUVRQCMSY-VZGSZHHKSA-N
External Identifiers	ChEMBL [N/A]; PubChem [131676076];
Reference of Component-Ingredient Pair	N/A

Occurrence of the ingredient across TCM components

Component ID	Latin Name	Pinyin Name	Chinese Name
TCMH2216	Evodia rutaecarpa	Wu Zhu Yu	吴茱萸

Ingredient ID: TCMC7252
Formula: C25H37NO

Common Name	1-Methyl-2-[(Z)-9-Pentadecenyl]-4(1H)-Quinolone
IUPAC Name	1-methyl-2-[(Z)-pentadec-9-enyl]quinolin-4-one
Canonical SMILES	CCCCC/C=CCCCCCCCCc1cc(=O)c2c(n1C)cccc2
Standard InCHI	InChI=1S/C25H37NO/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-18-22-21-25(27)23-19-16-17-20-24(23)26(22)2/h7-8,16-17,19-21H,3-6,9-15,18H2,1-2H3/b8-7-
Standard InCHIKey	MRCULLZMMHZIEL-FPLPWBNLSA-N
External Identifiers	ChEMBL [N/A]; PubChem [102003052];
Reference of Component-Ingredient Pair	N/A

Occurrence of the ingredient across TCM components

Component ID	Latin Name	Pinyin Name	Chinese Name
TCMH2216	Evodia rutaecarpa	Wu Zhu Yu	吴茱萸

Ingredient ID: TCMC6984
Formula: C26H28O8

Common Name	Jangomolide
IUPAC Name	(1R,2S,7R,10R,13R,14R,16S,19S,20S)-19-(furan-3-yl)-9,9,13,20-tetramethyl-6,8,15,18-tetraoxahexacyclo[11.9.0.02,7.02,10.014,16.014,20]docos-3-ene-5,12,17-trione
Canonical SMILES	O=C1C=C[C@@]23[C@@H](O1)OC([C@@H]2CC(=O)[C@@]1([C@@H]3CC[C@@]2([C@]31O[C@@H]3C(=O)O[C@H]2c1cocc1)C)C)(C)C
Standard InCHI	InChI=1S/C26H28O8/c1-22(2)15-11-16(27)24(4)14(25(15)9-6-17(28)31-21(25)34-22)5-8-23(3)18(13-7-10-30-12-13)32-20(29)19-26(23,24)33-19/h6-7,9-10,12,14-15,18-19,21H,5,8,11H2,1-4H3/t14-,15-,18-,19+,21-,23-,24-,25-,26+/m0/s1
Standard InCHIKey	ZYPFSBYGJYBBBK-CUDNKCDQSA-N
External Identifiers	ChEMBL [N/A]; PubChem [91895448];
Reference of Component-Ingredient Pair	N/A

Occurrence of the ingredient across TCM components

Component ID	Latin Name	Pinyin Name	Chinese Name
TCMH2216	Evodia rutaecarpa	Wu Zhu Yu	吴茱萸

Ingredient ID: TCMC6123
Formula: C26H28O10

Common Name	12Α-Hydroxyevodol
IUPAC Name	(1R,2R,7S,13R,14R,16S,19S,20S,21S)-19-(furan-3-yl)-11,21-dihydroxy-9,9,13,20-tetramethyl-4,8,15,18-tetraoxahexacyclo[11.9.0.02,7.02,10.014,16.014,20]docos-10-ene-5,12,17-trione
Canonical SMILES	O=C1OC[C@]23[C@H](C1)OC(C2=C(O)C(=O)[C@@]1([C@@H]3C[C@H](O)[C@@]2([C@]31O[C@@H]3C(=O)O[C@H]2c1cocc1)C)C)(C)C
Standard InCHI	InChI=1S/C26H28O10/c1-22(2)17-16(29)18(30)23(3)12(25(17)10-33-15(28)8-14(25)35-22)7-13(27)24(4)19(11-5-6-32-9-11)34-21(31)20-26(23,24)36-20/h5-6,9,12-14,19-20,27,29H,7-8,10H2,1-4H3/t12-,13-,14-,19-,20+,23-,24-,25-,26-/m0/s1
Standard InCHIKey	GVZAWWJSPGIYFX-MLAPLXGTSA-N
External Identifiers	ChEMBL [N/A]; PubChem [14240963];
Reference of Component-Ingredient Pair	N/A

Occurrence of the ingredient across TCM components

Component ID	Latin Name	Pinyin Name	Chinese Name
TCMH2216	Evodia rutaecarpa	Wu Zhu Yu	吴茱萸

Ingredient ID: TCMC6061
Formula: C19H27NO

Common Name	1-Methyl-2-Nonyl-4(1H)-Quinolone
IUPAC Name	1-methyl-2-nonylquinolin-4-one
Canonical SMILES	CCCCCCCCCc1cc(=O)c2c(n1C)cccc2
Standard InCHI	InChI=1S/C19H27NO/c1-3-4-5-6-7-8-9-12-16-15-19(21)17-13-10-11-14-18(17)20(16)2/h10-11,13-15H,3-9,12H2,1-2H3
Standard InCHIKey	XIGBBPQAXHSVSN-UHFFFAOYSA-N
External Identifiers	ChEMBL [N/A]; PubChem [13967189];
Reference of Component-Ingredient Pair	N/A

Occurrence of the ingredient across TCM components

Component ID	Latin Name	Pinyin Name	Chinese Name
TCMH2216	Evodia rutaecarpa	Wu Zhu Yu	吴茱萸

Ingredient ID: TCMC5692
Formula: C16H16O6

Common Name	Arachidoside
IUPAC Name	(2R,3R)-2-(4-hydroxy-3-methoxyphenyl)-3,4-dihydro-2H-chromene-3,5,7-triol
Canonical SMILES	COc1cc(ccc1O)[C@H]1Oc2cc(O)cc(c2C[C@H]1O)O
Standard InCHI	InChI=1S/C16H16O6/c1-21-15-4-8(2-3-11(15)18)16-13(20)7-10-12(19)5-9(17)6-14(10)22-16/h2-6,13,16-20H,7H2,1H3/t13-,16-/m1/s1
Standard InCHIKey	NJHJXXLBWQXMRO-CZUORRHYSA-N
External Identifiers	ChEMBL [CHEMBL2297044]; PubChem [11420256];
Reference of Component-Ingredient Pair	21080642

Occurrence of the ingredient across TCM components

Component ID	Latin Name	Pinyin Name	Chinese Name
TCMH2216	Evodia rutaecarpa	Wu Zhu Yu	吴茱萸

Ingredient ID: TCMC555
Formula: C13H18N2O

Common Name	5-Meo-Dmt
IUPAC Name	2-(5-methoxy-1H-indol-3-yl)-N,N-dimethylethanamine
Canonical SMILES	COc1ccc2c(c1)c(CCN(C)C)c[nH]2
Standard InCHI	InChI=1S/C13H18N2O/c1-15(2)7-6-10-9-14-13-5-4-11(16-3)8-12(10)13/h4-5,8-9,14H,6-7H2,1-3H3
Standard InCHIKey	ZSTKHSQDNIGFLM-UHFFFAOYSA-N
External Identifiers	ChEMBL [CHEMBL7257]; PubChem [1832];
Reference of Component-Ingredient Pair	25877327

Occurrence of the ingredient across TCM components

Component ID	Latin Name	Pinyin Name	Chinese Name
TCMH2710	Homo sapiens	Zi He Che	紫河车
TCMH2216	Evodia rutaecarpa	Wu Zhu Yu	吴茱萸
TCMH1734	Homo sapiens	Ren Zhong Bai	人中白

Ingredient ID: TCMC5246
Formula: C26H30O9

Common Name	Evodinone
IUPAC Name	(1R,2R,7S,10S,12R,13S,14R,16S,19S,20S)-19-(furan-3-yl)-12-hydroxy-9,9,13,20-tetramethyl-4,8,15,18-tetraoxahexacyclo[11.9.0.02,7.02,10.014,16.014,20]docosane-5,11,17-trione
Canonical SMILES	O=C1OC[C@]23[C@H](C1)OC([C@H]2C(=O)[C@@H]([C@@]1([C@@H]3CC[C@@]2([C@]31O[C@@H]3C(=O)O[C@H]2c1cocc1)C)C)O)(C)C
Standard InCHI	InChI=1S/C26H30O9/c1-22(2)17-16(28)18(29)24(4)13(25(17)11-32-15(27)9-14(25)34-22)5-7-23(3)19(12-6-8-31-10-12)33-21(30)20-26(23,24)35-20/h6,8,10,13-14,17-20,29H,5,7,9,11H2,1-4H3/t13-,14-,17+,18-,19-,20+,23-,24-,25-,26+/m0/s1
Standard InCHIKey	YZMKFMIZNSOPSN-ZIQVUAKTSA-N
External Identifiers	ChEMBL [N/A]; PubChem [9848259];
Reference of Component-Ingredient Pair	N/A

Occurrence of the ingredient across TCM components

Component ID	Latin Name	Pinyin Name	Chinese Name
TCMH2216	Evodia rutaecarpa	Wu Zhu Yu	吴茱萸

Ingredient ID: TCMC5232
Formula: C19H15N3O

Common Name	Dehydroevodiamine
IUPAC Name	21-methyl-3,13,21-triazapentacyclo[11.8.0.02,10.04,9.015,20]henicosa-1,3,5,7,9,15,17,19-octaen-14-one
Canonical SMILES	Cn1c2ccccc2c(=O)n2c1=C1N=c3c(=C1CC2)cccc3
Standard InCHI	InChI=1S/C19H15N3O/c1-21-16-9-5-3-7-14(16)19(23)22-11-10-13-12-6-2-4-8-15(12)20-17(13)18(21)22/h2-9H,10-11H2,1H3
Standard InCHIKey	VXHNSVKJHXSKKM-UHFFFAOYSA-N
External Identifiers	ChEMBL [N/A]; PubChem [9817839];
Reference of Component-Ingredient Pair	22582827

Occurrence of the ingredient across TCM components

Component ID	Latin Name	Pinyin Name	Chinese Name
TCMH2216	Evodia rutaecarpa	Wu Zhu Yu	吴茱萸

Ingredient ID: TCMC4987
Formula: C10H16

Common Name	Ocimene
IUPAC Name	(3Z)-3,7-dimethylocta-1,3,7-triene
Canonical SMILES	C=C/C(=CCCC(=C)C)/C
Standard InCHI	InChI=1S/C10H16/c1-5-10(4)8-6-7-9(2)3/h5,8H,1-2,6-7H2,3-4H3/b10-8-
Standard InCHIKey	XJPBRODHZKDRCB-NTMALXAHSA-N
External Identifiers	ChEMBL [N/A]; PubChem [5463455];
Reference of Component-Ingredient Pair	20237771

Occurrence of the ingredient across TCM components

Component ID	Latin Name	Pinyin Name	Chinese Name
TCMH2216	Evodia rutaecarpa	Wu Zhu Yu	吴茱萸

Ingredient ID: TCMC4897
Formula: C23H35NO

Common Name	2-Tridecyl-1-Methyl-4(1H)-Quinolone
IUPAC Name	1-methyl-2-tridecylquinolin-4-one
Canonical SMILES	CCCCCCCCCCCCCc1cc(=O)c2c(n1C)cccc2
Standard InCHI	InChI=1S/C23H35NO/c1-3-4-5-6-7-8-9-10-11-12-13-16-20-19-23(25)21-17-14-15-18-22(21)24(20)2/h14-15,17-19H,3-13,16H2,1-2H3
Standard InCHIKey	DWHCRAGHDDLXEM-UHFFFAOYSA-N
External Identifiers	ChEMBL [CHEMBL1643843]; PubChem [5322031];
Reference of Component-Ingredient Pair	27165707

Occurrence of the ingredient across TCM components

Component ID	Latin Name	Pinyin Name	Chinese Name
TCMH2216	Evodia rutaecarpa	Wu Zhu Yu	吴茱萸

Ingredient ID: TCMC4776
Formula: C21H31NO

Common Name	1-Methyl-2-Undecyl-4(1H)-Quinolilone
IUPAC Name	1-methyl-2-undecylquinolin-4-one
Canonical SMILES	CCCCCCCCCCCc1cc(=O)c2c(n1C)cccc2
Standard InCHI	InChI=1S/C21H31NO/c1-3-4-5-6-7-8-9-10-11-14-18-17-21(23)19-15-12-13-16-20(19)22(18)2/h12-13,15-17H,3-11,14H2,1-2H3
Standard InCHIKey	ZLIHBZFNMQLPOT-UHFFFAOYSA-N
External Identifiers	ChEMBL [N/A]; PubChem [5319811];
Reference of Component-Ingredient Pair	21320305

Occurrence of the ingredient across TCM components

Component ID	Latin Name	Pinyin Name	Chinese Name
TCMH2216	Evodia rutaecarpa	Wu Zhu Yu	吴茱萸

Ingredient ID: TCMC4775
Formula: C21H29NO

Common Name	1-Methyl-2-[(Z)-6-Undecenyl]-4(1H)-Quinolone
IUPAC Name	1-methyl-2-[(Z)-undec-6-enyl]quinolin-4-one
Canonical SMILES	CCCC/C=CCCCCCc1cc(=O)c2c(n1C)cccc2
Standard InCHI	InChI=1S/C21H29NO/c1-3-4-5-6-7-8-9-10-11-14-18-17-21(23)19-15-12-13-16-20(19)22(18)2/h6-7,12-13,15-17H,3-5,8-11,14H2,1-2H3/b7-6-
Standard InCHIKey	ILAQTUNYLVMXNW-SREVYHEPSA-N
External Identifiers	ChEMBL [N/A]; PubChem [5319810];
Reference of Component-Ingredient Pair	N/A

Occurrence of the ingredient across TCM components

Component ID	Latin Name	Pinyin Name	Chinese Name
TCMH2216	Evodia rutaecarpa	Wu Zhu Yu	吴茱萸

Ingredient ID: TCMC4774
Formula: C21H29NO

Common Name	1-Methyl-2-[(Z)-5-Undecenyl]-4(1H)-Quinolone
IUPAC Name	1-methyl-2-[(Z)-undec-5-enyl]quinolin-4-one
Canonical SMILES	CCCCC/C=CCCCCc1cc(=O)c2c(n1C)cccc2
Standard InCHI	InChI=1S/C21H29NO/c1-3-4-5-6-7-8-9-10-11-14-18-17-21(23)19-15-12-13-16-20(19)22(18)2/h7-8,12-13,15-17H,3-6,9-11,14H2,1-2H3/b8-7-
Standard InCHIKey	JWKBGGZMJGQAIK-FPLPWBNLSA-N
External Identifiers	ChEMBL [CHEMBL1643834]; PubChem [5319809];
Reference of Component-Ingredient Pair	27239783

Occurrence of the ingredient across TCM components

Component ID	Latin Name	Pinyin Name	Chinese Name
TCMH2216	Evodia rutaecarpa	Wu Zhu Yu	吴茱萸

Ingredient ID: TCMC4769
Formula: C23H31NO

Common Name	1-Methyl-2-(4Z,7Z)-4,7-Tridecadienyl-4(1H)-Quinolinone
IUPAC Name	1-methyl-2-[(4Z,7Z)-trideca-4,7-dienyl]quinolin-4-one
Canonical SMILES	CCCCC/C=CC/C=CCCCc1cc(=O)c2c(n1C)cccc2
Standard InCHI	InChI=1S/C23H31NO/c1-3-4-5-6-7-8-9-10-11-12-13-16-20-19-23(25)21-17-14-15-18-22(21)24(20)2/h7-8,10-11,14-15,17-19H,3-6,9,12-13,16H2,1-2H3/b8-7-,11-10-
Standard InCHIKey	JYQCHQIQAURYAG-NQLNTKRDSA-N
External Identifiers	ChEMBL [N/A]; PubChem [5319796];
Reference of Component-Ingredient Pair	21320305

Occurrence of the ingredient across TCM components

Component ID	Latin Name	Pinyin Name	Chinese Name
TCMH2216	Evodia rutaecarpa	Wu Zhu Yu	吴茱萸

Ingredient ID: TCMC4768
Formula: C23H33NO

Common Name	1-Methyl-2-[(Z)-7-Tridecenyl]-4(1H)-Quinolone
IUPAC Name	1-methyl-2-[(Z)-tridec-7-enyl]quinolin-4-one
Canonical SMILES	CCCCC/C=CCCCCCCc1cc(=O)c2c(n1C)cccc2
Standard InCHI	InChI=1S/C23H33NO/c1-3-4-5-6-7-8-9-10-11-12-13-16-20-19-23(25)21-17-14-15-18-22(21)24(20)2/h7-8,14-15,17-19H,3-6,9-13,16H2,1-2H3/b8-7-
Standard InCHIKey	GXRKDSSARDBYHW-FPLPWBNLSA-N
External Identifiers	ChEMBL [CHEMBL1643851]; PubChem [5319779];
Reference of Component-Ingredient Pair	21320305

Occurrence of the ingredient across TCM components

Component ID	Latin Name	Pinyin Name	Chinese Name
TCMH2216	Evodia rutaecarpa	Wu Zhu Yu	吴茱萸

Ingredient ID: TCMC4766
Formula: C25H39NO

Common Name	1-Methyl-2-Pentadecyl-4(1H)-Quinolone
IUPAC Name	1-methyl-2-pentadecylquinolin-4-one
Canonical SMILES	CCCCCCCCCCCCCCCc1cc(=O)c2c(n1C)cccc2
Standard InCHI	InChI=1S/C25H39NO/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-18-22-21-25(27)23-19-16-17-20-24(23)26(22)2/h16-17,19-21H,3-15,18H2,1-2H3
Standard InCHIKey	YOXIQBPUPGISEN-UHFFFAOYSA-N
External Identifiers	ChEMBL [CHEMBL1643844]; PubChem [5319753];
Reference of Component-Ingredient Pair	21320305

Occurrence of the ingredient across TCM components

Component ID	Latin Name	Pinyin Name	Chinese Name
TCMH2216	Evodia rutaecarpa	Wu Zhu Yu	吴茱萸

Ingredient ID: TCMC4765
Formula: C25H37NO

Common Name	1-Methyl-2-[(Z)-10-Pentadecenyl]-4(1H)-Quinolone
IUPAC Name	1-methyl-2-[(Z)-pentadec-10-enyl]quinolin-4-one
Canonical SMILES	CCCC/C=CCCCCCCCCCc1cc(=O)c2c(n1C)cccc2
Standard InCHI	InChI=1S/C25H37NO/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-18-22-21-25(27)23-19-16-17-20-24(23)26(22)2/h6-7,16-17,19-21H,3-5,8-15,18H2,1-2H3/b7-6-
Standard InCHIKey	PNTAWDRGJFZGEL-SREVYHEPSA-N
External Identifiers	ChEMBL [N/A]; PubChem [5319752];
Reference of Component-Ingredient Pair	N/A

Occurrence of the ingredient across TCM components

Component ID	Latin Name	Pinyin Name	Chinese Name
TCMH2216	Evodia rutaecarpa	Wu Zhu Yu	吴茱萸

Ingredient ID: TCMC4764
Formula: C25H37NO

Common Name	1-Methyl-2-[(Z)-6-Pentadecenyl]-4(1H)-Quinolone
IUPAC Name	1-methyl-2-[(Z)-pentadec-6-enyl]quinolin-4-one
Canonical SMILES	CCCCCCCC/C=CCCCCCc1cc(=O)c2c(n1C)cccc2
Standard InCHI	InChI=1S/C25H37NO/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-18-22-21-25(27)23-19-16-17-20-24(23)26(22)2/h10-11,16-17,19-21H,3-9,12-15,18H2,1-2H3/b11-10-
Standard InCHIKey	IQBLVLZFKVROKG-KHPPLWFESA-N
External Identifiers	ChEMBL [N/A]; PubChem [5319751];
Reference of Component-Ingredient Pair	N/A

Occurrence of the ingredient across TCM components

Component ID	Latin Name	Pinyin Name	Chinese Name
TCMH2216	Evodia rutaecarpa	Wu Zhu Yu	吴茱萸

Ingredient ID: TCMC4763
Formula: C25H35NO

Common Name	1-Methyl-2-[(6Z,9Z)-6,9-Pentadecadienyl]-4(1H)-Quinolone
IUPAC Name	1-methyl-2-[(6Z,9Z)-pentadeca-6,9-dienyl]quinolin-4-one
Canonical SMILES	CCCCC/C=CC/C=CCCCCCc1cc(=O)c2c(n1C)cccc2
Standard InCHI	InChI=1S/C25H35NO/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-18-22-21-25(27)23-19-16-17-20-24(23)26(22)2/h7-8,10-11,16-17,19-21H,3-6,9,12-15,18H2,1-2H3/b8-7-,11-10-
Standard InCHIKey	ZVODRCBOPULJKJ-NQLNTKRDSA-N
External Identifiers	ChEMBL [N/A]; PubChem [5319750];
Reference of Component-Ingredient Pair	21320305

Occurrence of the ingredient across TCM components

Component ID	Latin Name	Pinyin Name	Chinese Name
TCMH2216	Evodia rutaecarpa	Wu Zhu Yu	吴茱萸

Ingredient ID: TCMC4752
Formula: C22H33NO

Common Name	1-Methyl-2-Dodecyl-4(1H)-Quinolone
IUPAC Name	2-dodecyl-1-methylquinolin-4-one
Canonical SMILES	CCCCCCCCCCCCc1cc(=O)c2c(n1C)cccc2
Standard InCHI	InChI=1S/C22H33NO/c1-3-4-5-6-7-8-9-10-11-12-15-19-18-22(24)20-16-13-14-17-21(20)23(19)2/h13-14,16-18H,3-12,15H2,1-2H3
Standard InCHIKey	URTNWZJTIJSNON-UHFFFAOYSA-N
External Identifiers	ChEMBL [N/A]; PubChem [5319601];
Reference of Component-Ingredient Pair	15941049

Occurrence of the ingredient across TCM components

Component ID	Latin Name	Pinyin Name	Chinese Name
TCMH2216	Evodia rutaecarpa	Wu Zhu Yu	吴茱萸

Ingredient ID: TCMC4744
Formula: C18H19N3O

Common Name	N-(2-Methylaminobenzoyl)Tryptamine
IUPAC Name	N-[2-(1H-indol-3-yl)ethyl]-2-(methylamino)benzamide
Canonical SMILES	CNc1ccccc1C(=O)NCCc1c[nH]c2c1cccc2
Standard InCHI	InChI=1S/C18H19N3O/c1-19-16-8-4-3-7-15(16)18(22)20-11-10-13-12-21-17-9-5-2-6-14(13)17/h2-9,12,19,21H,10-11H2,1H3,(H,20,22)
Standard InCHIKey	ALKZZCZKVMJWBG-UHFFFAOYSA-N
External Identifiers	ChEMBL [N/A]; PubChem [5319506];
Reference of Component-Ingredient Pair	N/A

Occurrence of the ingredient across TCM components

Component ID	Latin Name	Pinyin Name	Chinese Name
TCMH2216	Evodia rutaecarpa	Wu Zhu Yu	吴茱萸

Ingredient ID: TCMC4603
Formula: C19H17N3O2

Common Name	Goshuyuamideii
IUPAC Name	3-[2-(1H-indol-3-yl)ethyl]-1-methylquinazoline-2,4-dione
Canonical SMILES	Cn1c(=O)n(CCc2c[nH]c3c2cccc3)c(=O)c2c1cccc2
Standard InCHI	InChI=1S/C19H17N3O2/c1-21-17-9-5-3-7-15(17)18(23)22(19(21)24)11-10-13-12-20-16-8-4-2-6-14(13)16/h2-9,12,20H,10-11H2,1H3
Standard InCHIKey	ABJKRFDXAMKDAI-UHFFFAOYSA-N
External Identifiers	ChEMBL [N/A]; PubChem [5317828];
Reference of Component-Ingredient Pair	N/A

Occurrence of the ingredient across TCM components

Component ID	Latin Name	Pinyin Name	Chinese Name
TCMH2216	Evodia rutaecarpa	Wu Zhu Yu	吴茱萸

Ingredient ID: TCMC4602
Formula: C19H19N3O

Common Name	Goshuyuamide I
IUPAC Name	[2-(methylamino)phenyl]-(1,3,4,9-tetrahydropyrido[3,4-b]indol-2-yl)methanone
Canonical SMILES	CNc1ccccc1C(=O)N1CCc2c(C1)[nH]c1c2cccc1
Standard InCHI	InChI=1S/C19H19N3O/c1-20-16-8-4-3-7-15(16)19(23)22-11-10-14-13-6-2-5-9-17(13)21-18(14)12-22/h2-9,20-21H,10-12H2,1H3
Standard InCHIKey	MWTCEIFXSZZCBO-UHFFFAOYSA-N
External Identifiers	ChEMBL [N/A]; PubChem [5317827];
Reference of Component-Ingredient Pair	N/A

Occurrence of the ingredient across TCM components

Component ID	Latin Name	Pinyin Name	Chinese Name
TCMH2216	Evodia rutaecarpa	Wu Zhu Yu	吴茱萸

Ingredient ID: TCMC4561
Formula: C19H15N3O2

Common Name	14-Formyldihydrorutaecarpine
IUPAC Name	(1S)-14-oxo-3,13,21-triazapentacyclo[11.8.0.02,10.04,9.015,20]henicosa-2(10),4,6,8,15,17,19-heptaene-21-carbaldehyde
Canonical SMILES	O=CN1c2ccccc2C(=O)N2[C@H]1c1[nH]c3c(c1CC2)cccc3
Standard InCHI	InChI=1S/C19H15N3O2/c23-11-22-16-8-4-2-6-14(16)19(24)21-10-9-13-12-5-1-3-7-15(12)20-17(13)18(21)22/h1-8,11,18,20H,9-10H2/t18-/m1/s1
Standard InCHIKey	JUVKOVVIBPSXTO-GOSISDBHSA-N
External Identifiers	ChEMBL [N/A]; PubChem [5317369];
Reference of Component-Ingredient Pair	16986209

Occurrence of the ingredient across TCM components

Component ID	Latin Name	Pinyin Name	Chinese Name
TCMH2216	Evodia rutaecarpa	Wu Zhu Yu	吴茱萸

Ingredient ID: TCMC4555
Formula: C23H33NO

Common Name	Evocarpine
IUPAC Name	1-methyl-2-[(Z)-tridec-8-enyl]quinolin-4-one
Canonical SMILES	CCCC/C=CCCCCCCCc1cc(=O)c2c(n1C)cccc2
Standard InCHI	InChI=1S/C23H33NO/c1-3-4-5-6-7-8-9-10-11-12-13-16-20-19-23(25)21-17-14-15-18-22(21)24(20)2/h6-7,14-15,17-19H,3-5,8-13,16H2,1-2H3/b7-6-
Standard InCHIKey	HWFYWIVOYBPLQU-SREVYHEPSA-N
External Identifiers	ChEMBL [N/A]; PubChem [5317303];
Reference of Component-Ingredient Pair	21320305

Occurrence of the ingredient across TCM components

Component ID	Latin Name	Pinyin Name	Chinese Name
TCMH2216	Evodia rutaecarpa	Wu Zhu Yu	吴茱萸

Ingredient ID: TCMC4422
Formula: C14H24O2

Common Name	Goshuyic Acid
IUPAC Name	(5Z,8Z)-tetradeca-5,8-dienoic acid
Canonical SMILES	CCCCC/C=CC/C=CCCCC(=O)[O-]
Standard InCHI	InChI=1S/C14H24O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14(15)16/h6-7,9-10H,2-5,8,11-13H2,1H3,(H,15,16)/p-1/b7-6-,10-9-
Standard InCHIKey	HXHZGHRLVRFQDR-HZJYTTRNSA-M
External Identifiers	ChEMBL [N/A]; PubChem [5312409];
Reference of Component-Ingredient Pair	N/A

Occurrence of the ingredient across TCM components

Component ID	Latin Name	Pinyin Name	Chinese Name
TCMH2216	Evodia rutaecarpa	Wu Zhu Yu	吴茱萸

Ingredient ID: TCMC421
Formula: C9H10O3

Common Name	3,4-Dimethoxybenzaldehyde
IUPAC Name	3,4-dimethoxybenzaldehyde
Canonical SMILES	COc1cc(C=O)ccc1OC
Standard InCHI	InChI=1S/C9H10O3/c1-11-8-4-3-7(6-10)5-9(8)12-2/h3-6H,1-2H3
Standard InCHIKey	WJUFSDZVCOTFON-UHFFFAOYSA-N
External Identifiers	ChEMBL [CHEMBL1088937]; PubChem [8419];
Reference of Component-Ingredient Pair	N/A

Occurrence of the ingredient across TCM components

Component ID	Latin Name	Pinyin Name	Chinese Name
TCMH1962	Gymnadenia conopsea	Shou Shen	手参
TCMH2216	Evodia rutaecarpa	Wu Zhu Yu	吴茱萸

Ingredient ID: TCMC4045
Formula: C22H33NO

Common Name	2-Tridecyl-4(1H)-Quinolone
IUPAC Name	2-tridecyl-1H-quinolin-4-one
Canonical SMILES	CCCCCCCCCCCCCc1cc(=O)c2c([nH]1)cccc2
Standard InCHI	InChI=1S/C22H33NO/c1-2-3-4-5-6-7-8-9-10-11-12-15-19-18-22(24)20-16-13-14-17-21(20)23-19/h13-14,16-18H,2-12,15H2,1H3,(H,23,24)
Standard InCHIKey	FNWGQRPIGZVQLF-UHFFFAOYSA-N
External Identifiers	ChEMBL [N/A]; PubChem [594530];
Reference of Component-Ingredient Pair	US2016186168

Occurrence of the ingredient across TCM components

Component ID	Latin Name	Pinyin Name	Chinese Name
TCMH2216	Evodia rutaecarpa	Wu Zhu Yu	吴茱萸

Ingredient ID: TCMC403
Formula: C20H29NO

Common Name	2-Undecyl-1H-Quinolin-4-One
IUPAC Name	2-undecyl-1H-quinolin-4-one
Canonical SMILES	CCCCCCCCCCCc1cc(=O)c2c([nH]1)cccc2
Standard InCHI	InChI=1S/C20H29NO/c1-2-3-4-5-6-7-8-9-10-13-17-16-20(22)18-14-11-12-15-19(18)21-17/h11-12,14-16H,2-10,13H2,1H3,(H,21,22)
Standard InCHIKey	KKSIGOUTTVXAKQ-UHFFFAOYSA-N
External Identifiers	ChEMBL [CHEMBL2042447]; PubChem [10063343];
Reference of Component-Ingredient Pair	N/A

Occurrence of the ingredient across TCM components

Component ID	Latin Name	Pinyin Name	Chinese Name
TCMH2216	Evodia rutaecarpa	Wu Zhu Yu	吴茱萸

Ingredient ID: TCMC3708
Formula: C19H21N3O

Common Name	Evodiamide
IUPAC Name	N-[2-(1H-indol-3-yl)ethyl]-N-methyl-2-(methylamino)benzamide
Canonical SMILES	CNc1ccccc1C(=O)N(CCc1c[nH]c2c1cccc2)C
Standard InCHI	InChI=1S/C19H21N3O/c1-20-17-9-5-4-8-16(17)19(23)22(2)12-11-14-13-21-18-10-6-3-7-15(14)18/h3-10,13,20-21H,11-12H2,1-2H3
Standard InCHIKey	KDRYLUSBBOOWIC-UHFFFAOYSA-N
External Identifiers	ChEMBL [N/A]; PubChem [189454];
Reference of Component-Ingredient Pair	17655110

Occurrence of the ingredient across TCM components

Component ID	Latin Name	Pinyin Name	Chinese Name
TCMH2216	Evodia rutaecarpa	Wu Zhu Yu	吴茱萸

Ingredient ID: TCMC3689
Formula: C26H28O9

Common Name	Evodol
IUPAC Name	(1R,2R,7S,13R,14R,16S,19S,20S)-19-(furan-3-yl)-11-hydroxy-9,9,13,20-tetramethyl-4,8,15,18-tetraoxahexacyclo[11.9.0.02,7.02,10.014,16.014,20]docos-10-ene-5,12,17-trione
Canonical SMILES	O=C1OC[C@]23[C@H](C1)OC(C2=C(O)C(=O)[C@@]1([C@@H]3CC[C@@]2([C@]31O[C@@H]3C(=O)O[C@H]2c1cocc1)C)C)(C)C
Standard InCHI	InChI=1S/C26H28O9/c1-22(2)17-16(28)18(29)24(4)13(25(17)11-32-15(27)9-14(25)34-22)5-7-23(3)19(12-6-8-31-10-12)33-21(30)20-26(23,24)35-20/h6,8,10,13-14,19-20,28H,5,7,9,11H2,1-4H3/t13-,14-,19-,20+,23-,24-,25-,26+/m0/s1
Standard InCHIKey	SNGHLUWTFLYPMT-JPRNBFAHSA-N
External Identifiers	ChEMBL [N/A]; PubChem [185481];
Reference of Component-Ingredient Pair	23603659

Occurrence of the ingredient across TCM components

Component ID	Latin Name	Pinyin Name	Chinese Name
TCMH2216	Evodia rutaecarpa	Wu Zhu Yu	吴茱萸

Ingredient ID: TCMC3379
Formula: C8H10N2O

Common Name	N-Methylanthranylamide
IUPAC Name	2-(methylamino)benzamide
Canonical SMILES	CNc1ccccc1C(=O)N
Standard InCHI	InChI=1S/C8H10N2O/c1-10-7-5-3-2-4-6(7)8(9)11/h2-5,10H,1H3,(H2,9,11)
Standard InCHIKey	KTDNXQLRLSPQOK-UHFFFAOYSA-N
External Identifiers	ChEMBL [N/A]; PubChem [101222];
Reference of Component-Ingredient Pair	23090418

Occurrence of the ingredient across TCM components

Component ID	Latin Name	Pinyin Name	Chinese Name
TCMH2216	Evodia rutaecarpa	Wu Zhu Yu	吴茱萸

Ingredient ID: TCMC3369
Formula: C19H17N3O2

Common Name	Hydroxyevodiamine
IUPAC Name	2-[2-(methylamino)benzoyl]-4,9-dihydro-3H-pyrido[3,4-b]indol-1-one
Canonical SMILES	CNc1ccccc1C(=O)N1CCc2c(C1=O)[nH]c1c2cccc1
Standard InCHI	InChI=1S/C19H17N3O2/c1-20-15-8-4-3-7-14(15)18(23)22-11-10-13-12-6-2-5-9-16(12)21-17(13)19(22)24/h2-9,20-21H,10-11H2,1H3
Standard InCHIKey	RAEOYMOPVHBBKE-UHFFFAOYSA-N
External Identifiers	ChEMBL [CHEMBL508030]; PubChem [99652];
Reference of Component-Ingredient Pair	5624509

Occurrence of the ingredient across TCM components

Component ID	Latin Name	Pinyin Name	Chinese Name
TCMH924	Zanthoxylum bungeanum	Hua Jiao	花椒
TCMH2216	Evodia rutaecarpa	Wu Zhu Yu	吴茱萸

Ingredient ID: TCMC3300
Formula: C11H10N2O

Common Name	1,2,3,4-Tetrahydro-1-Oxo-Β-Carboline
IUPAC Name	2,3,4,9-tetrahydropyrido[3,4-b]indol-1-one
Canonical SMILES	O=C1NCCc2c1[nH]c1c2cccc1
Standard InCHI	InChI=1S/C11H10N2O/c14-11-10-8(5-6-12-11)7-3-1-2-4-9(7)13-10/h1-4,13H,5-6H2,(H,12,14)
Standard InCHIKey	FZHZQHNKCPJTNQ-UHFFFAOYSA-N
External Identifiers	ChEMBL [CHEMBL444810]; PubChem [87371];
Reference of Component-Ingredient Pair	21579570

Occurrence of the ingredient across TCM components

Component ID	Latin Name	Pinyin Name	Chinese Name
TCMH2216	Evodia rutaecarpa	Wu Zhu Yu	吴茱萸

Ingredient ID: TCMC2907
Formula: C10H9NO

Common Name	Echinopsine
IUPAC Name	1-methylquinolin-4-one
Canonical SMILES	Cn1ccc(=O)c2c1cccc2
Standard InCHI	InChI=1S/C10H9NO/c1-11-7-6-10(12)8-4-2-3-5-9(8)11/h2-7H,1H3
Standard InCHIKey	CSJAXRKDCCWCSJ-UHFFFAOYSA-N
External Identifiers	ChEMBL [N/A]; PubChem [6748];
Reference of Component-Ingredient Pair	25429842

Occurrence of the ingredient across TCM components

Component ID	Latin Name	Pinyin Name	Chinese Name
TCMH2216	Evodia rutaecarpa	Wu Zhu Yu	吴茱萸

Ingredient ID: TCMC284
Formula: C10H16

Common Name	1-Methyl-4-Prop-1-En-2-Ylcyclohexene
IUPAC Name	1-methyl-4-prop-1-en-2-ylcyclohexene
Canonical SMILES	CC1=CCC(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
Standard InCHIKey	XMGQYMWWDOXHJM-UHFFFAOYSA-N
External Identifiers	ChEMBL [CHEMBL15799]; PubChem [22311];
Reference of Component-Ingredient Pair	23449869

Occurrence of the ingredient across TCM components

Component ID	Latin Name	Pinyin Name	Chinese Name
TCMH211	Atractylodes lancea	Cang Zhu	苍术
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
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
TCMH1753	Boswellia carterii	Ru Xiang	乳香
TCMH2495	Artemisia capillaris	Yin Chen Hao Gan Jin Gao	茵陈蒿干浸膏
TCMH1348	Liquidambar formosana	Lu Lu Tong	路路通
TCMH1165	Murraya paniculata	Jiu Li Xiang	九里香
TCMH2144	Inula helenium	Tu Mu Xiang	土木香
TCMH2640	Valeriana jatamansii	Zhi Zhu Xiang	蜘蛛香
TCMH1186	Lycium chinense	Gou Qi Zi	枸杞子
TCMH120	Atractylodes macrocephala	Bai Zhu	白术
TCMH317	Capsella bursa-pastoris	Ci Cai	荠菜
TCMH1343	Aloe vera	Lu Hui	芦荟
TCMH1141	Schizonepeta tenuifolia	Jing Jie	荆芥
TCMH2265	Cyperus rotundus	Xiang Fu	香附
TCMH1212	Melia azedarach	Ku Lian Zi	苦楝子
TCMH2710	Homo sapiens	Zi He Che	紫河车
TCMH1336	Pandanus tectorius	Lu Dou	露兜
TCMH1825	Litsea cubeba	Shan Jiang Zi	山姜子
TCMH2050	Punica granatum	Suan Shi Liu	酸石榴
TCMH1894	Pinellia ternata	Sheng Ban Xia	生半夏
TCMH1872	Cnidium monnieri	She Ma Zi	蛇麻子
TCMH108	Perilla frutescens	Bai Su Zi	白苏子
TCMH422	Angelica sinensis	Dang Gui Gan Jin Gao	当归干浸膏
TCMH1839	Panax ginseng	Shan Shen	山参
TCMH2309	Allium macrostemon	Xie Bai	薤白
TCMH2239	Asarum sieboldii	Xi Xin	细辛
TCMH685	Syzygium aromaticum	Gong Ding Xiang	公丁香
TCMH619	Citrus medica var. sarcodactylis	Fo Shou	佛手
TCMH1665	Notopterygium incisum	Qiang Huo	羌活
TCMH670	Ligusticum sinense	Gao Ben	藁本
TCMH2206	Schisandra chinensis	Wu Wei Zi Liu Jin Gao	五味子流浸膏
TCMH2545	Houttuynia cordata	Yu Xing Cao	鱼腥草
TCMH970	Vitex negundo	Huang Jing Zi	黄荆子
TCMH223	Platycladus orientalis	Ce Bai Tan	侧柏炭
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
TCMH502	Rabdosia rubescens	Dong Ling Cao	冬凌草
TCMH1531	Akebia quinata	Mu Tong	木通
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
TCMH2216	Evodia rutaecarpa	Wu Zhu Yu	吴茱萸
TCMH1741	Myristica fragrans	Rou Dou Kou	肉豆蔻
TCMH1804	Amomum villosum	Sha Ren Ye	砂仁叶
TCMH1184	Citrus reticulata	Ju Pi	橘皮
TCMH2282	Citrus medica	Xiang Yuan Pi	香橼皮
TCMH1777	Panax notoginseng	San Qi Ye Jing	三七叶茎
TCMH191	Mentha haplocalyx	Bo He You	薄荷油
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
TCMH421	Angelica sinensis	Dang Gui	当归
TCMH1866	Cnidium monnieri	She Chuang Zi	蛇床子
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
TCMH1185	Lycium chinense	Gou Qi	枸杞
TCMH1734	Homo sapiens	Ren Zhong Bai	人中白
TCMH592	Liquidambar formosana	Feng Xiang Ye	枫香叶
TCMH594	Liquidambar formosana	Feng Xiang Zhi Chou Gao	枫香脂稠膏
TCMH310	Melia azedarach	Chuan Lian	川楝
TCMH1211	Melia azedarach	Ku Lian Pi	苦楝皮
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
TCMH1943	Punica granatum	Shi Liu	石榴
TCMH1944	Punica granatum	Shi Liu Pi	石榴皮
TCMH1945	Punica granatum	Shi Liu Zi	石榴子
TCMH1770	Panax notoginseng	San Qi Gan Jin Gao	三七干浸膏
TCMH1771	Panax notoginseng	San Qi Gao Fen	三七膏粉
TCMH1772	Panax notoginseng	San Qi Hua	三七花
TCMH1774	Panax notoginseng	San Qi Jing Ye	三七茎叶
TCMH1776	Panax notoginseng	San Qi Ye	三七叶
TCMH309	Curcuma longa	Chuan Yu Jin	川郁金
TCMH1178	Citrus reticulata	Ju He	橘核
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
TCMH1721	Panax ginseng	Ren Shen	人参
TCMH1728	Panax ginseng	Ren Shen Ye	人参叶
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
TCMH292	Notopterygium incisum	Chuan Qiang Huo	川羌活
TCMH188	Mentha haplocalyx	Bo He	薄荷
TCMH486	Syzygium aromaticum	Ding Xiang	丁香
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
TCMH147	Glehnia littoralis	Bei Sha Shen	北沙参

Ingredient ID: TCMC2324
Formula: C10H16

Common Name	Limonene
IUPAC Name	(4R)-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-/m0/s1
Standard InCHIKey	XMGQYMWWDOXHJM-JTQLQIEISA-N
External Identifiers	ChEMBL [CHEMBL449062]; PubChem [440917];
Reference of Component-Ingredient Pair	22945026

Occurrence of the ingredient across TCM components

Component ID	Latin Name	Pinyin Name	Chinese Name
TCMH2595	Rhododendron micranthum	Zhao Shan Bai	照山白
TCMH211	Atractylodes lancea	Cang Zhu	苍术
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
TCMH2039	Caulis perillae frutescentis	Su Geng	苏梗
TCMH924	Zanthoxylum bungeanum	Hua Jiao	花椒
TCMH2630	Citrus aurantium	Zhi Shi	枳实
TCMH2026	Lignum pini nodi	Song Jie	松节
TCMH265	Laggera pterodonta	Chu Ling Dan Cao	臭灵丹草
TCMH1753	Boswellia carterii	Ru Xiang	乳香
TCMH2495	Artemisia capillaris	Yin Chen Hao Gan Jin Gao	茵陈蒿干浸膏
TCMH1348	Liquidambar formosana	Lu Lu Tong	路路通
TCMH1165	Murraya paniculata	Jiu Li Xiang	九里香
TCMH123	Pteris semipinnata	Ban Bian Qi	半边旗
TCMH2201	Securidaca inappendiculata	Wu Wei Teng	五味藤
TCMH2144	Inula helenium	Tu Mu Xiang	土木香
TCMH2640	Valeriana jatamansii	Zhi Zhu Xiang	蜘蛛香
TCMH1186	Lycium chinense	Gou Qi Zi	枸杞子
TCMH120	Atractylodes macrocephala	Bai Zhu	白术
TCMH2150	Cuscuta australis	Tu Si Zi Teng	菟丝子藤
TCMH2003	Kyllinga brevifolia	Shui Wu Gong	水蜈蚣
TCMH1343	Aloe vera	Lu Hui	芦荟
TCMH1141	Schizonepeta tenuifolia	Jing Jie	荆芥
TCMH2265	Cyperus rotundus	Xiang Fu	香附
TCMH1212	Melia azedarach	Ku Lian Zi	苦楝子
TCMH2710	Homo sapiens	Zi He Che	紫河车
TCMH1336	Pandanus tectorius	Lu Dou	露兜
TCMH1825	Litsea cubeba	Shan Jiang Zi	山姜子
TCMH2050	Punica granatum	Suan Shi Liu	酸石榴
TCMH1469	Flos mume	Mei Hua	梅花
TCMH1894	Pinellia ternata	Sheng Ban Xia	生半夏
TCMH1872	Cnidium monnieri	She Ma Zi	蛇麻子
TCMH108	Perilla frutescens	Bai Su Zi	白苏子
TCMH428	Codonopsis pilosula	Dang Shen Qing Gao	党参清膏
TCMH422	Angelica sinensis	Dang Gui Gan Jin Gao	当归干浸膏
TCMH1839	Panax ginseng	Shan Shen	山参
TCMH2309	Allium macrostemon	Xie Bai	薤白
TCMH2728	Aster tataricus	Zi Wan	紫菀
TCMH2239	Asarum sieboldii	Xi Xin	细辛
TCMH2129	Eupolyphaga sinensis	Tu Bie Chong	土鳖虫
TCMH685	Syzygium aromaticum	Gong Ding Xiang	公丁香
TCMH2200	Firmiana simplex	Wu Tong Ye Jin Gao	梧桐叶浸膏
TCMH1611	Rhizoma curcumae	Peng E Zhu	蓬莪术
TCMH619	Citrus medica var. sarcodactylis	Fo Shou	佛手
TCMH1665	Notopterygium incisum	Qiang Huo	羌活
TCMH670	Ligusticum sinense	Gao Ben	藁本
TCMH2651	Elsholtzia splendens	Zhou Ye Xiang Ru	皱叶香薷
TCMH2206	Schisandra chinensis	Wu Wei Zi Liu Jin Gao	五味子流浸膏
TCMH2545	Houttuynia cordata	Yu Xing Cao	鱼腥草
TCMH970	Vitex negundo	Huang Jing Zi	黄荆子
TCMH223	Platycladus orientalis	Ce Bai Tan	侧柏炭
TCMH2066	Santalum album	Tan Xiang	檀香
TCMH1622	Scutellaria baicalensis	Pian Qin	片芩
TCMH1000	Foeniculum vulgare	Hui Xiang	茴香
TCMH500	Benincasa hispida	Dong Gua Zi	冬瓜子
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
TCMH502	Rabdosia rubescens	Dong Ling Cao	冬凌草
TCMH1531	Akebia quinata	Mu Tong	木通
TCMH148	Glehnia littoralis	Bei Sha Shen Liu Jin Gao	北沙参流浸膏
TCMH71	Oldenlandia diffusa	Bai Hua She She Cao	白花蛇舌草
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
TCMH2216	Evodia rutaecarpa	Wu Zhu Yu	吴茱萸
TCMH203	Acorus calamus	Cang Chang Pu	藏菖蒲
TCMH1741	Myristica fragrans	Rou Dou Kou	肉豆蔻
TCMH2121	Semen astragali complanati	Tong Ji Li	潼蒺藜
TCMH1804	Amomum villosum	Sha Ren Ye	砂仁叶
TCMH1184	Citrus reticulata	Ju Pi	橘皮
TCMH2722	Perilla frutescens var. arguta	Zi Su Ye	紫苏叶
TCMH892	Hericium erinaceus	Hou Tou Jun	猴头菌
TCMH2282	Citrus medica	Xiang Yuan Pi	香橼皮
TCMH1142	Schizonepetae spica	Jing Jie Sui	荆芥穗
TCMH2213	Ipomoea cairica	Wu Zhao Long	五爪龙
TCMH13	Artemisia argyi	Ai Ye You	艾叶油
TCMH1777	Panax notoginseng	San Qi Ye Jing	三七叶茎
TCMH191	Mentha haplocalyx	Bo He You	薄荷油
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
TCMH1803	Amomum villosum	Sha Ren	砂仁
TCMH421	Angelica sinensis	Dang Gui	当归
TCMH1866	Cnidium monnieri	She Chuang Zi	蛇床子
TCMH2281	Citrus medica	Xiang Yuan	香橼
TCMH1810	Semen astragali complanati	Sha Yuan Ji Li	沙苑蒺藜
TCMH1811	Semen astragali complanati	Sha Yuan Zi	沙苑子
TCMH426	Codonopsis pilosula	Dang Shen	党参
TCMH498	Benincasa hispida	Dong Gua Pi	冬瓜皮
TCMH1185	Lycium chinense	Gou Qi	枸杞
TCMH1734	Homo sapiens	Ren Zhong Bai	人中白
TCMH592	Liquidambar formosana	Feng Xiang Ye	枫香叶
TCMH594	Liquidambar formosana	Feng Xiang Zhi Chou Gao	枫香脂稠膏
TCMH310	Melia azedarach	Chuan Lian	川楝
TCMH1211	Melia azedarach	Ku Lian Pi	苦楝皮
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
TCMH544	Curcuma aeruginosa	E Zhu	莪术
TCMH740	Rhizoma curcumae	Guang Xi E Zhu	广西莪术
TCMH1943	Punica granatum	Shi Liu	石榴
TCMH1944	Punica granatum	Shi Liu Pi	石榴皮
TCMH1945	Punica granatum	Shi Liu Zi	石榴子
TCMH1770	Panax notoginseng	San Qi Gan Jin Gao	三七干浸膏
TCMH1771	Panax notoginseng	San Qi Gao Fen	三七膏粉
TCMH1772	Panax notoginseng	San Qi Hua	三七花
TCMH1774	Panax notoginseng	San Qi Jing Ye	三七茎叶
TCMH1776	Panax notoginseng	San Qi Ye	三七叶
TCMH2276	Elsholtzia splendens	Xiang Ru	香薷
TCMH309	Curcuma longa	Chuan Yu Jin	川郁金
TCMH1178	Citrus reticulata	Ju He	橘核
TCMH12	Artemisia argyi	Ai Ye	艾叶
TCMH2148	Cuscuta australis	Tu Si Rou	菟丝肉
TCMH2149	Cuscuta australis	Tu Si Zi	菟丝子
TCMH557	Aster tataricus	Fan Hun Cao	返魂草
TCMH939	Aster tataricus	Huai Hun Cao	还魂草
TCMH1490	Aster tataricus	Mi Zi Wan	蜜紫菀
TCMH264	Laggera pterodonta	Chu Ling Dan	臭灵丹
TCMH986	Scutellaria baicalensis	Huang Qin	黄芩
TCMH989	Scutellaria baicalensis	Huang Qin Jin Gao	黄芩浸膏
TCMH990	Scutellaria baicalensis	Huang Qin Jin Gao Fen	黄芩浸膏粉
TCMH992	Scutellaria baicalensis	Huang Qin Tan	黄芩炭
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
TCMH1721	Panax ginseng	Ren Shen	人参
TCMH1728	Panax ginseng	Ren Shen Ye	人参叶
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
TCMH292	Notopterygium incisum	Chuan Qiang Huo	川羌活
TCMH188	Mentha haplocalyx	Bo He	薄荷
TCMH486	Syzygium aromaticum	Ding Xiang	丁香
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
TCMH147	Glehnia littoralis	Bei Sha Shen	北沙参

Ingredient ID: TCMC2030
Formula: C18H13N3O

Common Name	Rutaecarpine
IUPAC Name	n.a.
Canonical SMILES	O=c1c2ccccc2nc2n1CCc1c2[nH]c2c1cccc2
Standard InCHI	InChI=1S/C18H13N3O/c22-18-13-6-2-4-8-15(13)20-17-16-12(9-10-21(17)18)11-5-1-3-7-14(11)19-16/h1-8,19H,9-10H2
Standard InCHIKey	ACVGWSKVRYFWRP-UHFFFAOYSA-N
External Identifiers	ChEMBL [CHEMBL85139]; PubChem [65752];
Reference of Component-Ingredient Pair	23337743

Occurrence of the ingredient across TCM components

Component ID	Latin Name	Pinyin Name	Chinese Name
TCMH2374	Phellodendron amurense	Yan Guan Huang Bai	盐关黄柏
TCMH2216	Evodia rutaecarpa	Wu Zhu Yu	吴茱萸
TCMH717	Phellodendron amurense	Guan Huang Bai	关黄柏
TCMH949	Phellodendron amurense	Huang Bai	黄柏
TCMH950	Phellodendron amurense	Huang Bai Fen	黄柏粉
TCMH951	Phellodendron amurense	Huang Bai Tan	黄柏炭

Ingredient ID: TCMC1808
Formula: C9H13NO2

Common Name	Oxedrine
IUPAC Name	4-[1-hydroxy-2-(methylamino)ethyl]phenol
Canonical SMILES	CNCC(c1ccc(cc1)O)O
Standard InCHI	InChI=1S/C9H13NO2/c1-10-6-9(12)7-2-4-8(11)5-3-7/h2-5,9-12H,6H2,1H3
Standard InCHIKey	YRCWQPVGYLYSOX-UHFFFAOYSA-N
External Identifiers	ChEMBL [CHEMBL33720]; PubChem [7172];
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
TCMH2137	Pogostemon cablin	Tu Huo Xiang	土藿香
TCMH1486	Ephedra sinica	Mi Ma Huang	蜜麻黄
TCMH2216	Evodia rutaecarpa	Wu Zhu Yu	吴茱萸
TCMH1184	Citrus reticulata	Ju Pi	橘皮
TCMH2282	Citrus medica	Xiang Yuan Pi	香橼皮
TCMH2281	Citrus medica	Xiang Yuan	香橼
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
TCMH1178	Citrus reticulata	Ju He	橘核
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
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: TCMC1622
Formula: C19H17N3O

Common Name	n.a.
IUPAC Name	n.a.
Canonical SMILES	O=C1c2ccccc2N([C@H]2N1CCc1c2[nH]c2c1cccc2)C
Standard InCHI	InChI=1S/C19H17N3O/c1-21-16-9-5-3-7-14(16)19(23)22-11-10-13-12-6-2-4-8-15(12)20-17(13)18(21)22/h2-9,18,20H,10-11H2,1H3/t18-/m0/s1
Standard InCHIKey	TXDUTHBFYKGSAH-SFHVURJKSA-N
External Identifiers	ChEMBL [CHEMBL463165]; PubChem [442088];
Reference of Component-Ingredient Pair	27771931

Occurrence of the ingredient across TCM components

Component ID	Latin Name	Pinyin Name	Chinese Name
TCMH2374	Phellodendron amurense	Yan Guan Huang Bai	盐关黄柏
TCMH2216	Evodia rutaecarpa	Wu Zhu Yu	吴茱萸
TCMH717	Phellodendron amurense	Guan Huang Bai	关黄柏
TCMH949	Phellodendron amurense	Huang Bai	黄柏
TCMH950	Phellodendron amurense	Huang Bai Fen	黄柏粉
TCMH951	Phellodendron amurense	Huang Bai Tan	黄柏炭

Ingredient ID: TCMC1491
Formula: C26H30O8

Common Name	Limonin
IUPAC Name	n.a.
Canonical SMILES	O=C1OC[C@]23[C@H](C1)OC([C@@H]2CC(=O)[C@@]1([C@@H]3CC[C@@]2([C@]31O[C@@H]3C(=O)O[C@H]2c1cocc1)C)C)(C)C
Standard InCHI	InChI=1S/C26H30O8/c1-22(2)15-9-16(27)24(4)14(25(15)12-31-18(28)10-17(25)33-22)5-7-23(3)19(13-6-8-30-11-13)32-21(29)20-26(23,24)34-20/h6,8,11,14-15,17,19-20H,5,7,9-10,12H2,1-4H3/t14-,15-,17-,19-,20+,23-,24-,25+,26+/m0/s1
Standard InCHIKey	KBDSLGBFQAGHBE-MSGMIQHVSA-N
External Identifiers	ChEMBL [CHEMBL517449]; PubChem [179651];
Reference of Component-Ingredient Pair	22526296

Occurrence of the ingredient across TCM components

Component ID	Latin Name	Pinyin Name	Chinese Name
TCMH2630	Citrus aurantium	Zhi Shi	枳实
TCMH2580	Coptis chinensis	Ze Xi Huang Lian	择细黄连
TCMH2201	Securidaca inappendiculata	Wu Wei Teng	五味藤
TCMH1390	Poncirus trifoliata	Lv Yi Zhi Shi	绿衣枳实
TCMH2374	Phellodendron amurense	Yan Guan Huang Bai	盐关黄柏
TCMH1179	Citri exocarpium rubrum	Ju Hong	橘红
TCMH2216	Evodia rutaecarpa	Wu Zhu Yu	吴茱萸
TCMH1184	Citrus reticulata	Ju Pi	橘皮
TCMH2282	Citrus medica	Xiang Yuan Pi	香橼皮
TCMH2281	Citrus medica	Xiang Yuan	香橼
TCMH717	Phellodendron amurense	Guan Huang Bai	关黄柏
TCMH949	Phellodendron amurense	Huang Bai	黄柏
TCMH950	Phellodendron amurense	Huang Bai Fen	黄柏粉
TCMH951	Phellodendron amurense	Huang Bai Tan	黄柏炭
TCMH1178	Citrus reticulata	Ju He	橘核
TCMH283	Coptis chinensis	Chuan Huang Lian	川黄连
TCMH972	Coptis chinensis	Huang Lian	黄连
TCMH973	Coptis chinensis	Huang Lian Gan Jin Gao	黄连干浸膏
TCMH975	Coptis chinensis	Huang Lian Xu	黄连须
TCMH1064	Coptis chinensis	Jiang Huang Lian	姜黄连
TCMH1161	Coptis chinensis	Jiu Huang Lian	酒黄连
TCMH2330	Coptis chinensis	Xiong Huang Lian	雄黄连
TCMH2531	Coptis chinensis	Yu Huang Lian	萸黄连
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: TCMC1286
Formula: C15H10O8

Common Name	Gossypetin
IUPAC Name	2-(3,4-dihydroxyphenyl)-3,5,7,8-tetrahydroxychromen-4-one
Canonical SMILES	Oc1cc(ccc1O)c1oc2c(O)c(O)cc(c2c(=O)c1O)O
Standard InCHI	InChI=1S/C15H10O8/c16-6-2-1-5(3-7(6)17)14-13(22)12(21)10-8(18)4-9(19)11(20)15(10)23-14/h1-4,16-20,22H
Standard InCHIKey	YRRAGUMVDQQZIY-UHFFFAOYSA-N
External Identifiers	ChEMBL [CHEMBL253570]; PubChem [5280647];
Reference of Component-Ingredient Pair	21904564

Occurrence of the ingredient across TCM components

Component ID	Latin Name	Pinyin Name	Chinese Name
TCMH2595	Rhododendron micranthum	Zhao Shan Bai	照山白
TCMH2513	Rhododendron mucronulatum	Ying Shan Hong	映山红
TCMH1953	Pyrrosia lingua	Shi Wei	石韦
TCMH2216	Evodia rutaecarpa	Wu Zhu Yu	吴茱萸
TCMH1437	Rhododendron dauricum	Man Shan Hong	满山红

Ingredient ID: TCMC1166
Formula: C19H17N3O

Common Name	Evodiamine
IUPAC Name	n.a.
Canonical SMILES	O=C1c2ccccc2N([C@@H]2N1CCc1c2[nH]c2c1cccc2)C
Standard InCHI	InChI=1S/C19H17N3O/c1-21-16-9-5-3-7-14(16)19(23)22-11-10-13-12-6-2-4-8-15(12)20-17(13)18(21)22/h2-9,18,20H,10-11H2,1H3/t18-/m1/s1
Standard InCHIKey	TXDUTHBFYKGSAH-GOSISDBHSA-N
External Identifiers	ChEMBL [CHEMBL486598]; PubChem [6971167];
Reference of Component-Ingredient Pair	N/A

Occurrence of the ingredient across TCM components

Component ID	Latin Name	Pinyin Name	Chinese Name
TCMH2216	Evodia rutaecarpa	Wu Zhu Yu	吴茱萸

Properties

Ingredient ID	Formulae	Name	MW	AlogP	MlogP	XlogP	# HBA	# HBD	PSA	# Rotatable Bond	# Ring	# Heacy Atom	Lipinski RO5 Violation
TCMC284	C10H16	1-Methyl-4-Prop-1-En-2-Ylcyclohexene	136.13	2.1424	2.56	3.729	0	0	0	3	1	10	0
TCMC403	C20H29NO	2-Undecyl-1H-Quinolin-4-One	299.22	-3.055	3.44	7.659	2	1	29.1	11	2	22	1
TCMC421	C9H10O3	3,4-Dimethoxybenzaldehyde	166.06	-0.296	2.12	1.559	1	0	35.53	5	1	12	0
TCMC555	C13H18N2O	5-Meo-Dmt	218.14	0.0128	2.56	1.695	2	1	28.26	7	2	16	0
TCMC1166	C19H17N3O	Evodiamine	303.14	-0.5403	3.11	3.89	4	1	39.34	1	5	23	0
TCMC1286	C15H10O8	Gossypetin	318.04	-3.2615	2.23	0.847	2	6	147.68	7	3	23	1
TCMC1491	C26H30O8	Limonin	470.19	-0.4484	3.44	1.644	7	0	104.57	5	7	34	0
TCMC1622	C19H17N3O		303.14	-0.5403	3.11	3.89	4	1	39.34	1	5	23	0
TCMC1808	C9H13NO2	Oxedrine	167.09	-1.2775	2.12	0.464	2	3	52.49	6	1	12	0
TCMC2030	C18H13N3O	Rutaecarpine	287.11	-0.7533	3	3.951	4	1	48.46	0	5	22	0
TCMC2324	C10H16	Limonene	136.13	2.1424	2.56	3.729	0	0	0	3	1	10	0
TCMC2907	C10H9NO	Echinopsine	159.0684139	-1.1745	2.34	1.668	2	0	17.07	0	2	12	0
TCMC3300	C11H10N2O	1,2,3,4-Tetrahydro-1-Oxo-Β-Carboline	186.0793129	-0.788	2.34	2.131	3	2	44.89	0	3	14	0
TCMC3369	C19H17N3O2	Hydroxyevodiamine	319.1320768	-1.2296	3	4.256	5	2	65.2	3	4	24	0
TCMC3379	C8H10N2O	N-Methylanthranylamide	150.0793129	-0.9529	2.01	1.305	3	2	55.12	2	1	11	0
TCMC3689	C26H28O9	Evodol	484.1733325	-0.7398	3.33	1.088	8	1	124.8	1	7	35	0
TCMC3708	C19H21N3O	Evodiamide	307.1684623	-1.0038	3.11	4.252	4	2	48.13	6	3	23	0
TCMC4045	C22H33NO	2-Tridecyl-4(1H)-Quinolone	326.2483896	-3.0836	3.66	8.548	2	0	29.43	12	2	24	2
TCMC4422	C14H24O2	Goshuyic Acid	223.169805	-0.4743	2.78	5.108	2	0	40.13	10	0	16	1
TCMC4555	C23H33NO	Evocarpine	339.2562147	-1.3215	3.77	8.152	2	0	17.07	11	2	25	2
TCMC4561	C19H15N3O2	14-Formyldihydrorutaecarpine	317.1164267	-1.3595	3	3.443	5	1	56.41	1	5	24	0
TCMC4602	C19H19N3O	Goshuyuamide I	305.1528122	-1.0945	3.11	4.116	4	2	48.13	3	4	23	0
TCMC4603	C19H17N3O2	Goshuyuamideii	319.1320768	-1.6806	3	3.499	5	1	49.93	3	4	24	0
TCMC4744	C18H19N3O	N-(2-Methylaminobenzoyl)Tryptamine	293.1528122	-1.1061	3	4.11	4	3	56.92	6	3	22	0
TCMC4752	C22H33NO	1-Methyl-2-Dodecyl-4(1H)-Quinolone	327.2562147	-3.1645	3.66	8.099	2	0	17.07	11	2	24	2
TCMC4763	C25H35NO	1-Methyl-2-[(6Z,9Z)-6,9-Pentadecadienyl]-4(1H)-Quinolone	365.2718647	-0.5033	3.99	8.963	2	0	17.07	12	2	27	2
TCMC4764	C25H37NO	1-Methyl-2-[(Z)-6-Pentadecenyl]-4(1H)-Quinolone	367.2875148	-1.8975	3.99	9.29	2	0	17.07	13	2	27	2
TCMC4765	C25H37NO	1-Methyl-2-[(Z)-10-Pentadecenyl]-4(1H)-Quinolone	367.2875148	-1.8975	3.99	9.29	2	0	17.07	13	2	27	2
TCMC4766	C25H39NO	1-Methyl-2-Pentadecyl-4(1H)-Quinolone	369.3031649	-4.0285	3.99	9.806	2	0	17.07	14	2	27	2
TCMC4768	C23H33NO	1-Methyl-2-[(Z)-7-Tridecenyl]-4(1H)-Quinolone	339.2562147	-1.3215	3.77	8.152	2	0	17.07	11	2	25	2
TCMC4769	C23H31NO	1-Methyl-2-(4Z,7Z)-4,7-Tridecadienyl-4(1H)-Quinolinone	337.2405646	0.0727	3.77	7.825	2	0	17.07	10	2	25	1
TCMC4774	C21H29NO	1-Methyl-2-[(Z)-5-Undecenyl]-4(1H)-Quinolone	311.2249145	-0.7455	3.55	7.014	2	0	17.07	9	2	23	1
TCMC4775	C21H29NO	1-Methyl-2-[(Z)-6-Undecenyl]-4(1H)-Quinolone	311.2249145	-0.7455	3.55	7.014	2	0	17.07	9	2	23	1
TCMC4776	C21H31NO	1-Methyl-2-Undecyl-4(1H)-Quinolilone	313.2405646	-2.8765	3.55	7.53	2	0	17.07	10	2	23	1
TCMC4897	C23H35NO	2-Tridecyl-1-Methyl-4(1H)-Quinolone	341.2718647	-3.4525	3.77	8.668	2	0	17.07	12	2	25	2
TCMC4987	C10H16	Ocimene	136.1252005	3.0936	2.56	4.17	0	0	0	4	0	10	0
TCMC5232	C19H15N3O	Dehydroevodiamine	301.1215121	-0.9675	3.11	3.564	4	0	29.43	0	5	23	0
TCMC5246	C26H30O9	Evodinone	486.1889827	-1.211	3.33	1.503	8	1	124.8	1	7	35	0
TCMC5692	C16H16O6	Arachidoside	304.0946882	-2.0855	2.56	0.496	1	4	99.38	2	3	22	0
TCMC6061	C19H27NO	1-Methyl-2-Nonyl-4(1H)-Quinolone	285.2092645	-2.3005	3.33	6.392	2	0	17.07	8	2	21	1
TCMC6123	C26H28O10	12Α-Hydroxyevodol	500.1682471	-1.3129	3.22	-0.153	9	2	145.03	1	7	36	0
TCMC6984	C26H28O8	Jangomolide	468.1784179	0.0489	3.44	1.83	7	0	104.57	1	7	34	0
TCMC7252	C25H37NO	1-Methyl-2-[(Z)-9-Pentadecenyl]-4(1H)-Quinolone	367.2875148	-1.8975	3.99	9.29	2	0	17.07	13	2	27	2
TCMC7366	C28H32O10	Rutaevin Acetate	528.1995474	-0.8319	3.44	1.814	9	0	130.87	3	7	38	0

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: Evodia rutaecarpa 吴茱萸

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: TCMC7366

Occurrence of the ingredient across TCM components

Ingredient ID: TCMC7252

Occurrence of the ingredient across TCM components

Ingredient ID: TCMC6984

Occurrence of the ingredient across TCM components

Ingredient ID: TCMC6123

Occurrence of the ingredient across TCM components

Ingredient ID: TCMC6061

Occurrence of the ingredient across TCM components

Ingredient ID: TCMC5692

Occurrence of the ingredient across TCM components

Ingredient ID: TCMC555

Occurrence of the ingredient across TCM components

Ingredient ID: TCMC5246

Occurrence of the ingredient across TCM components

Ingredient ID: TCMC5232

Occurrence of the ingredient across TCM components

Ingredient ID: TCMC4987

Occurrence of the ingredient across TCM components

Ingredient ID: TCMC4897

Occurrence of the ingredient across TCM components

Ingredient ID: TCMC4776

Occurrence of the ingredient across TCM components

Ingredient ID: TCMC4775

Occurrence of the ingredient across TCM components

Ingredient ID: TCMC4774

Occurrence of the ingredient across TCM components

Ingredient ID: TCMC4769

Occurrence of the ingredient across TCM components

Ingredient ID: TCMC4768

Occurrence of the ingredient across TCM components

Ingredient ID: TCMC4766

Occurrence of the ingredient across TCM components

Ingredient ID: TCMC4765

Occurrence of the ingredient across TCM components

Ingredient ID: TCMC4764

Occurrence of the ingredient across TCM components

Ingredient ID: TCMC4763

Occurrence of the ingredient across TCM components

Ingredient ID: TCMC4752

Occurrence of the ingredient across TCM components

Ingredient ID: TCMC4744

Occurrence of the ingredient across TCM components

Ingredient ID: TCMC4603

Occurrence of the ingredient across TCM components

Ingredient ID: TCMC4602

Occurrence of the ingredient across TCM components

Ingredient ID: TCMC4561

Occurrence of the ingredient across TCM components

Ingredient ID: TCMC4555

Occurrence of the ingredient across TCM components

Ingredient ID: TCMC4422

Occurrence of the ingredient across TCM components

Ingredient ID: TCMC421

Occurrence of the ingredient across TCM components

Ingredient ID: TCMC4045

Occurrence of the ingredient across TCM components

Ingredient ID: TCMC403