Description of the Component
Component ID |
TCMH1920 |
Latin Name |
Acorus tatarinowii |
English Name |
Grassleaved sweetflag |
Chinese Pinyin Name |
Shi Chang Pu |
中文名 |
石菖蒲 |
TCM Properties |
Warm,Pungent,Bitter |
TCM Meridians |
Stomach,Heart |
Therapeutic Class English |
Mind opening |
Therapeutic Class Chinese |
开窍 |
Functions |
eliminate damp and phlegm, improve appetite, and restore consciousness and benefit the mentality |
Toxicity |
NA |
Geo-authentic habitats (道地产区) |
Sichuan Province,Chongqing |
Reference |
Chinese Pharmacopoeia (2015) |
Barcode ID |
ITSAI4409-14 |
Barcode Source |
BOLDSYSTEMS |
TCM Prescriptions with the Component
| Prescription ID | Prescription English Name | Prescription Chinese Name |
|---|---|---|
| TCMF1118 | Jie Yu An Shen Granules | 解郁安神颗粒 |
| TCMF1129 | Zhang Yan Ming Tablet | 障眼明片 |
| TCMF1361 | Anshen Buxin Pills, Sedative and Heart-Invigorating Pill | 安神补心丸 |
| TCMF19 | Shen Wu Jian Nao Capsule | 参乌健脑胶囊 |
| TCMF2258 | Anshen Buxin Pills | 安神补心丸 |
| TCMF254 | Tian Dan Tong Luo Tablet | 天丹通络片 |
| TCMF2931 | An Kang Xin Bao Pills | 安康心宝丸 |
| TCMF2940 | An Nao Niu Huang Tablets | 安脑牛黄片 |
| TCMF2954 | An Shen Yang Xin Pills | 安神养心丸 |
| TCMF2970 | Ba Xian You | 八仙油 |
Showing 1 to 10 of 160 entries
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 |
| TCMT107 | GRIK2 | Glutamate receptor ionotropic kainate 2 | Ion channel | Q13002 |
| TCMT108 | GRIA1 | Glutamate receptor ionotropic, AMPA 1 | Ion channel | P42261 |
| TCMT109 | GRIA2 | Glutamate receptor ionotropic, AMPA 2 | Ion channel | P42262 |
| TCMT11 | HIF1A | Hypoxia-inducible factor 1 alpha | Transcription factor | Q16665 |
| TCMT110 | GRIA4 | Glutamate receptor ionotropic, AMPA 4 | Ion channel | P48058 |
| TCMT111 | GRIK5 | Glutamate receptor ionotropic kainate 5 | Ion channel | Q16478 |
| TCMT112 | ADORA3 | Adenosine A3 receptor | GPCR | P0DMS8 |
| TCMT125 | GBA | Beta-glucocerebrosidase | Hydrolase | P04062 |
Showing 1 to 10 of 72 entries
Targeted Pathogenic Microbes by the Ingredient of Component
| Target ID | Target Name |
|---|---|
| TCMT1088 | Carbonic anhydrase |
| TCMT1176 | Streptococcus pneumoniae |
| TCMT1178 | Actinomyces viscosus |
| TCMT1209 | Staphylococcus haemolyticus |
| TCMT1210 | Streptococcus sobrinus |
| TCMT1211 | Fusobacterium nucleatum |
| TCMT1212 | Verticillium dahliae |
| TCMT1218 | Staphylococcus aureus |
| TCMT1221 | Human herpesvirus 4 |
| TCMT1223 | Staphylococcus epidermidis |
Showing 1 to 10 of 36 entries
Ingredient Structrues
Ingredient ID: TCMC994
Formula: C4H7NO4
Ingredient ID: TCMC994
| Common Name | D-Aspartate |
| IUPAC Name | (2R)-2-aminobutanedioic acid |
| Canonical SMILES | OC(=O)C[C@H](C(=O)O)N |
| Standard InCHI | InChI=1S/C4H7NO4/c5-2(4(8)9)1-3(6)7/h2H,1,5H2,(H,6,7)(H,8,9)/t2-/m1/s1 |
| Standard InCHIKey | CKLJMWTZIZZHCS-UWTATZPHSA-N |
| External Identifiers | ChEMBL [CHEMBL29757]; PubChem [83887]; |
| Reference of Component-Ingredient Pair | 22466305 |
Occurrence of the ingredient across TCM components
| Component ID | Latin Name | Pinyin Name | Chinese Name |
|---|---|---|---|
| TCMH1008 | Pogostemon cablin | Huo Xiang | 藿香 |
| TCMH1009 | Pogostemon cablin | Huo Xiang Ye | 藿香叶 |
| TCMH1090 | Brassica juncea | Jie Zi | 芥子 |
| TCMH1223 | Tussilago farfara | Kuan Dong Hua | 款冬花 |
| TCMH130 | Pinellia ternata | Ban Xia | 半夏 |
| TCMH131 | Pinellia ternata | Ban Xia Qu | 半夏曲 |
| TCMH1343 | Aloe vera | Lu Hui | 芦荟 |
| TCMH1483 | Tussilago farfara | Mi Kuan Dong Hua | 蜜款冬花 |
| TCMH1677 | Pinellia ternata | Qing Ban Xia | 清半夏 |
| TCMH1734 | Homo sapiens | Ren Zhong Bai | 人中白 |
Showing 1 to 10 of 24 entries
Ingredient ID: TCMC912
Formula: C15H10O4
Ingredient ID: TCMC912
| Common Name | Chrysophanol |
| IUPAC Name | 1,8-dihydroxy-3-methylanthracene-9,10-dione |
| Canonical SMILES | Cc1cc(O)c2c(c1)C(=O)c1c(C2=O)c(O)ccc1 |
| Standard InCHI | InChI=1S/C15H10O4/c1-7-5-9-13(11(17)6-7)15(19)12-8(14(9)18)3-2-4-10(12)16/h2-6,16-17H,1H3 |
| Standard InCHIKey | LQGUBLBATBMXHT-UHFFFAOYSA-N |
| External Identifiers | ChEMBL [CHEMBL41092]; PubChem [10208]; |
| Reference of Component-Ingredient Pair | 29045746 |
Occurrence of the ingredient across TCM components
| Component ID | Latin Name | Pinyin Name | Chinese Name |
|---|---|---|---|
| TCMH1199 | Cassia tora | Jue Ming Zi | 决明子 |
| TCMH130 | Pinellia ternata | Ban Xia | 半夏 |
| TCMH131 | Pinellia ternata | Ban Xia Qu | 半夏曲 |
| TCMH1343 | Aloe vera | Lu Hui | 芦荟 |
| TCMH1490 | Aster tataricus | Mi Zi Wan | 蜜紫菀 |
| TCMH1584 | Achyranthes bidentata | Niu Teng | 牛藤 |
| TCMH1588 | Achyranthes bidentata | Niu Xi | 牛膝 |
| TCMH1589 | Rumex patientia | Niu Xi Xi | 牛西西 |
| TCMH1677 | Pinellia ternata | Qing Ban Xia | 清半夏 |
| TCMH182 | Areca catechu | Bing Lang | 槟榔 |
Showing 1 to 10 of 34 entries
Ingredient ID: TCMC857
Formula: C10H16O
Ingredient ID: TCMC857
| Common Name | Camphor |
| IUPAC Name | (1R,4R)-4,7,7-trimethylbicyclo[2.2.1]heptan-3-one |
| Canonical SMILES | O=C1C[C@@H]2C([C@@]1(C)CC2)(C)C |
| Standard InCHI | InChI=1S/C10H16O/c1-9(2)7-4-5-10(9,3)8(11)6-7/h7H,4-6H2,1-3H3/t7-,10+/m1/s1 |
| Standard InCHIKey | DSSYKIVIOFKYAU-XCBNKYQSSA-N |
| External Identifiers | ChEMBL [CHEMBL504760]; PubChem [159055]; |
| Reference of Component-Ingredient Pair | 21162008 |
Occurrence of the ingredient across TCM components
| Component ID | Latin Name | Pinyin Name | Chinese Name |
|---|---|---|---|
| TCMH1000 | Foeniculum vulgare | Hui Xiang | 茴香 |
| TCMH1005 | Cannabis sativa | Huo Ma Ren | 火麻仁 |
| TCMH1063 | Curcuma longa | Jiang Huang | 姜黄 |
| TCMH1117 | Rhizoma fagopyri cymosi | Jin Qiao Mai | 金荞麦 |
| TCMH1178 | Citrus reticulata | Ju He | 橘核 |
| TCMH1184 | Citrus reticulata | Ju Pi | 橘皮 |
| TCMH12 | Artemisia argyi | Ai Ye | 艾叶 |
| TCMH1272 | Forsythia suspensa | Lian Qiao | 连翘 |
| TCMH13 | Artemisia argyi | Ai Ye You | 艾叶油 |
| TCMH132 | Scutellaria barbata | Ban Zhi Lian | 半枝莲 |
Showing 1 to 10 of 54 entries
Ingredient ID: TCMC817
Formula: C16H22O4
Ingredient ID: TCMC817
| Common Name | Bis(2-Methylpropyl) Benzene-1,2-Dicarboxylate |
| IUPAC Name | bis(2-methylpropyl) benzene-1,2-dicarboxylate |
| Canonical SMILES | CC(COC(=O)c1ccccc1C(=O)OCC(C)C)C |
| Standard InCHI | InChI=1S/C16H22O4/c1-11(2)9-19-15(17)13-7-5-6-8-14(13)16(18)20-10-12(3)4/h5-8,11-12H,9-10H2,1-4H3 |
| Standard InCHIKey | MGWAVDBGNNKXQV-UHFFFAOYSA-N |
| External Identifiers | ChEMBL [CHEMBL1370662]; PubChem [6782]; |
| Reference of Component-Ingredient Pair | 29061543 |
Occurrence of the ingredient across TCM components
| Component ID | Latin Name | Pinyin Name | Chinese Name |
|---|---|---|---|
| TCMH1008 | Pogostemon cablin | Huo Xiang | 藿香 |
| TCMH1009 | Pogostemon cablin | Huo Xiang Ye | 藿香叶 |
| TCMH1029 | Paederia scandens | Ji Shi Teng | 鸡矢藤 |
| TCMH1126 | Craibiodendron yunnanese | Jin Ye Zi | 金叶子 |
| TCMH1127 | Lonicera japonica | Jin Yin Hua | 金银花 |
| TCMH1128 | Lonicera japonica | Jin Yin Hua Ti Qu Ye | 金银花提取液 |
| TCMH1175 | Cornus officinalis | Jiu Yu Rou | 酒萸肉 |
| TCMH1178 | Citrus reticulata | Ju He | 橘核 |
| TCMH1184 | Citrus reticulata | Ju Pi | 橘皮 |
| TCMH1211 | Melia azedarach | Ku Lian Pi | 苦楝皮 |
Showing 1 to 10 of 57 entries
Ingredient ID: TCMC735
Formula: C12H16O4
Ingredient ID: TCMC735
| Common Name | Aspidinol-B |
| IUPAC Name | 1-(2,6-dihydroxy-4-methoxy-3-methylphenyl)butan-1-one |
| Canonical SMILES | CCCC(=O)c1c(O)cc(c(c1O)C)OC |
| Standard InCHI | InChI=1S/C12H16O4/c1-4-5-8(13)11-9(14)6-10(16-3)7(2)12(11)15/h6,14-15H,4-5H2,1-3H3 |
| Standard InCHIKey | GJRJTYFSORWKBE-UHFFFAOYSA-N |
| External Identifiers | ChEMBL [CHEMBL214690]; PubChem [122841]; |
| Reference of Component-Ingredient Pair | N/A |
Occurrence of the ingredient across TCM components
| Component ID | Latin Name | Pinyin Name | Chinese Name |
|---|---|---|---|
| TCMH1920 | Acorus tatarinowii | Shi Chang Pu | 石菖蒲 |
| TCMH1922 | Acorus tatarinowii | Shi Chang Pu Jin Gao | 石菖蒲浸膏 |
| TCMH1923 | Acorus tatarinowii | Shi Chang Pu Qing Gao | 石菖蒲清膏 |
| TCMH203 | Acorus calamus | Cang Chang Pu | 藏菖蒲 |
| TCMH719 | Dryopteris crassirhizoma | Guan Zhong | 贯众 |
Showing 1 to 5 of 5 entries
Ingredient ID: TCMC734
Formula: C4H7NO4
Ingredient ID: TCMC734
| Common Name | Aspartic Acid |
| IUPAC Name | (2S)-2-aminobutanedioic acid |
| Canonical SMILES | OC(=O)C[C@@H](C(=O)O)N |
| Standard InCHI | InChI=1S/C4H7NO4/c5-2(4(8)9)1-3(6)7/h2H,1,5H2,(H,6,7)(H,8,9)/t2-/m0/s1 |
| Standard InCHIKey | CKLJMWTZIZZHCS-REOHCLBHSA-N |
| External Identifiers | ChEMBL [CHEMBL274323]; PubChem [5960]; |
| Reference of Component-Ingredient Pair | N/A |
Occurrence of the ingredient across TCM components
| Component ID | Latin Name | Pinyin Name | Chinese Name |
|---|---|---|---|
| TCMH1008 | Pogostemon cablin | Huo Xiang | 藿香 |
| TCMH1009 | Pogostemon cablin | Huo Xiang Ye | 藿香叶 |
| TCMH1090 | Brassica juncea | Jie Zi | 芥子 |
| TCMH1175 | Cornus officinalis | Jiu Yu Rou | 酒萸肉 |
| TCMH1223 | Tussilago farfara | Kuan Dong Hua | 款冬花 |
| TCMH1343 | Aloe vera | Lu Hui | 芦荟 |
| TCMH1483 | Tussilago farfara | Mi Kuan Dong Hua | 蜜款冬花 |
| TCMH1734 | Homo sapiens | Ren Zhong Bai | 人中白 |
| TCMH1862 | Cornus officinalis | Shan Zhu Yu | 山茱萸 |
| TCMH1920 | Acorus tatarinowii | Shi Chang Pu | 石菖蒲 |
Showing 1 to 10 of 25 entries
Ingredient ID: TCMC729
Formula: C10H12O4
Ingredient ID: TCMC729
| Common Name | Asaraldehyde |
| IUPAC Name | 2,4,5-trimethoxybenzaldehyde |
| Canonical SMILES | COc1cc(C=O)c(cc1OC)OC |
| Standard InCHI | InChI=1S/C10H12O4/c1-12-8-5-10(14-3)9(13-2)4-7(8)6-11/h4-6H,1-3H3 |
| Standard InCHIKey | IAJBQAYHSQIQRE-UHFFFAOYSA-N |
| External Identifiers | ChEMBL [CHEMBL1164301]; PubChem [20525]; |
| Reference of Component-Ingredient Pair | 24010893 |
Occurrence of the ingredient across TCM components
| Component ID | Latin Name | Pinyin Name | Chinese Name |
|---|---|---|---|
| TCMH1562 | Arctium lappa | Niu Bang Zi | 牛蒡子 |
| TCMH160 | Piper cubeba | Bi Cheng Qie | 毕澄茄 |
| TCMH1920 | Acorus tatarinowii | Shi Chang Pu | 石菖蒲 |
| TCMH1922 | Acorus tatarinowii | Shi Chang Pu Jin Gao | 石菖蒲浸膏 |
| TCMH1923 | Acorus tatarinowii | Shi Chang Pu Qing Gao | 石菖蒲清膏 |
| TCMH203 | Acorus calamus | Cang Chang Pu | 藏菖蒲 |
| TCMH587 | Piper kadsura | Feng Teng | 风藤 |
| TCMH776 | Piper kadsura | Hai Feng Teng | 海风藤 |
Showing 1 to 8 of 8 entries
Ingredient ID: TCMC671
Formula: C10H16
Ingredient ID: TCMC671
| Common Name | Alpha-Pinene |
| IUPAC Name | 4,6,6-trimethylbicyclo[3.1.1]hept-3-ene |
| Canonical SMILES | CC1=CCC2CC1C2(C)C |
| Standard InCHI | InChI=1S/C10H16/c1-7-4-5-8-6-9(7)10(8,2)3/h4,8-9H,5-6H2,1-3H3 |
| Standard InCHIKey | GRWFGVWFFZKLTI-UHFFFAOYSA-N |
| External Identifiers | ChEMBL [CHEMBL442565]; PubChem [6654]; |
| Reference of Component-Ingredient Pair | 29191726 |
Occurrence of the ingredient across TCM components
| Component ID | Latin Name | Pinyin Name | Chinese Name |
|---|---|---|---|
| TCMH1000 | Foeniculum vulgare | Hui Xiang | 茴香 |
| TCMH1063 | Curcuma longa | Jiang Huang | 姜黄 |
| TCMH1165 | Murraya paniculata | Jiu Li Xiang | 九里香 |
| TCMH1178 | Citrus reticulata | Ju He | 橘核 |
| TCMH1184 | Citrus reticulata | Ju Pi | 橘皮 |
| TCMH12 | Artemisia argyi | Ai Ye | 艾叶 |
| TCMH122 | Lobelia chinensis | Ban Bian Lian | 半边莲 |
| TCMH1225 | Valeriana officinalis | Kuan Ye Xie Cao | 宽叶缬草 |
| TCMH1272 | Forsythia suspensa | Lian Qiao | 连翘 |
| TCMH13 | Artemisia argyi | Ai Ye You | 艾叶油 |
Showing 1 to 10 of 101 entries
Ingredient ID: TCMC553
Formula: C6H6O3
Ingredient ID: TCMC553
| Common Name | 5-Hydroxymethyl-Furfural |
| IUPAC Name | 5-(hydroxymethyl)furan-2-carbaldehyde |
| Canonical SMILES | OCc1ccc(o1)C=O |
| Standard InCHI | InChI=1S/C6H6O3/c7-3-5-1-2-6(4-8)9-5/h1-3,8H,4H2 |
| Standard InCHIKey | NOEGNKMFWQHSLB-UHFFFAOYSA-N |
| External Identifiers | ChEMBL [CHEMBL185885]; PubChem [237332]; |
| Reference of Component-Ingredient Pair | 22953879 |
Occurrence of the ingredient across TCM components
| Component ID | Latin Name | Pinyin Name | Chinese Name |
|---|---|---|---|
| TCMH1008 | Pogostemon cablin | Huo Xiang | 藿香 |
| TCMH1009 | Pogostemon cablin | Huo Xiang Ye | 藿香叶 |
| TCMH1160 | Polygonatum sibiricum | Jiu Huang Jing | 酒黄精 |
| TCMH1175 | Cornus officinalis | Jiu Yu Rou | 酒萸肉 |
| TCMH1178 | Citrus reticulata | Ju He | 橘核 |
| TCMH1179 | Citri exocarpium rubrum | Ju Hong | 橘红 |
| TCMH1184 | Citrus reticulata | Ju Pi | 橘皮 |
| TCMH1185 | Lycium chinense | Gou Qi | 枸杞 |
| TCMH1186 | Lycium chinense | Gou Qi Zi | 枸杞子 |
| TCMH122 | Lobelia chinensis | Ban Bian Lian | 半边莲 |
Showing 1 to 10 of 90 entries
Ingredient ID: TCMC527
Formula: C27H30O15
Ingredient ID: TCMC527
| Common Name | 5,7-Dihydroxy-2-(4-Hydroxyphenyl)-3-[3,4,5-Trihydroxy-6-[(3,4,5-Trihydroxy-6-Methyloxan-2-Yl)Oxymethyl]Oxan-2-Yl]Oxychromen-4-One |
| IUPAC Name | 5,7-dihydroxy-2-(4-hydroxyphenyl)-3-[3,4,5-trihydroxy-6-[(3,4,5-trihydroxy-6-methyloxan-2-yl)oxymethyl]oxan-2-yl]oxychromen-4-one |
| Canonical SMILES | Oc1ccc(cc1)c1oc2cc(O)cc(c2c(=O)c1OC1OC(COC2OC(C)C(C(C2O)O)O)C(C(C1O)O)O)O |
| Standard InCHI | InChI=1S/C27H30O15/c1-9-17(31)20(34)22(36)26(39-9)38-8-15-18(32)21(35)23(37)27(41-15)42-25-19(33)16-13(30)6-12(29)7-14(16)40-24(25)10-2-4-11(28)5-3-10/h2-7,9,15,17-18,20-23,26-32,34-37H,8H2,1H3 |
| Standard InCHIKey | RTATXGUCZHCSNG-UHFFFAOYSA-N |
| External Identifiers | ChEMBL [CHEMBL1419228]; PubChem [12313332]; |
| Reference of Component-Ingredient Pair | N/A |
Occurrence of the ingredient across TCM components
| Component ID | Latin Name | Pinyin Name | Chinese Name |
|---|---|---|---|
| TCMH1000 | Foeniculum vulgare | Hui Xiang | 茴香 |
| TCMH101 | Chelidonium majus | Bai Qu Cai | 白屈菜 |
| TCMH1127 | Lonicera japonica | Jin Yin Hua | 金银花 |
| TCMH1128 | Lonicera japonica | Jin Yin Hua Ti Qu Ye | 金银花提取液 |
| TCMH1185 | Lycium chinense | Gou Qi | 枸杞 |
| TCMH1186 | Lycium chinense | Gou Qi Zi | 枸杞子 |
| TCMH1466 | Rosa rugosa | Mei Gui Hua | 玫瑰花 |
| TCMH1714 | Lonicera japonica | Ren Dong Teng | 忍冬藤 |
| TCMH1792 | Morus alba | Sang Pi | 桑皮 |
| TCMH1797 | Morus alba | Sang Ye | 桑叶 |
Showing 1 to 10 of 24 entries
Ingredient ID: TCMC5130
Formula: C15H24
Ingredient ID: TCMC5130
| Common Name | Β-Gurjunene |
| IUPAC Name | (1aR,4R,4aR,7aR,7bR)-1,1,4-trimethyl-7-methylidene-2,3,4,4a,5,6,7a,7b-octahydro-1aH-cyclopropa[e]azulene |
| Canonical SMILES | C[C@@H]1CC[C@@H]2[C@H]([C@H]3[C@@H]1CCC3=C)C2(C)C |
| Standard InCHI | InChI=1S/C15H24/c1-9-6-8-12-14(15(12,3)4)13-10(2)5-7-11(9)13/h9,11-14H,2,5-8H2,1,3-4H3/t9-,11-,12-,13-,14-/m1/s1 |
| Standard InCHIKey | IRCZVRWQUNZGSH-DKTYCGPESA-N |
| External Identifiers | ChEMBL [N/A]; PubChem [6450812]; |
| Reference of Component-Ingredient Pair | 8011122 |
Occurrence of the ingredient across TCM components
Ingredient ID: TCMC495
Formula: C7H6O2
Ingredient ID: TCMC495
| Common Name | 4-Hydroxybenzaldehyde |
| IUPAC Name | 4-hydroxybenzaldehyde |
| Canonical SMILES | O=Cc1ccc(cc1)O |
| Standard InCHI | InChI=1S/C7H6O2/c8-5-6-1-3-7(9)4-2-6/h1-5,9H |
| Standard InCHIKey | RGHHSNMVTDWUBI-UHFFFAOYSA-N |
| External Identifiers | ChEMBL [CHEMBL14193]; PubChem [126]; |
| Reference of Component-Ingredient Pair | 23266278 |
Occurrence of the ingredient across TCM components
| Component ID | Latin Name | Pinyin Name | Chinese Name |
|---|---|---|---|
| TCMH1086 | Sambucus williamsii | Jie Gu Mu | 接骨木 |
| TCMH1117 | Rhizoma fagopyri cymosi | Jin Qiao Mai | 金荞麦 |
| TCMH1127 | Lonicera japonica | Jin Yin Hua | 金银花 |
| TCMH1128 | Lonicera japonica | Jin Yin Hua Ti Qu Ye | 金银花提取液 |
| TCMH123 | Pteris semipinnata | Ban Bian Qi | 半边旗 |
| TCMH1305 | Laggera alata | Liu Ling Ju | 六棱菊 |
| TCMH132 | Scutellaria barbata | Ban Zhi Lian | 半枝莲 |
| TCMH1339 | Phragmites communis | Lu Gen | 芦根 |
| TCMH143 | Albizia julibrissin | Bei He Huan | 北合欢 |
| TCMH1489 | Papaver somniferum | Mi Ying Su Ke | 蜜罂粟壳 |
Showing 1 to 10 of 50 entries
Ingredient ID: TCMC473
Formula: C10H16O
Ingredient ID: TCMC473
| Common Name | 4,7,7-Trimethylbicyclo[2.2.1]Heptan-3-One |
| IUPAC Name | 4,7,7-trimethylbicyclo[2.2.1]heptan-3-one |
| Canonical SMILES | O=C1CC2C(C1(C)CC2)(C)C |
| Standard InCHI | InChI=1S/C10H16O/c1-9(2)7-4-5-10(9,3)8(11)6-7/h7H,4-6H2,1-3H3 |
| Standard InCHIKey | DSSYKIVIOFKYAU-UHFFFAOYSA-N |
| External Identifiers | ChEMBL [CHEMBL15768]; PubChem [2537]; |
| Reference of Component-Ingredient Pair | 25636489 |
Occurrence of the ingredient across TCM components
| Component ID | Latin Name | Pinyin Name | Chinese Name |
|---|---|---|---|
| TCMH1000 | Foeniculum vulgare | Hui Xiang | 茴香 |
| TCMH1063 | Curcuma longa | Jiang Huang | 姜黄 |
| TCMH1178 | Citrus reticulata | Ju He | 橘核 |
| TCMH1184 | Citrus reticulata | Ju Pi | 橘皮 |
| TCMH12 | Artemisia argyi | Ai Ye | 艾叶 |
| TCMH1272 | Forsythia suspensa | Lian Qiao | 连翘 |
| TCMH13 | Artemisia argyi | Ai Ye You | 艾叶油 |
| TCMH132 | Scutellaria barbata | Ban Zhi Lian | 半枝莲 |
| TCMH1343 | Aloe vera | Lu Hui | 芦荟 |
| TCMH1393 | Verbena officinalis | Ma Bian Cao | 马鞭草 |
Showing 1 to 10 of 54 entries
Ingredient ID: TCMC4336
Formula: C15H24
Ingredient ID: TCMC4336
| Common Name | (1R,9S)-4,11,11-Trimethyl-8-Methylenebicyclo[7.2.0]Undec-4-Ene,Caryophellene,Β-Caryophyllene |
| IUPAC Name | (1R,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-GFUGXAQUSA-N |
| External Identifiers | ChEMBL [CHEMBL445740]; PubChem [5281515]; |
| Reference of Component-Ingredient Pair | 22945026 |
Occurrence of the ingredient across TCM components
| Component ID | Latin Name | Pinyin Name | Chinese Name |
|---|---|---|---|
| TCMH1141 | Schizonepeta tenuifolia | Jing Jie | 荆芥 |
| TCMH1165 | Murraya paniculata | Jiu Li Xiang | 九里香 |
| TCMH12 | Artemisia argyi | Ai Ye | 艾叶 |
| TCMH1437 | Rhododendron dauricum | Man Shan Hong | 满山红 |
| TCMH144 | Herba artemisiae anomalae | Bei Liu Ji Nu | 北刘寄奴 |
| TCMH1681 | Artemisia carvifolia | Qing Hao | 青蒿 |
| TCMH1721 | Panax ginseng | Ren Shen | 人参 |
| TCMH1768 | Panax notoginseng | San Qi | 三七 |
| TCMH1803 | Amomum villosum | Sha Ren | 砂仁 |
| TCMH183 | Dryobalanops aromatica | Bing Pian | 冰片 |
Showing 1 to 10 of 25 entries
Ingredient ID: TCMC4146
Formula: C12H16O4
Ingredient ID: TCMC4146
| Common Name | Isoacoramone |
| IUPAC Name | 1-(2,4,5-trimethoxyphenyl)propan-1-one |
| Canonical SMILES | COc1cc(C(=O)CC)c(cc1OC)OC |
| Standard InCHI | InChI=1S/C12H16O4/c1-5-9(13)8-6-11(15-3)12(16-4)7-10(8)14-2/h6-7H,5H2,1-4H3 |
| Standard InCHIKey | KUQHFNICKXWOBZ-UHFFFAOYSA-N |
| External Identifiers | ChEMBL [CHEMBL1164266]; PubChem [700861]; |
| Reference of Component-Ingredient Pair | 15143831 |
Occurrence of the ingredient across TCM components
Ingredient ID: TCMC4075
Formula: C12H16O3
Ingredient ID: TCMC4075
| Common Name | 1-Allyl-2,4,5-Trimethoxy-Benzene,Γ-Asarone |
| IUPAC Name | 1,2,4-trimethoxy-5-prop-2-enylbenzene |
| Canonical SMILES | C=CCc1cc(OC)c(cc1OC)OC |
| Standard InCHI | InChI=1S/C12H16O3/c1-5-6-9-7-11(14-3)12(15-4)8-10(9)13-2/h5,7-8H,1,6H2,2-4H3 |
| Standard InCHIKey | AUNAUZZQBAIQFJ-UHFFFAOYSA-N |
| External Identifiers | ChEMBL [N/A]; PubChem [636750]; |
| Reference of Component-Ingredient Pair | 17114817 |
Occurrence of the ingredient across TCM components
Ingredient ID: TCMC3742
Formula: C15H26O
Ingredient ID: TCMC3742
| Common Name | Guaiol |
| IUPAC Name | 2-[(3S,5R,8S)-3,8-dimethyl-1,2,3,4,5,6,7,8-octahydroazulen-5-yl]propan-2-ol |
| Canonical SMILES | C[C@H]1CC[C@H](CC2=C1CC[C@@H]2C)C(O)(C)C |
| Standard InCHI | InChI=1S/C15H26O/c1-10-5-7-12(15(3,4)16)9-14-11(2)6-8-13(10)14/h10-12,16H,5-9H2,1-4H3/t10-,11-,12+/m0/s1 |
| Standard InCHIKey | TWVJWDMOZJXUID-SDDRHHMPSA-N |
| External Identifiers | ChEMBL [CHEMBL226915]; PubChem [227829]; |
| Reference of Component-Ingredient Pair | 22422531 |
Occurrence of the ingredient across TCM components
| Component ID | Latin Name | Pinyin Name | Chinese Name |
|---|---|---|---|
| TCMH1423 | Ophiopogon japonicus | Mai Dong | 麦冬 |
| TCMH144 | Herba artemisiae anomalae | Bei Liu Ji Nu | 北刘寄奴 |
| TCMH1665 | Notopterygium incisum | Qiang Huo | 羌活 |
| TCMH1803 | Amomum villosum | Sha Ren | 砂仁 |
| TCMH1920 | Acorus tatarinowii | Shi Chang Pu | 石菖蒲 |
| TCMH211 | Atractylodes lancea | Cang Zhu | 苍术 |
| TCMH517 | Angelica pubescens | Du Huo | 独活 |
Showing 1 to 7 of 7 entries
Ingredient ID: TCMC3337
Formula: C15H24
Ingredient ID: TCMC3337
| Common Name | Β-Cubebene |
| IUPAC Name | (1R,5S,6R,7S,10R)-10-methyl-4-methylidene-7-propan-2-yltricyclo[4.4.0.01,5]decane |
| Canonical SMILES | CC([C@@H]1CC[C@H]([C@]23[C@H]1[C@H]2C(=C)CC3)C)C |
| Standard InCHI | InChI=1S/C15H24/c1-9(2)12-6-5-11(4)15-8-7-10(3)13(15)14(12)15/h9,11-14H,3,5-8H2,1-2,4H3/t11-,12+,13-,14-,15+/m1/s1 |
| Standard InCHIKey | FSRZGYRCMPZNJF-KHMAMNHCSA-N |
| External Identifiers | ChEMBL [N/A]; PubChem [93081]; |
| Reference of Component-Ingredient Pair | 19911576 |
Occurrence of the ingredient across TCM components
Ingredient ID: TCMC3296
Formula: C15H24
Ingredient ID: TCMC3296
| Common Name | Α-Cubebene |
| IUPAC Name | 4,10-dimethyl-7-propan-2-yltricyclo[4.4.0.01,5]dec-3-ene |
| Canonical SMILES | CC(C1CCC(C23C1C2C(=CC3)C)C)C |
| Standard InCHI | InChI=1S/C15H24/c1-9(2)12-6-5-11(4)15-8-7-10(3)13(15)14(12)15/h7,9,11-14H,5-6,8H2,1-4H3 |
| Standard InCHIKey | XUEHVOLRMXNRKQ-UHFFFAOYSA-N |
| External Identifiers | ChEMBL [N/A]; PubChem [86609]; |
| Reference of Component-Ingredient Pair | 21121273 |
Occurrence of the ingredient across TCM components
Ingredient ID: TCMC322
Formula: C12H16O4
Ingredient ID: TCMC322
| Common Name | 2,4,5-Trimethoxyphenylacetone |
| IUPAC Name | 1-(2,4,5-trimethoxyphenyl)propan-2-one |
| Canonical SMILES | COc1cc(OC)c(cc1CC(=O)C)OC |
| Standard InCHI | InChI=1S/C12H16O4/c1-8(13)5-9-6-11(15-3)12(16-4)7-10(9)14-2/h6-7H,5H2,1-4H3 |
| Standard InCHIKey | AQZHZTTUVYQMIN-UHFFFAOYSA-N |
| External Identifiers | ChEMBL [CHEMBL481233]; PubChem [3083746]; |
| Reference of Component-Ingredient Pair | N/A |
Occurrence of the ingredient across TCM components
| Component ID | Latin Name | Pinyin Name | Chinese Name |
|---|---|---|---|
| TCMH160 | Piper cubeba | Bi Cheng Qie | 毕澄茄 |
| TCMH1920 | Acorus tatarinowii | Shi Chang Pu | 石菖蒲 |
| TCMH1922 | Acorus tatarinowii | Shi Chang Pu Jin Gao | 石菖蒲浸膏 |
| TCMH1923 | Acorus tatarinowii | Shi Chang Pu Qing Gao | 石菖蒲清膏 |
| TCMH203 | Acorus calamus | Cang Chang Pu | 藏菖蒲 |
| TCMH237 | Acorus calamus | Chang Pu | 菖蒲 |
Showing 1 to 6 of 6 entries
Ingredient ID: TCMC304
Formula: C10H18O
Ingredient ID: TCMC304
| Common Name | 2-(4-Methylcyclohex-3-En-1-Yl)Propan-2-Ol |
| IUPAC Name | 2-(4-methylcyclohex-3-en-1-yl)propan-2-ol |
| Canonical SMILES | CC1=CCC(CC1)C(O)(C)C |
| Standard InCHI | InChI=1S/C10H18O/c1-8-4-6-9(7-5-8)10(2,3)11/h4,9,11H,5-7H2,1-3H3 |
| Standard InCHIKey | WUOACPNHFRMFPN-UHFFFAOYSA-N |
| External Identifiers | ChEMBL [CHEMBL449810]; PubChem [17100]; |
| Reference of Component-Ingredient Pair | 26795242 |
Occurrence of the ingredient across TCM components
| Component ID | Latin Name | Pinyin Name | Chinese Name |
|---|---|---|---|
| TCMH1063 | Curcuma longa | Jiang Huang | 姜黄 |
| TCMH1064 | Coptis chinensis | Jiang Huang Lian | 姜黄连 |
| TCMH108 | Perilla frutescens | Bai Su Zi | 白苏子 |
| TCMH1127 | Lonicera japonica | Jin Yin Hua | 金银花 |
| TCMH1128 | Lonicera japonica | Jin Yin Hua Ti Qu Ye | 金银花提取液 |
| TCMH1161 | Coptis chinensis | Jiu Huang Lian | 酒黄连 |
| TCMH1165 | Murraya paniculata | Jiu Li Xiang | 九里香 |
| TCMH1178 | Citrus reticulata | Ju He | 橘核 |
| TCMH1184 | Citrus reticulata | Ju Pi | 橘皮 |
| TCMH12 | Artemisia argyi | Ai Ye | 艾叶 |
Showing 1 to 10 of 129 entries
Ingredient ID: TCMC2994
Formula: C12H16O3
Ingredient ID: TCMC2994
| 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 |
|---|---|---|---|
| TCMH1741 | Myristica fragrans | Rou Dou Kou | 肉豆蔻 |
| TCMH1862 | Cornus officinalis | Shan Zhu Yu | 山茱萸 |
| TCMH1920 | Acorus tatarinowii | Shi Chang Pu | 石菖蒲 |
| TCMH2239 | Asarum sieboldii | Xi Xin | 细辛 |
| TCMH2722 | Perilla frutescens var. arguta | Zi Su Ye | 紫苏叶 |
| TCMH512 | Fructus amomi rotundus | Dou Kou | 豆蔻 |
| TCMH776 | Piper kadsura | Hai Feng Teng | 海风藤 |
| TCMH925 | Exocarpium citri grandis | Hua Ju Hong | 化橘红 |
Showing 1 to 8 of 8 entries
Ingredient ID: TCMC2920
Formula: C11H14O2
Ingredient ID: TCMC2920
| Common Name | 4-Propenyl Veratrole,Methyl Isoeugenol |
| IUPAC Name | 1,2-dimethoxy-4-prop-1-enylbenzene |
| Canonical SMILES | CC=Cc1ccc(c(c1)OC)OC |
| Standard InCHI | InChI=1S/C11H14O2/c1-4-5-9-6-7-10(12-2)11(8-9)13-3/h4-8H,1-3H3 |
| Standard InCHIKey | NNWHUJCUHAELCL-UHFFFAOYSA-N |
| External Identifiers | ChEMBL [N/A]; PubChem [7128]; |
| Reference of Component-Ingredient Pair | 16233496 |
Occurrence of the ingredient across TCM components
Ingredient ID: TCMC2822
Formula: C15H24
Ingredient ID: TCMC2822
| Common Name | Alpha-Humulone |
| IUPAC Name | (1E,4E,8E)-2,6,6,9-tetramethylcycloundeca-1,4,8-triene |
| Canonical SMILES | C/C/1=CCC(C)(C)/C=C/C/C(=C/CC1)/C |
| Standard InCHI | InChI=1S/C15H24/c1-13-7-5-8-14(2)10-12-15(3,4)11-6-9-13/h6-7,10-11H,5,8-9,12H2,1-4H3/b11-6+,13-7+,14-10+ |
| Standard InCHIKey | FAMPSKZZVDUYOS-HRGUGZIWSA-N |
| External Identifiers | ChEMBL [CHEMBL251280]; PubChem [5281520]; |
| Reference of Component-Ingredient Pair | 29248443 |
Occurrence of the ingredient across TCM components
| Component ID | Latin Name | Pinyin Name | Chinese Name |
|---|---|---|---|
| TCMH1000 | Foeniculum vulgare | Hui Xiang | 茴香 |
| TCMH1005 | Cannabis sativa | Huo Ma Ren | 火麻仁 |
| TCMH1008 | Pogostemon cablin | Huo Xiang | 藿香 |
| TCMH1009 | Pogostemon cablin | Huo Xiang Ye | 藿香叶 |
| TCMH1033 | Centella asiatica | Ji Xue Cao | 积雪草 |
| TCMH1063 | Curcuma longa | Jiang Huang | 姜黄 |
| TCMH108 | Perilla frutescens | Bai Su Zi | 白苏子 |
| TCMH1142 | Schizonepetae spica | Jing Jie Sui | 荆芥穗 |
| TCMH1144 | Schizonepetae herba | Jing Jie Tan | 荆芥炭 |
| TCMH1165 | Murraya paniculata | Jiu Li Xiang | 九里香 |
Showing 1 to 10 of 111 entries
Ingredient ID: TCMC2698
Formula: C11H14O2
Ingredient ID: TCMC2698
| Common Name | Methylisoeugenol |
| IUPAC Name | 1,2-dimethoxy-4-[(E)-prop-1-enyl]benzene |
| Canonical SMILES | C/C=C/c1ccc(c(c1)OC)OC |
| Standard InCHI | InChI=1S/C11H14O2/c1-4-5-9-6-7-10(12-2)11(8-9)13-3/h4-8H,1-3H3/b5-4+ |
| Standard InCHIKey | NNWHUJCUHAELCL-SNAWJCMRSA-N |
| External Identifiers | ChEMBL [CHEMBL465829]; PubChem [637776]; |
| Reference of Component-Ingredient Pair | 17048680 |
Occurrence of the ingredient across TCM components
| Component ID | Latin Name | Pinyin Name | Chinese Name |
|---|---|---|---|
| TCMH1741 | Myristica fragrans | Rou Dou Kou | 肉豆蔻 |
| TCMH1920 | Acorus tatarinowii | Shi Chang Pu | 石菖蒲 |
| TCMH1922 | Acorus tatarinowii | Shi Chang Pu Jin Gao | 石菖蒲浸膏 |
| TCMH1923 | Acorus tatarinowii | Shi Chang Pu Qing Gao | 石菖蒲清膏 |
| TCMH203 | Acorus calamus | Cang Chang Pu | 藏菖蒲 |
| TCMH2343 | Scrophularia ningpoensis | Xuan Shen | 玄参 |
| TCMH2553 | Scrophularia ningpoensis | Yuan Shen | 元参 |
| TCMH447 | Illicium difengpi | Di Feng Pi | 地枫皮 |
Showing 1 to 8 of 8 entries
Ingredient ID: TCMC2688
Formula: C12H16O3
Ingredient ID: TCMC2688
| Common Name | Cis-Asarone |
| IUPAC Name | 1,2,4-trimethoxy-5-[(Z)-prop-1-enyl]benzene |
| Canonical SMILES | C/C=Cc1cc(OC)c(cc1OC)OC |
| Standard InCHI | InChI=1S/C12H16O3/c1-5-6-9-7-11(14-3)12(15-4)8-10(9)13-2/h5-8H,1-4H3/b6-5- |
| Standard InCHIKey | RKFAZBXYICVSKP-WAYWQWQTSA-N |
| External Identifiers | ChEMBL [CHEMBL477752]; PubChem [5281758]; |
| Reference of Component-Ingredient Pair | 22351074 |
Occurrence of the ingredient across TCM components
| Component ID | Latin Name | Pinyin Name | Chinese Name |
|---|---|---|---|
| TCMH108 | Perilla frutescens | Bai Su Zi | 白苏子 |
| TCMH1275 | Nelumbo nucifera | Lian Zi | 莲子 |
| TCMH1276 | Nelumbo nucifera | Lian Zi Xin | 莲子心 |
| TCMH132 | Scutellaria barbata | Ban Zhi Lian | 半枝莲 |
| TCMH1598 | Nelumbo nucifera | Ou | 藕 |
| TCMH1599 | Nelumbo nucifera | Ou Fen | 藕粉 |
| TCMH1601 | Nelumbo nucifera | Ou Pian | 藕片 |
| TCMH1920 | Acorus tatarinowii | Shi Chang Pu | 石菖蒲 |
| TCMH1922 | Acorus tatarinowii | Shi Chang Pu Jin Gao | 石菖蒲浸膏 |
| TCMH1923 | Acorus tatarinowii | Shi Chang Pu Qing Gao | 石菖蒲清膏 |
Showing 1 to 10 of 21 entries
Ingredient ID: TCMC2635
Formula: C22H28O6
Ingredient ID: TCMC2635
| Common Name | (-)-Virolin |
| IUPAC Name | (1R,2R)-2-[2-methoxy-4-[(E)-prop-1-enyl]phenoxy]-1-(3,4,5-trimethoxyphenyl)propan-1-ol |
| Canonical SMILES | C/C=C/c1ccc(c(c1)OC)O[C@@H]([C@@H](c1cc(OC)c(c(c1)OC)OC)O)C |
| Standard InCHI | InChI=1S/C22H28O6/c1-7-8-15-9-10-17(18(11-15)24-3)28-14(2)21(23)16-12-19(25-4)22(27-6)20(13-16)26-5/h7-14,21,23H,1-6H3/b8-7+/t14-,21+/m1/s1 |
| Standard InCHIKey | LNEPYGTUEWFPKT-BUNWUOFNSA-N |
| External Identifiers | ChEMBL [CHEMBL2313009]; PubChem [5281868]; |
| Reference of Component-Ingredient Pair | N/A |
Occurrence of the ingredient across TCM components
Ingredient ID: TCMC2550
Formula: C15H24
Ingredient ID: TCMC2550
| Common Name | (+)-Germacrene D |
| IUPAC Name | (1E,6E,8R)-1-methyl-5-methylidene-8-propan-2-ylcyclodeca-1,6-diene |
| Canonical SMILES | C/C/1=CCCC(=C)/C=C/[C@H](CC1)C(C)C |
| Standard InCHI | InChI=1S/C15H24/c1-12(2)15-10-8-13(3)6-5-7-14(4)9-11-15/h7-8,10,12,15H,3,5-6,9,11H2,1-2,4H3/b10-8+,14-7+/t15-/m1/s1 |
| Standard InCHIKey | GAIBLDCXCZKKJE-RGZOGPIRSA-N |
| External Identifiers | ChEMBL [CHEMBL1836650]; PubChem [24771782]; |
| Reference of Component-Ingredient Pair | N/A |
Occurrence of the ingredient across TCM components
| Component ID | Latin Name | Pinyin Name | Chinese Name |
|---|---|---|---|
| TCMH1000 | Foeniculum vulgare | Hui Xiang | 茴香 |
| TCMH1063 | Curcuma longa | Jiang Huang | 姜黄 |
| TCMH108 | Perilla frutescens | Bai Su Zi | 白苏子 |
| TCMH1127 | Lonicera japonica | Jin Yin Hua | 金银花 |
| TCMH1128 | Lonicera japonica | Jin Yin Hua Ti Qu Ye | 金银花提取液 |
| TCMH1141 | Schizonepeta tenuifolia | Jing Jie | 荆芥 |
| TCMH1165 | Murraya paniculata | Jiu Li Xiang | 九里香 |
| TCMH1178 | Citrus reticulata | Ju He | 橘核 |
| TCMH1184 | Citrus reticulata | Ju Pi | 橘皮 |
| TCMH12 | Artemisia argyi | Ai Ye | 艾叶 |
Showing 1 to 10 of 59 entries
Ingredient ID: TCMC2542
Formula: C30H48O
Ingredient ID: TCMC2542
| Common Name | Cycloartenone |
| IUPAC Name | n.a. |
| Canonical SMILES | CC(=CCC[C@H]([C@H]1CC[C@@]2([C@]1(C)CC[C@@]13[C@H]2CC[C@@H]2[C@]3(C1)CCC(=O)C2(C)C)C)C)C |
| Standard InCHI | InChI=1S/C30H48O/c1-20(2)9-8-10-21(3)22-13-15-28(7)24-12-11-23-26(4,5)25(31)14-16-29(23)19-30(24,29)18-17-27(22,28)6/h9,21-24H,8,10-19H2,1-7H3/t21-,22-,23+,24+,27-,28+,29-,30+/m1/s1 |
| Standard InCHIKey | NAJCQAAOHKVCES-ZZOQNIIDSA-N |
| External Identifiers | ChEMBL [CHEMBL226084]; PubChem [12305360]; |
| Reference of Component-Ingredient Pair | N/A |
Occurrence of the ingredient across TCM components
| Component ID | Latin Name | Pinyin Name | Chinese Name |
|---|---|---|---|
| TCMH1059 | Glycine max | Jiang | 姜 |
| TCMH1062 | Glycine max | Jiang Gao | 姜膏 |
| TCMH1067 | Glycine max | Jiang Tan | 姜炭 |
| TCMH1178 | Citrus reticulata | Ju He | 橘核 |
| TCMH1184 | Citrus reticulata | Ju Pi | 橘皮 |
| TCMH1448 | Mangifera indica | Mang Guo Ye | 芒果叶 |
| TCMH1489 | Papaver somniferum | Mi Ying Su Ke | 蜜罂粟壳 |
| TCMH1920 | Acorus tatarinowii | Shi Chang Pu | 石菖蒲 |
| TCMH1922 | Acorus tatarinowii | Shi Chang Pu Jin Gao | 石菖蒲浸膏 |
| TCMH1923 | Acorus tatarinowii | Shi Chang Pu Qing Gao | 石菖蒲清膏 |
Showing 1 to 10 of 18 entries
Ingredient ID: TCMC2541
Formula: C10H18O
Ingredient ID: TCMC2541
| Common Name | Alpha-Terpineol |
| IUPAC Name | 2-[(1S)-4-methylcyclohex-3-en-1-yl]propan-2-ol |
| Canonical SMILES | CC1=CC[C@H](CC1)C(O)(C)C |
| Standard InCHI | InChI=1S/C10H18O/c1-8-4-6-9(7-5-8)10(2,3)11/h4,9,11H,5-7H2,1-3H3/t9-/m1/s1 |
| Standard InCHIKey | WUOACPNHFRMFPN-SECBINFHSA-N |
| External Identifiers | ChEMBL [CHEMBL447597]; PubChem [443162]; |
| Reference of Component-Ingredient Pair | 27231091 |
Occurrence of the ingredient across TCM components
| Component ID | Latin Name | Pinyin Name | Chinese Name |
|---|---|---|---|
| TCMH1033 | Centella asiatica | Ji Xue Cao | 积雪草 |
| TCMH1063 | Curcuma longa | Jiang Huang | 姜黄 |
| TCMH1064 | Coptis chinensis | Jiang Huang Lian | 姜黄连 |
| TCMH108 | Perilla frutescens | Bai Su Zi | 白苏子 |
| TCMH1127 | Lonicera japonica | Jin Yin Hua | 金银花 |
| TCMH1128 | Lonicera japonica | Jin Yin Hua Ti Qu Ye | 金银花提取液 |
| TCMH114 | Platycladus orientalis | Bai Ye | 柏叶 |
| TCMH1161 | Coptis chinensis | Jiu Huang Lian | 酒黄连 |
| TCMH1165 | Murraya paniculata | Jiu Li Xiang | 九里香 |
| TCMH1175 | Cornus officinalis | Jiu Yu Rou | 酒萸肉 |
Showing 1 to 10 of 143 entries
Ingredient ID: TCMC2529
Formula: C23H30O7
Ingredient ID: TCMC2529
| Common Name | Polysyphorin |
| IUPAC Name | (1S,2R)-2-[2,6-dimethoxy-4-[(E)-prop-1-enyl]phenoxy]-1-(3,4,5-trimethoxyphenyl)propan-1-ol |
| Canonical SMILES | C/C=C/c1cc(OC)c(c(c1)OC)O[C@@H]([C@H](c1cc(OC)c(c(c1)OC)OC)O)C |
| Standard InCHI | InChI=1S/C23H30O7/c1-8-9-15-10-17(25-3)23(18(11-15)26-4)30-14(2)21(24)16-12-19(27-5)22(29-7)20(13-16)28-6/h8-14,21,24H,1-7H3/b9-8+/t14-,21-/m1/s1 |
| Standard InCHIKey | FLBWVIKFCMUTDS-IPHDZNCISA-N |
| External Identifiers | ChEMBL [CHEMBL460235]; PubChem [44559993]; |
| Reference of Component-Ingredient Pair | N/A |
Occurrence of the ingredient across TCM components
Ingredient ID: TCMC2484
Formula: C10H18O
Ingredient ID: TCMC2484
| Common Name | Terpineol |
| IUPAC Name | 4-methyl-1-propan-2-ylcyclohex-3-en-1-ol |
| Canonical SMILES | CC1=CCC(CC1)(O)C(C)C |
| Standard InCHI | InChI=1S/C10H18O/c1-8(2)10(11)6-4-9(3)5-7-10/h4,8,11H,5-7H2,1-3H3 |
| Standard InCHIKey | WRYLYDPHFGVWKC-UHFFFAOYSA-N |
| External Identifiers | ChEMBL [CHEMBL507795]; PubChem [11230]; |
| Reference of Component-Ingredient Pair | 23122094 |
Occurrence of the ingredient across TCM components
| Component ID | Latin Name | Pinyin Name | Chinese Name |
|---|---|---|---|
| TCMH1000 | Foeniculum vulgare | Hui Xiang | 茴香 |
| TCMH1063 | Curcuma longa | Jiang Huang | 姜黄 |
| TCMH1127 | Lonicera japonica | Jin Yin Hua | 金银花 |
| TCMH1128 | Lonicera japonica | Jin Yin Hua Ti Qu Ye | 金银花提取液 |
| TCMH1178 | Citrus reticulata | Ju He | 橘核 |
| TCMH1184 | Citrus reticulata | Ju Pi | 橘皮 |
| TCMH12 | Artemisia argyi | Ai Ye | 艾叶 |
| TCMH1225 | Valeriana officinalis | Kuan Ye Xie Cao | 宽叶缬草 |
| TCMH1272 | Forsythia suspensa | Lian Qiao | 连翘 |
| TCMH13 | Artemisia argyi | Ai Ye You | 艾叶油 |
Showing 1 to 10 of 101 entries
Ingredient ID: TCMC2477
Formula: C27H30O15
Ingredient ID: TCMC2477
| Common Name | Kaempferol-3-O-Rutinoside |
| IUPAC Name | 5,7-dihydroxy-2-(4-hydroxyphenyl)-3-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-[[(2S,3S,4S,5S,6R)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxymethyl]oxan-2-yl]oxychromen-4-one |
| Canonical SMILES | Oc1ccc(cc1)c1oc2cc(O)cc(c2c(=O)c1O[C@@H]1O[C@H](CO[C@H]2O[C@H](C)[C@H]([C@@H]([C@@H]2O)O)O)[C@H]([C@@H]([C@H]1O)O)O)O |
| Standard InCHI | InChI=1S/C27H30O15/c1-9-17(31)20(34)22(36)26(39-9)38-8-15-18(32)21(35)23(37)27(41-15)42-25-19(33)16-13(30)6-12(29)7-14(16)40-24(25)10-2-4-11(28)5-3-10/h2-7,9,15,17-18,20-23,26-32,34-37H,8H2,1H3/t9-,15-,17-,18-,20+,21+,22+,23-,26+,27+/m1/s1 |
| Standard InCHIKey | RTATXGUCZHCSNG-WLPGYADJSA-N |
| External Identifiers | ChEMBL [CHEMBL398138]; PubChem [20055286]; |
| Reference of Component-Ingredient Pair | N/A |
Occurrence of the ingredient across TCM components
| Component ID | Latin Name | Pinyin Name | Chinese Name |
|---|---|---|---|
| TCMH1000 | Foeniculum vulgare | Hui Xiang | 茴香 |
| TCMH101 | Chelidonium majus | Bai Qu Cai | 白屈菜 |
| TCMH1127 | Lonicera japonica | Jin Yin Hua | 金银花 |
| TCMH1128 | Lonicera japonica | Jin Yin Hua Ti Qu Ye | 金银花提取液 |
| TCMH1185 | Lycium chinense | Gou Qi | 枸杞 |
| TCMH1186 | Lycium chinense | Gou Qi Zi | 枸杞子 |
| TCMH1466 | Rosa rugosa | Mei Gui Hua | 玫瑰花 |
| TCMH1714 | Lonicera japonica | Ren Dong Teng | 忍冬藤 |
| TCMH1792 | Morus alba | Sang Pi | 桑皮 |
| TCMH1797 | Morus alba | Sang Ye | 桑叶 |
Showing 1 to 10 of 24 entries
Ingredient ID: TCMC224
Formula: C11H14O3
Ingredient ID: TCMC224
| Common Name | 1-(3,4-Dimethoxyphenyl)Propan-1-One |
| IUPAC Name | 1-(3,4-dimethoxyphenyl)propan-1-one |
| Canonical SMILES | CCC(=O)c1ccc(c(c1)OC)OC |
| Standard InCHI | InChI=1S/C11H14O3/c1-4-9(12)8-5-6-10(13-2)11(7-8)14-3/h5-7H,4H2,1-3H3 |
| Standard InCHIKey | SBMSBQOMJGZBRY-UHFFFAOYSA-N |
| External Identifiers | ChEMBL [CHEMBL479685]; PubChem [15781]; |
| Reference of Component-Ingredient Pair | N/A |
Occurrence of the ingredient across TCM components
Ingredient ID: TCMC2225
Formula: C22H28O5
Ingredient ID: TCMC2225
| Common Name | Veraguensin |
| IUPAC Name | (2S,3R,4R,5R)-2,5-bis(3,4-dimethoxyphenyl)-3,4-dimethyloxolane |
| Canonical SMILES | COc1cc(ccc1OC)[C@@H]1O[C@@H]([C@@H]([C@H]1C)C)c1ccc(c(c1)OC)OC |
| Standard InCHI | InChI=1S/C22H28O5/c1-13-14(2)22(16-8-10-18(24-4)20(12-16)26-6)27-21(13)15-7-9-17(23-3)19(11-15)25-5/h7-14,21-22H,1-6H3/t13-,14-,21-,22+/m1/s1 |
| Standard InCHIKey | JLJAVUZBHSLLJL-SRLQQUAWSA-N |
| External Identifiers | ChEMBL [CHEMBL112481]; PubChem [44340797]; |
| Reference of Component-Ingredient Pair | N/A |
Occurrence of the ingredient across TCM components
| Component ID | Latin Name | Pinyin Name | Chinese Name |
|---|---|---|---|
| TCMH1920 | Acorus tatarinowii | Shi Chang Pu | 石菖蒲 |
| TCMH1922 | Acorus tatarinowii | Shi Chang Pu Jin Gao | 石菖蒲浸膏 |
| TCMH1923 | Acorus tatarinowii | Shi Chang Pu Qing Gao | 石菖蒲清膏 |
| 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 |
| TCMH2320 | Magnolia liliflora | Xin Yi Ren | 辛夷仁 |
| TCMH587 | Piper kadsura | Feng Teng | 风藤 |
| TCMH776 | Piper kadsura | Hai Feng Teng | 海风藤 |
Showing 1 to 9 of 9 entries
Ingredient ID: TCMC2201
Formula: C8H10O2
Ingredient ID: TCMC2201
| Common Name | Tyrosol |
| IUPAC Name | 4-(2-hydroxyethyl)phenol |
| Canonical SMILES | OCCc1ccc(cc1)O |
| Standard InCHI | InChI=1S/C8H10O2/c9-6-5-7-1-3-8(10)4-2-7/h1-4,9-10H,5-6H2 |
| Standard InCHIKey | YCCILVSKPBXVIP-UHFFFAOYSA-N |
| External Identifiers | ChEMBL [CHEMBL53566]; PubChem [10393]; |
| Reference of Component-Ingredient Pair | 23017390 |
Occurrence of the ingredient across TCM components
| Component ID | Latin Name | Pinyin Name | Chinese Name |
|---|---|---|---|
| TCMH1011 | Sargentodoxa cuneata | Huo Xue Teng | 活血藤 |
| TCMH1272 | Forsythia suspensa | Lian Qiao | 连翘 |
| TCMH1417 | Pinus massoniana | Ma Wei Song Gen | 马尾松根 |
| TCMH1418 | Pinus massoniana | Ma Wei Song Shu Gen | 马尾松树根 |
| TCMH143 | Albizia julibrissin | Bei He Huan | 北合欢 |
| TCMH1442 | Datura stramonium | Man Tuo Luo | 曼陀罗 |
| TCMH1443 | Datura stramonium | Man Tuo Luo Jin Gao | 曼陀罗浸膏 |
| TCMH1597 | Ligustrum lucidum | Nv Zhen Zi | 女贞子 |
| TCMH1734 | Homo sapiens | Ren Zhong Bai | 人中白 |
| TCMH1740 | Cistanche deserticola | Rou Cong Rong | 肉苁蓉 |
Showing 1 to 10 of 39 entries
Ingredient ID: TCMC2180
Formula: C12H16O3
Ingredient ID: TCMC2180
| Common Name | Trans-Asarone |
| IUPAC Name | 1,2,4-trimethoxy-5-[(E)-prop-1-enyl]benzene |
| Canonical SMILES | C/C=C/c1cc(OC)c(cc1OC)OC |
| Standard InCHI | InChI=1S/C12H16O3/c1-5-6-9-7-11(14-3)12(15-4)8-10(9)13-2/h5-8H,1-4H3/b6-5+ |
| Standard InCHIKey | RKFAZBXYICVSKP-AATRIKPKSA-N |
| External Identifiers | ChEMBL [CHEMBL333306]; PubChem [636822]; |
| Reference of Component-Ingredient Pair | 29174417 |
Occurrence of the ingredient across TCM components
| Component ID | Latin Name | Pinyin Name | Chinese Name |
|---|---|---|---|
| TCMH1045 | Piper sarmentosum | Jia Ju | 假蒟 |
| TCMH1051 | Piper sarmentosum | Jia 蒟ye | 假蒟叶 |
| TCMH108 | Perilla frutescens | Bai Su Zi | 白苏子 |
| TCMH1175 | Cornus officinalis | Jiu Yu Rou | 酒萸肉 |
| TCMH1275 | Nelumbo nucifera | Lian Zi | 莲子 |
| TCMH1276 | Nelumbo nucifera | Lian Zi Xin | 莲子心 |
| TCMH1562 | Arctium lappa | Niu Bang Zi | 牛蒡子 |
| TCMH1598 | Nelumbo nucifera | Ou | 藕 |
| TCMH1599 | Nelumbo nucifera | Ou Fen | 藕粉 |
| TCMH160 | Piper cubeba | Bi Cheng Qie | 毕澄茄 |
Showing 1 to 10 of 24 entries
Ingredient ID: TCMC2166
Formula: C10H14O
Ingredient ID: TCMC2166
| Common Name | Thymol |
| IUPAC Name | 5-methyl-2-propan-2-ylphenol |
| Canonical SMILES | Cc1ccc(c(c1)O)C(C)C |
| Standard InCHI | InChI=1S/C10H14O/c1-7(2)9-5-4-8(3)6-10(9)11/h4-7,11H,1-3H3 |
| Standard InCHIKey | MGSRCZKZVOBKFT-UHFFFAOYSA-N |
| External Identifiers | ChEMBL [CHEMBL29411]; PubChem [6989]; |
| Reference of Component-Ingredient Pair | 29191726 |
Occurrence of the ingredient across TCM components
| Component ID | Latin Name | Pinyin Name | Chinese Name |
|---|---|---|---|
| TCMH1029 | Paederia scandens | Ji Shi Teng | 鸡矢藤 |
| TCMH108 | Perilla frutescens | Bai Su Zi | 白苏子 |
| TCMH114 | Platycladus orientalis | Bai Ye | 柏叶 |
| TCMH1165 | Murraya paniculata | Jiu Li Xiang | 九里香 |
| TCMH1178 | Citrus reticulata | Ju He | 橘核 |
| TCMH1181 | Chrysanthemum morifolium | Ju Hua | 菊花 |
| TCMH1184 | Citrus reticulata | Ju Pi | 橘皮 |
| TCMH1292 | Radix smilacis | Ling Xian | 灵仙 |
| TCMH132 | Scutellaria barbata | Ban Zhi Lian | 半枝莲 |
| TCMH1380 | Humulus japonicus | Lv Cao | 葎草 |
Showing 1 to 10 of 69 entries
Ingredient ID: TCMC2035
Formula: C10H10O2
Ingredient ID: TCMC2035
| Common Name | Safrole |
| IUPAC Name | 5-prop-2-enyl-1,3-benzodioxole |
| Canonical SMILES | C=CCc1ccc2c(c1)OCO2 |
| Standard InCHI | InChI=1S/C10H10O2/c1-2-3-8-4-5-9-10(6-8)12-7-11-9/h2,4-6H,1,3,7H2 |
| Standard InCHIKey | ZMQAAUBTXCXRIC-UHFFFAOYSA-N |
| External Identifiers | ChEMBL [CHEMBL242273]; PubChem [5144]; |
| Reference of Component-Ingredient Pair | 25058030 |
Occurrence of the ingredient across TCM components
| Component ID | Latin Name | Pinyin Name | Chinese Name |
|---|---|---|---|
| TCMH114 | Platycladus orientalis | Bai Ye | 柏叶 |
| TCMH1158 | Ocimum basilicum | Jiu Ceng Ta | 九层塔 |
| TCMH1175 | Cornus officinalis | Jiu Yu Rou | 酒萸肉 |
| TCMH1290 | Ocimum basilicum | Ling Ling Xiang | 零陵香 |
| TCMH130 | Pinellia ternata | Ban Xia | 半夏 |
| TCMH131 | Pinellia ternata | Ban Xia Qu | 半夏曲 |
| TCMH1374 | Ocimum basilicum | Luo Le | 罗勒 |
| TCMH143 | Albizia julibrissin | Bei He Huan | 北合欢 |
| TCMH1551 | Asarum forbesii | Nan Xi Xin | 南细辛 |
| TCMH160 | Piper cubeba | Bi Cheng Qie | 毕澄茄 |
Showing 1 to 10 of 40 entries
Ingredient ID: TCMC1969
Formula: C8H10
Ingredient ID: TCMC1969
| Common Name | P-Xylene |
| IUPAC Name | 1,4-xylene |
| Canonical SMILES | Cc1ccc(cc1)C |
| Standard InCHI | InChI=1S/C8H10/c1-7-3-5-8(2)6-4-7/h3-6H,1-2H3 |
| Standard InCHIKey | URLKBWYHVLBVBO-UHFFFAOYSA-N |
| External Identifiers | ChEMBL [CHEMBL31561]; PubChem [7809]; |
| Reference of Component-Ingredient Pair | N/A |
Occurrence of the ingredient across TCM components
| Component ID | Latin Name | Pinyin Name | Chinese Name |
|---|---|---|---|
| TCMH1178 | Citrus reticulata | Ju He | 橘核 |
| TCMH1184 | Citrus reticulata | Ju Pi | 橘皮 |
| TCMH12 | Artemisia argyi | Ai Ye | 艾叶 |
| TCMH1215 | Sophora flavescens | Ku Shen | 苦参 |
| TCMH13 | Artemisia argyi | Ai Ye You | 艾叶油 |
| 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 |
| TCMH1486 | Ephedra sinica | Mi Ma Huang | 蜜麻黄 |
Showing 1 to 10 of 31 entries
Ingredient ID: TCMC1889
Formula: C16H12O5
Ingredient ID: TCMC1889
| Common Name | Physcion |
| IUPAC Name | 1,8-dihydroxy-3-methoxy-6-methylanthracene-9,10-dione |
| Canonical SMILES | COc1cc(O)c2c(c1)C(=O)c1c(C2=O)c(O)cc(c1)C |
| Standard InCHI | InChI=1S/C16H12O5/c1-7-3-9-13(11(17)4-7)16(20)14-10(15(9)19)5-8(21-2)6-12(14)18/h3-6,17-18H,1-2H3 |
| Standard InCHIKey | FFWOKTFYGVYKIR-UHFFFAOYSA-N |
| External Identifiers | ChEMBL [CHEMBL42624]; PubChem [10639]; |
| Reference of Component-Ingredient Pair | 29667811 |
Occurrence of the ingredient across TCM components
| Component ID | Latin Name | Pinyin Name | Chinese Name |
|---|---|---|---|
| TCMH1199 | Cassia tora | Jue Ming Zi | 决明子 |
| TCMH1490 | Aster tataricus | Mi Zi Wan | 蜜紫菀 |
| TCMH1589 | Rumex patientia | Niu Xi Xi | 牛西西 |
| TCMH1657 | Radix moghaniae philippinensis | Qian Jin Ba | 千斤拔 |
| TCMH182 | Areca catechu | Bing Lang | 槟榔 |
| TCMH1920 | Acorus tatarinowii | Shi Chang Pu | 石菖蒲 |
| TCMH1922 | Acorus tatarinowii | Shi Chang Pu Jin Gao | 石菖蒲浸膏 |
| TCMH1923 | Acorus tatarinowii | Shi Chang Pu Qing Gao | 石菖蒲清膏 |
| TCMH1965 | Rheum palmatum | Shu Da Huang | 熟大黄 |
| TCMH2048 | Rumex acetosa | Suan Mo | 酸模 |
Showing 1 to 10 of 36 entries
Ingredient ID: TCMC1830
Formula: C16H32O2
Ingredient ID: TCMC1830
| Common Name | Palmitic Acid |
| IUPAC Name | hexadecanoic acid |
| Canonical SMILES | CCCCCCCCCCCCCCCC(=O)O |
| Standard InCHI | InChI=1S/C16H32O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16(17)18/h2-15H2,1H3,(H,17,18) |
| Standard InCHIKey | IPCSVZSSVZVIGE-UHFFFAOYSA-N |
| External Identifiers | ChEMBL [CHEMBL82293]; PubChem [985]; |
| Reference of Component-Ingredient Pair | 29968805 |
Occurrence of the ingredient across TCM components
| Component ID | Latin Name | Pinyin Name | Chinese Name |
|---|---|---|---|
| TCMH1000 | Foeniculum vulgare | Hui Xiang | 茴香 |
| TCMH1005 | Cannabis sativa | Huo Ma Ren | 火麻仁 |
| TCMH1008 | Pogostemon cablin | Huo Xiang | 藿香 |
| TCMH1009 | Pogostemon cablin | Huo Xiang Ye | 藿香叶 |
| TCMH1022 | Celosia cristata | Ji Guan Hua | 鸡冠花 |
| TCMH1029 | Paederia scandens | Ji Shi Teng | 鸡矢藤 |
| TCMH1033 | Centella asiatica | Ji Xue Cao | 积雪草 |
| TCMH1063 | Curcuma longa | Jiang Huang | 姜黄 |
| TCMH108 | Perilla frutescens | Bai Su Zi | 白苏子 |
| TCMH1105 | Trollius chinensis | Jin Lian Hua | 金莲花 |
Showing 1 to 10 of 274 entries
Ingredient ID: TCMC1826
Formula: C9H10O3
Ingredient ID: TCMC1826
| Common Name | Paeonol |
| IUPAC Name | 1-(2-hydroxy-4-methoxyphenyl)ethanone |
| Canonical SMILES | COc1ccc(c(c1)O)C(=O)C |
| Standard InCHI | InChI=1S/C9H10O3/c1-6(10)8-4-3-7(12-2)5-9(8)11/h3-5,11H,1-2H3 |
| Standard InCHIKey | UILPJVPSNHJFIK-UHFFFAOYSA-N |
| External Identifiers | ChEMBL [CHEMBL1079227]; PubChem [11092]; |
| Reference of Component-Ingredient Pair | 21201807 |
Occurrence of the ingredient across TCM components
| Component ID | Latin Name | Pinyin Name | Chinese Name |
|---|---|---|---|
| TCMH1005 | Cannabis sativa | Huo Ma Ren | 火麻仁 |
| TCMH104 | Paeonia lactiflora | Bai Shao | 白芍 |
| TCMH105 | Paeonia lactiflora | Bai Shao Gan Jin Gao | 白芍干浸膏 |
| TCMH114 | Platycladus orientalis | Bai Ye | 柏叶 |
| TCMH130 | Pinellia ternata | Ban Xia | 半夏 |
| TCMH131 | Pinellia ternata | Ban Xia Qu | 半夏曲 |
| TCMH1409 | Cannabis sativa | Ma Ren | 麻仁 |
| TCMH1469 | Flos mume | Mei Hua | 梅花 |
| TCMH1513 | Paeonia moutan | Mu Dan Pi | 牡丹皮 |
| TCMH1531 | Akebia quinata | Mu Tong | 木通 |
Showing 1 to 10 of 35 entries
Ingredient ID: TCMC1769
Formula: C11H12O4
Ingredient ID: TCMC1769
| Common Name | O,O'-Dimethylcaffeic Acid |
| IUPAC Name | (E)-3-(3,4-dimethoxyphenyl)prop-2-enoic acid |
| Canonical SMILES | COc1cc(/C=C/C(=O)O)ccc1OC |
| Standard InCHI | InChI=1S/C11H12O4/c1-14-9-5-3-8(4-6-11(12)13)7-10(9)15-2/h3-7H,1-2H3,(H,12,13)/b6-4+ |
| Standard InCHIKey | HJBWJAPEBGSQPR-GQCTYLIASA-N |
| External Identifiers | ChEMBL [CHEMBL320295]; PubChem [717531]; |
| Reference of Component-Ingredient Pair | N/A |
Occurrence of the ingredient across TCM components
| Component ID | Latin Name | Pinyin Name | Chinese Name |
|---|---|---|---|
| TCMH1305 | Laggera alata | Liu Ling Ju | 六棱菊 |
| TCMH1734 | Homo sapiens | Ren Zhong Bai | 人中白 |
| TCMH1920 | Acorus tatarinowii | Shi Chang Pu | 石菖蒲 |
| TCMH1922 | Acorus tatarinowii | Shi Chang Pu Jin Gao | 石菖蒲浸膏 |
| TCMH1923 | Acorus tatarinowii | Shi Chang Pu Qing Gao | 石菖蒲清膏 |
| TCMH203 | Acorus calamus | Cang Chang Pu | 藏菖蒲 |
| TCMH2554 | Polygala tenuifolia | Yuan Zhi | 远志 |
| TCMH2555 | Polygala tenuifolia | Yuan Zhi Jin Gao | 远志浸膏 |
| TCMH2556 | Polygala tenuifolia | Yuan Zhi Liu Jin Gao | 远志流浸膏 |
| TCMH2710 | Homo sapiens | Zi He Che | 紫河车 |
Showing 1 to 10 of 11 entries
Ingredient ID: TCMC1767
Formula: C18H19NO4
Ingredient ID: TCMC1767
| Common Name | N-Trans-Feruloyl Tyramine |
| IUPAC Name | (E)-3-(4-hydroxy-3-methoxyphenyl)-N-[2-(4-hydroxyphenyl)ethyl]prop-2-enamide |
| Canonical SMILES | COc1cc(/C=C/C(=NCCc2ccc(cc2)O)O)ccc1O |
| Standard InCHI | InChI=1S/C18H19NO4/c1-23-17-12-14(4-8-16(17)21)5-9-18(22)19-11-10-13-2-6-15(20)7-3-13/h2-9,12,20-21H,10-11H2,1H3,(H,19,22)/b9-5+ |
| Standard InCHIKey | NPNNKDMSXVRADT-WEVVVXLNSA-N |
| External Identifiers | ChEMBL [CHEMBL206555]; PubChem [5280537]; |
| Reference of Component-Ingredient Pair | 11509987 |
Occurrence of the ingredient across TCM components
| Component ID | Latin Name | Pinyin Name | Chinese Name |
|---|---|---|---|
| TCMH1005 | Cannabis sativa | Huo Ma Ren | 火麻仁 |
| TCMH1024 | Tribulus terrestris | Ji Li | 蒺藜 |
| TCMH1185 | Lycium chinense | Gou Qi | 枸杞 |
| TCMH1186 | Lycium chinense | Gou Qi Zi | 枸杞子 |
| TCMH1265 | Chenopodium album | Li | 藜 |
| TCMH1275 | Nelumbo nucifera | Lian Zi | 莲子 |
| TCMH1276 | Nelumbo nucifera | Lian Zi Xin | 莲子心 |
| TCMH1380 | Humulus japonicus | Lv Cao | 葎草 |
| TCMH1396 | Portulaca oleracea | Ma Chi Xian | 马齿苋 |
| TCMH1409 | Cannabis sativa | Ma Ren | 麻仁 |
Showing 1 to 10 of 41 entries
Ingredient ID: TCMC1607
Formula: C8H10
Ingredient ID: TCMC1607
| Common Name | M-Xylene |
| IUPAC Name | 1,3-xylene |
| Canonical SMILES | Cc1cccc(c1)C |
| Standard InCHI | InChI=1S/C8H10/c1-7-4-3-5-8(2)6-7/h3-6H,1-2H3 |
| Standard InCHIKey | IVSZLXZYQVIEFR-UHFFFAOYSA-N |
| External Identifiers | ChEMBL [CHEMBL286727]; PubChem [7929]; |
| Reference of Component-Ingredient Pair | 23084275 |
Occurrence of the ingredient across TCM components
| Component ID | Latin Name | Pinyin Name | Chinese Name |
|---|---|---|---|
| TCMH12 | Artemisia argyi | Ai Ye | 艾叶 |
| TCMH1215 | Sophora flavescens | Ku Shen | 苦参 |
| TCMH13 | Artemisia argyi | Ai Ye You | 艾叶油 |
| 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 |
| TCMH1486 | Ephedra sinica | Mi Ma Huang | 蜜麻黄 |
| TCMH1721 | Panax ginseng | Ren Shen | 人参 |
| TCMH1728 | Panax ginseng | Ren Shen Ye | 人参叶 |
Showing 1 to 10 of 26 entries
Ingredient ID: TCMC1578
Formula: C11H14O2
Ingredient ID: TCMC1578
| Common Name | Methyleugenol |
| IUPAC Name | 1,2-dimethoxy-4-prop-2-enylbenzene |
| Canonical SMILES | C=CCc1ccc(c(c1)OC)OC |
| Standard InCHI | InChI=1S/C11H14O2/c1-4-5-9-6-7-10(12-2)11(8-9)13-3/h4,6-8H,1,5H2,2-3H3 |
| Standard InCHIKey | ZYEMGPIYFIJGTP-UHFFFAOYSA-N |
| External Identifiers | ChEMBL [CHEMBL108861]; PubChem [7127]; |
| Reference of Component-Ingredient Pair | 28326452 |
Occurrence of the ingredient across TCM components
| Component ID | Latin Name | Pinyin Name | Chinese Name |
|---|---|---|---|
| TCMH1158 | Ocimum basilicum | Jiu Ceng Ta | 九层塔 |
| TCMH1175 | Cornus officinalis | Jiu Yu Rou | 酒萸肉 |
| TCMH12 | Artemisia argyi | Ai Ye | 艾叶 |
| TCMH1215 | Sophora flavescens | Ku Shen | 苦参 |
| TCMH1290 | Ocimum basilicum | Ling Ling Xiang | 零陵香 |
| TCMH1292 | Radix smilacis | Ling Xian | 灵仙 |
| TCMH13 | Artemisia argyi | Ai Ye You | 艾叶油 |
| TCMH130 | Pinellia ternata | Ban Xia | 半夏 |
| TCMH131 | Pinellia ternata | Ban Xia Qu | 半夏曲 |
| TCMH132 | Scutellaria barbata | Ban Zhi Lian | 半枝莲 |
Showing 1 to 10 of 66 entries
Ingredient ID: TCMC1495
Formula: C18H32O2
Ingredient ID: TCMC1495
| Common Name | Linoleic Acid |
| IUPAC Name | (9Z,12Z)-octadeca-9,12-dienoic acid |
| Canonical SMILES | CCCCC/C=CC/C=CCCCCCCCC(=O)O |
| Standard InCHI | InChI=1S/C18H32O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20/h6-7,9-10H,2-5,8,11-17H2,1H3,(H,19,20)/b7-6-,10-9- |
| Standard InCHIKey | OYHQOLUKZRVURQ-HZJYTTRNSA-N |
| External Identifiers | ChEMBL [CHEMBL267476]; PubChem [5280450]; |
| Reference of Component-Ingredient Pair | 29968805 |
Occurrence of the ingredient across TCM components
| Component ID | Latin Name | Pinyin Name | Chinese Name |
|---|---|---|---|
| TCMH1000 | Foeniculum vulgare | Hui Xiang | 茴香 |
| TCMH1005 | Cannabis sativa | Huo Ma Ren | 火麻仁 |
| TCMH1008 | Pogostemon cablin | Huo Xiang | 藿香 |
| TCMH1009 | Pogostemon cablin | Huo Xiang Ye | 藿香叶 |
| TCMH1022 | Celosia cristata | Ji Guan Hua | 鸡冠花 |
| TCMH1063 | Curcuma longa | Jiang Huang | 姜黄 |
| TCMH108 | Perilla frutescens | Bai Su Zi | 白苏子 |
| TCMH1105 | Trollius chinensis | Jin Lian Hua | 金莲花 |
| TCMH1111 | Polygala glomerata | Jin Niu Cao | 金牛草 |
| TCMH1118 | Lygodium japonicum | Jin Sha Teng | 金沙藤 |
Showing 1 to 10 of 216 entries
Ingredient ID: TCMC1493
Formula: C10H18O
Ingredient ID: TCMC1493
| 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 |
|---|---|---|---|
| TCMH1000 | Foeniculum vulgare | Hui Xiang | 茴香 |
| TCMH1029 | Paederia scandens | Ji Shi Teng | 鸡矢藤 |
| TCMH1033 | Centella asiatica | Ji Xue Cao | 积雪草 |
| TCMH1063 | Curcuma longa | Jiang Huang | 姜黄 |
| TCMH108 | Perilla frutescens | Bai Su Zi | 白苏子 |
| TCMH1117 | Rhizoma fagopyri cymosi | Jin Qiao Mai | 金荞麦 |
| TCMH1126 | Craibiodendron yunnanese | Jin Ye Zi | 金叶子 |
| TCMH1127 | Lonicera japonica | Jin Yin Hua | 金银花 |
| TCMH1128 | Lonicera japonica | Jin Yin Hua Ti Qu Ye | 金银花提取液 |
| TCMH1144 | Schizonepetae herba | Jing Jie Tan | 荆芥炭 |
Showing 1 to 10 of 154 entries
Ingredient ID: TCMC1492
Formula: C10H18O
Ingredient ID: TCMC1492
| Common Name | Linalool |
| IUPAC Name | 3,7-dimethylocta-1,6-dien-3-ol |
| Canonical SMILES | C=CC(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 |
| Standard InCHIKey | CDOSHBSSFJOMGT-UHFFFAOYSA-N |
| External Identifiers | ChEMBL [CHEMBL25306]; PubChem [6549]; |
| Reference of Component-Ingredient Pair | 29029310 |
Occurrence of the ingredient across TCM components
| Component ID | Latin Name | Pinyin Name | Chinese Name |
|---|---|---|---|
| TCMH1000 | Foeniculum vulgare | Hui Xiang | 茴香 |
| TCMH1029 | Paederia scandens | Ji Shi Teng | 鸡矢藤 |
| TCMH1063 | Curcuma longa | Jiang Huang | 姜黄 |
| TCMH108 | Perilla frutescens | Bai Su Zi | 白苏子 |
| TCMH1127 | Lonicera japonica | Jin Yin Hua | 金银花 |
| TCMH1128 | Lonicera japonica | Jin Yin Hua Ti Qu Ye | 金银花提取液 |
| TCMH1165 | Murraya paniculata | Jiu Li Xiang | 九里香 |
| TCMH1178 | Citrus reticulata | Ju He | 橘核 |
| TCMH1184 | Citrus reticulata | Ju Pi | 橘皮 |
| TCMH12 | Artemisia argyi | Ai Ye | 艾叶 |
Showing 1 to 10 of 103 entries
Ingredient ID: TCMC1480
Formula: C5H9NO4
Ingredient ID: TCMC1480
| Common Name | L-Glutamate |
| IUPAC Name | (2S)-2-azaniumyl-5-hydroxy-5-oxopentanoate |
| Canonical SMILES | OC(=O)CC[C@@H](C(=O)O)N |
| Standard InCHI | InChI=1S/C5H9NO4/c6-3(5(9)10)1-2-4(7)8/h3H,1-2,6H2,(H,7,8)(H,9,10)/t3-/m0/s1 |
| Standard InCHIKey | WHUUTDBJXJRKMK-VKHMYHEASA-N |
| External Identifiers | ChEMBL [CHEMBL575060]; PubChem [44272391]; |
| Reference of Component-Ingredient Pair | N/A |
Occurrence of the ingredient across TCM components
| Component ID | Latin Name | Pinyin Name | Chinese Name |
|---|---|---|---|
| TCMH1090 | Brassica juncea | Jie Zi | 芥子 |
| TCMH1175 | Cornus officinalis | Jiu Yu Rou | 酒萸肉 |
| TCMH1223 | Tussilago farfara | Kuan Dong Hua | 款冬花 |
| TCMH1483 | Tussilago farfara | Mi Kuan Dong Hua | 蜜款冬花 |
| TCMH1584 | Achyranthes bidentata | Niu Teng | 牛藤 |
| TCMH1588 | Achyranthes bidentata | Niu Xi | 牛膝 |
| TCMH1734 | Homo sapiens | Ren Zhong Bai | 人中白 |
| TCMH1862 | Cornus officinalis | Shan Zhu Yu | 山茱萸 |
| TCMH1920 | Acorus tatarinowii | Shi Chang Pu | 石菖蒲 |
| TCMH1922 | Acorus tatarinowii | Shi Chang Pu Jin Gao | 石菖蒲浸膏 |
Showing 1 to 10 of 23 entries
Ingredient ID: TCMC1397
Formula: C16H12O6
Ingredient ID: TCMC1397
| Common Name | Isokaempferide |
| IUPAC Name | 5,7-dihydroxy-2-(4-hydroxyphenyl)-3-methoxychromen-4-one |
| Canonical SMILES | COc1c(oc2c(c1=O)c(O)cc(c2)O)c1ccc(cc1)O |
| Standard InCHI | InChI=1S/C16H12O6/c1-21-16-14(20)13-11(19)6-10(18)7-12(13)22-15(16)8-2-4-9(17)5-3-8/h2-7,17-19H,1H3 |
| Standard InCHIKey | VJJZJBUCDWKPLC-UHFFFAOYSA-N |
| External Identifiers | ChEMBL [CHEMBL165064]; PubChem [5280862]; |
| Reference of Component-Ingredient Pair | N/A |
Occurrence of the ingredient across TCM components
| Component ID | Latin Name | Pinyin Name | Chinese Name |
|---|---|---|---|
| TCMH1068 | Dalbergia odorifera | Jiang Xiang | 降香 |
| TCMH1475 | Glycyrrhiza uralensis | Mi Gan Cao | 蜜甘草 |
| TCMH1859 | Helicteres angustifolia | Shan Zhi Ma | 山芝麻 |
| TCMH1860 | Helicteres angustifolia | Shan Zhi Ma Gan Jin Gao | 山芝麻干浸膏 |
| TCMH1899 | Glycyrrhiza uralensis | Sheng Gan Cao | 生甘草 |
| TCMH1920 | Acorus tatarinowii | Shi Chang Pu | 石菖蒲 |
| TCMH1922 | Acorus tatarinowii | Shi Chang Pu Jin Gao | 石菖蒲浸膏 |
| TCMH1923 | Acorus tatarinowii | Shi Chang Pu Qing Gao | 石菖蒲清膏 |
| TCMH2135 | Glycyrrhiza uralensis | Tu Gan Cao | 土甘草 |
| TCMH214 | Alpinia katsumadai | Cao Dou Kou | 草豆蔻 |
Showing 1 to 10 of 21 entries
Ingredient ID: TCMC1352
Formula: C8H10O3
Ingredient ID: TCMC1352
| Common Name | Hydroxytyrosol |
| IUPAC Name | 4-(2-hydroxyethyl)benzene-1,2-diol |
| Canonical SMILES | OCCc1ccc(c(c1)O)O |
| Standard InCHI | InChI=1S/C8H10O3/c9-4-3-6-1-2-7(10)8(11)5-6/h1-2,5,9-11H,3-4H2 |
| Standard InCHIKey | JUUBCHWRXWPFFH-UHFFFAOYSA-N |
| External Identifiers | ChEMBL [CHEMBL1950045]; PubChem [82755]; |
| Reference of Component-Ingredient Pair | 23017390 |
Occurrence of the ingredient across TCM components
| Component ID | Latin Name | Pinyin Name | Chinese Name |
|---|---|---|---|
| TCMH1011 | Sargentodoxa cuneata | Huo Xue Teng | 活血藤 |
| TCMH1105 | Trollius chinensis | Jin Lian Hua | 金莲花 |
| TCMH1272 | Forsythia suspensa | Lian Qiao | 连翘 |
| TCMH1305 | Laggera alata | Liu Ling Ju | 六棱菊 |
| TCMH1597 | Ligustrum lucidum | Nv Zhen Zi | 女贞子 |
| TCMH1734 | Homo sapiens | Ren Zhong Bai | 人中白 |
| TCMH1766 | Sparganium stoloniferum | San Ling | 三棱 |
| TCMH1920 | Acorus tatarinowii | Shi Chang Pu | 石菖蒲 |
| TCMH1922 | Acorus tatarinowii | Shi Chang Pu Jin Gao | 石菖蒲浸膏 |
| TCMH1923 | Acorus tatarinowii | Shi Chang Pu Qing Gao | 石菖蒲清膏 |
Showing 1 to 10 of 12 entries
Ingredient ID: TCMC1293
Formula: C7H8O2
Ingredient ID: TCMC1293
| Common Name | Guaiacol |
| IUPAC Name | 2-methoxyphenol |
| Canonical SMILES | COc1ccccc1O |
| Standard InCHI | InChI=1S/C7H8O2/c1-9-7-5-3-2-4-6(7)8/h2-5,8H,1H3 |
| Standard InCHIKey | LHGVFZTZFXWLCP-UHFFFAOYSA-N |
| External Identifiers | ChEMBL [CHEMBL13766]; PubChem [460]; |
| Reference of Component-Ingredient Pair | 23449869 |
Occurrence of the ingredient across TCM components
| Component ID | Latin Name | Pinyin Name | Chinese Name |
|---|---|---|---|
| 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 |
| TCMH1721 | Panax ginseng | Ren Shen | 人参 |
| TCMH1728 | Panax ginseng | Ren Shen Ye | 人参叶 |
| TCMH1734 | Homo sapiens | Ren Zhong Bai | 人中白 |
| TCMH1792 | Morus alba | Sang Pi | 桑皮 |
| TCMH1797 | Morus alba | Sang Ye | 桑叶 |
| TCMH1798 | Morus alba | Sang Zhi | 桑枝 |
| TCMH1839 | Panax ginseng | Shan Shen | 山参 |
Showing 1 to 10 of 32 entries
Ingredient ID: TCMC1271
Formula: C2H5NO2
Ingredient ID: TCMC1271
| Common Name | Glycine |
| IUPAC Name | 2-aminoacetic acid |
| Canonical SMILES | NCC(=O)O |
| Standard InCHI | InChI=1S/C2H5NO2/c3-1-2(4)5/h1,3H2,(H,4,5) |
| Standard InCHIKey | DHMQDGOQFOQNFH-UHFFFAOYSA-N |
| External Identifiers | ChEMBL [CHEMBL773]; PubChem [750]; |
| Reference of Component-Ingredient Pair | N/A |
Occurrence of the ingredient across TCM components
| Component ID | Latin Name | Pinyin Name | Chinese Name |
|---|---|---|---|
| TCMH1008 | Pogostemon cablin | Huo Xiang | 藿香 |
| TCMH1009 | Pogostemon cablin | Huo Xiang Ye | 藿香叶 |
| TCMH1090 | Brassica juncea | Jie Zi | 芥子 |
| TCMH1175 | Cornus officinalis | Jiu Yu Rou | 酒萸肉 |
| TCMH1185 | Lycium chinense | Gou Qi | 枸杞 |
| TCMH1186 | Lycium chinense | Gou Qi Zi | 枸杞子 |
| TCMH130 | Pinellia ternata | Ban Xia | 半夏 |
| TCMH131 | Pinellia ternata | Ban Xia Qu | 半夏曲 |
| TCMH1322 | Solanum nigrum | Long Kui | 龙葵 |
| TCMH1677 | Pinellia ternata | Qing Ban Xia | 清半夏 |
Showing 1 to 10 of 36 entries
Ingredient ID: TCMC1209
Formula: C4H9NO2
Ingredient ID: TCMC1209
| Common Name | Gamma-Aminobutyric Acid |
| IUPAC Name | 4-aminobutanoic acid |
| Canonical SMILES | NCCCC(=O)O |
| Standard InCHI | InChI=1S/C4H9NO2/c5-3-1-2-4(6)7/h1-3,5H2,(H,6,7) |
| Standard InCHIKey | BTCSSZJGUNDROE-UHFFFAOYSA-N |
| External Identifiers | ChEMBL [CHEMBL96]; PubChem [119]; |
| Reference of Component-Ingredient Pair | 29968805 |
Occurrence of the ingredient across TCM components
| Component ID | Latin Name | Pinyin Name | Chinese Name |
|---|---|---|---|
| TCMH1185 | Lycium chinense | Gou Qi | 枸杞 |
| TCMH1186 | Lycium chinense | Gou Qi Zi | 枸杞子 |
| TCMH126 | Isatis indigotica | Ban Lan | 板蓝 |
| TCMH127 | Isatis indigotica | Ban Lan Gen | 板蓝根 |
| TCMH130 | Pinellia ternata | Ban Xia | 半夏 |
| TCMH131 | Pinellia ternata | Ban Xia Qu | 半夏曲 |
| TCMH1343 | Aloe vera | Lu Hui | 芦荟 |
| TCMH1510 | Isatis indigotica | Mu Ban Lan Gen | 木板蓝根 |
| TCMH1512 | Isatis indigotica | Mu Da Qing Ye | 木大青叶 |
| TCMH1575 | Bubalus bubalis | Niu Jiao Fen | 牛角粉 |
Showing 1 to 10 of 58 entries
Ingredient ID: TCMC1197
Formula: C5H4O2
Ingredient ID: TCMC1197
| Common Name | Furfural |
| IUPAC Name | furan-2-carbaldehyde |
| Canonical SMILES | O=Cc1ccco1 |
| Standard InCHI | InChI=1S/C5H4O2/c6-4-5-2-1-3-7-5/h1-4H |
| Standard InCHIKey | HYBBIBNJHNGZAN-UHFFFAOYSA-N |
| External Identifiers | ChEMBL [CHEMBL189362]; PubChem [7362]; |
| Reference of Component-Ingredient Pair | 23449869 |
Occurrence of the ingredient across TCM components
| Component ID | Latin Name | Pinyin Name | Chinese Name |
|---|---|---|---|
| TCMH1029 | Paederia scandens | Ji Shi Teng | 鸡矢藤 |
| TCMH1090 | Brassica juncea | Jie Zi | 芥子 |
| TCMH1127 | Lonicera japonica | Jin Yin Hua | 金银花 |
| TCMH1128 | Lonicera japonica | Jin Yin Hua Ti Qu Ye | 金银花提取液 |
| TCMH1158 | Ocimum basilicum | Jiu Ceng Ta | 九层塔 |
| TCMH1175 | Cornus officinalis | Jiu Yu Rou | 酒萸肉 |
| TCMH1178 | Citrus reticulata | Ju He | 橘核 |
| TCMH1184 | Citrus reticulata | Ju Pi | 橘皮 |
| TCMH1185 | Lycium chinense | Gou Qi | 枸杞 |
| TCMH1186 | Lycium chinense | Gou Qi Zi | 枸杞子 |
Showing 1 to 10 of 76 entries
Ingredient ID: TCMC1159
Formula: C10H12O2
Ingredient ID: TCMC1159
| Common Name | Eugenol |
| IUPAC Name | 2-methoxy-4-prop-2-enylphenol |
| Canonical SMILES | C=CCc1ccc(c(c1)OC)O |
| Standard InCHI | InChI=1S/C10H12O2/c1-3-4-8-5-6-9(11)10(7-8)12-2/h3,5-7,11H,1,4H2,2H3 |
| Standard InCHIKey | RRAFCDWBNXTKKO-UHFFFAOYSA-N |
| External Identifiers | ChEMBL [CHEMBL42710]; PubChem [3314]; |
| Reference of Component-Ingredient Pair | 29191726 |
Occurrence of the ingredient across TCM components
| Component ID | Latin Name | Pinyin Name | Chinese Name |
|---|---|---|---|
| TCMH1000 | Foeniculum vulgare | Hui Xiang | 茴香 |
| TCMH1005 | Cannabis sativa | Huo Ma Ren | 火麻仁 |
| TCMH1008 | Pogostemon cablin | Huo Xiang | 藿香 |
| TCMH1009 | Pogostemon cablin | Huo Xiang Ye | 藿香叶 |
| TCMH1064 | Coptis chinensis | Jiang Huang Lian | 姜黄连 |
| TCMH108 | Perilla frutescens | Bai Su Zi | 白苏子 |
| TCMH1127 | Lonicera japonica | Jin Yin Hua | 金银花 |
| TCMH1128 | Lonicera japonica | Jin Yin Hua Ti Qu Ye | 金银花提取液 |
| TCMH1158 | Ocimum basilicum | Jiu Ceng Ta | 九层塔 |
| TCMH1161 | Coptis chinensis | Jiu Huang Lian | 酒黄连 |
Showing 1 to 10 of 140 entries
Ingredient ID: TCMC1157
Formula: C10H18O
Ingredient ID: TCMC1157
| Common Name | Eucalyptol |
| IUPAC Name | 2,2,4-trimethyl-3-oxabicyclo[2.2.2]octane |
| Canonical SMILES | CC12CCC(CC1)C(O2)(C)C |
| Standard InCHI | InChI=1S/C10H18O/c1-9(2)8-4-6-10(3,11-9)7-5-8/h8H,4-7H2,1-3H3 |
| Standard InCHIKey | WEEGYLXZBRQIMU-UHFFFAOYSA-N |
| External Identifiers | ChEMBL [CHEMBL485259]; PubChem [2758]; |
| Reference of Component-Ingredient Pair | 26795242 |
Occurrence of the ingredient across TCM components
| Component ID | Latin Name | Pinyin Name | Chinese Name |
|---|---|---|---|
| TCMH1000 | Foeniculum vulgare | Hui Xiang | 茴香 |
| TCMH1063 | Curcuma longa | Jiang Huang | 姜黄 |
| TCMH108 | Perilla frutescens | Bai Su Zi | 白苏子 |
| TCMH1158 | Ocimum basilicum | Jiu Ceng Ta | 九层塔 |
| TCMH1181 | Chrysanthemum morifolium | Ju Hua | 菊花 |
| TCMH12 | Artemisia argyi | Ai Ye | 艾叶 |
| TCMH1215 | Sophora flavescens | Ku Shen | 苦参 |
| TCMH1225 | Valeriana officinalis | Kuan Ye Xie Cao | 宽叶缬草 |
| TCMH1277 | Alpinia officinarum | Liang Jiang | 良姜 |
| TCMH1290 | Ocimum basilicum | Ling Ling Xiang | 零陵香 |
Showing 1 to 10 of 109 entries
Ingredient ID: TCMC1150
Formula: C8H10
Ingredient ID: TCMC1150
| Common Name | Ethylbenzene |
| IUPAC Name | ethylbenzene |
| Canonical SMILES | CCc1ccccc1 |
| Standard InCHI | InChI=1S/C8H10/c1-2-8-6-4-3-5-7-8/h3-7H,2H2,1H3 |
| Standard InCHIKey | YNQLUTRBYVCPMQ-UHFFFAOYSA-N |
| External Identifiers | ChEMBL [CHEMBL371561]; PubChem [7500]; |
| Reference of Component-Ingredient Pair | 29217486 |
Occurrence of the ingredient across TCM components
| Component ID | Latin Name | Pinyin Name | Chinese Name |
|---|---|---|---|
| TCMH1063 | Curcuma longa | Jiang Huang | 姜黄 |
| TCMH1178 | Citrus reticulata | Ju He | 橘核 |
| TCMH1184 | Citrus reticulata | Ju Pi | 橘皮 |
| TCMH1518 | Chaenomeles sinensis | Mu Gua | 木瓜 |
| TCMH1734 | Homo sapiens | Ren Zhong Bai | 人中白 |
| TCMH1920 | Acorus tatarinowii | Shi Chang Pu | 石菖蒲 |
| TCMH1922 | Acorus tatarinowii | Shi Chang Pu Jin Gao | 石菖蒲浸膏 |
| TCMH1923 | Acorus tatarinowii | Shi Chang Pu Qing Gao | 石菖蒲清膏 |
| TCMH2333 | Cynanchum paniculatum | Xu Chang Qing | 徐长卿 |
| TCMH2551 | Polygonatum odoratum | Yu Zhu | 玉竹 |
Showing 1 to 10 of 15 entries
Ingredient ID: TCMC1134
Formula: C10H12O
Ingredient ID: TCMC1134
| Common Name | Estragole |
| IUPAC Name | 1-methoxy-4-prop-2-enylbenzene |
| Canonical SMILES | COc1ccc(cc1)CC=C |
| Standard InCHI | InChI=1S/C10H12O/c1-3-4-9-5-7-10(11-2)8-6-9/h3,5-8H,1,4H2,2H3 |
| Standard InCHIKey | ZFMSMUAANRJZFM-UHFFFAOYSA-N |
| External Identifiers | ChEMBL [CHEMBL470671]; PubChem [8815]; |
| Reference of Component-Ingredient Pair | 29191726 |
Occurrence of the ingredient across TCM components
| Component ID | Latin Name | Pinyin Name | Chinese Name |
|---|---|---|---|
| TCMH1000 | Foeniculum vulgare | Hui Xiang | 茴香 |
| TCMH1008 | Pogostemon cablin | Huo Xiang | 藿香 |
| TCMH1009 | Pogostemon cablin | Huo Xiang Ye | 藿香叶 |
| TCMH1211 | Melia azedarach | Ku Lian Pi | 苦楝皮 |
| TCMH1212 | Melia azedarach | Ku Lian Zi | 苦楝子 |
| TCMH1272 | Forsythia suspensa | Lian Qiao | 连翘 |
| TCMH143 | Albizia julibrissin | Bei He Huan | 北合欢 |
| TCMH1462 | Moschus moschiferus | Mao She Xiang | 毛麝香 |
| TCMH1463 | Moschus moschiferus | Mao She Xiang Jin Gao | 毛麝香浸膏 |
| TCMH1475 | Glycyrrhiza uralensis | Mi Gan Cao | 蜜甘草 |
Showing 1 to 10 of 58 entries
Ingredient ID: TCMC1105
Formula: C15H10O5
Ingredient ID: TCMC1105
| Common Name | Emodin |
| IUPAC Name | 1,3,8-trihydroxy-6-methylanthracene-9,10-dione |
| Canonical SMILES | Cc1cc(O)c2c(c1)C(=O)c1c(C2=O)c(O)cc(c1)O |
| Standard InCHI | InChI=1S/C15H10O5/c1-6-2-8-12(10(17)3-6)15(20)13-9(14(8)19)4-7(16)5-11(13)18/h2-5,16-18H,1H3 |
| Standard InCHIKey | RHMXXJGYXNZAPX-UHFFFAOYSA-N |
| External Identifiers | ChEMBL [CHEMBL289277]; PubChem [3220]; |
| Reference of Component-Ingredient Pair | 29045746 |
Occurrence of the ingredient across TCM components
| Component ID | Latin Name | Pinyin Name | Chinese Name |
|---|---|---|---|
| TCMH1117 | Rhizoma fagopyri cymosi | Jin Qiao Mai | 金荞麦 |
| TCMH1199 | Cassia tora | Jue Ming Zi | 决明子 |
| TCMH1214 | Picrasma quassioides | Ku Mu | 苦木 |
| TCMH1475 | Glycyrrhiza uralensis | Mi Gan Cao | 蜜甘草 |
| TCMH1490 | Aster tataricus | Mi Zi Wan | 蜜紫菀 |
| TCMH1589 | Rumex patientia | Niu Xi Xi | 牛西西 |
| TCMH1899 | Glycyrrhiza uralensis | Sheng Gan Cao | 生甘草 |
| TCMH1920 | Acorus tatarinowii | Shi Chang Pu | 石菖蒲 |
| TCMH1922 | Acorus tatarinowii | Shi Chang Pu Jin Gao | 石菖蒲浸膏 |
| TCMH1923 | Acorus tatarinowii | Shi Chang Pu Qing Gao | 石菖蒲清膏 |
Showing 1 to 10 of 39 entries
Ingredient ID: TCMC1031
Formula: C16H22O4
Ingredient ID: TCMC1031
| Common Name | Dibutyl Phthalate |
| IUPAC Name | dibutyl benzene-1,2-dicarboxylate |
| Canonical SMILES | CCCCOC(=O)c1ccccc1C(=O)OCCCC |
| Standard InCHI | InChI=1S/C16H22O4/c1-3-5-11-19-15(17)13-9-7-8-10-14(13)16(18)20-12-6-4-2/h7-10H,3-6,11-12H2,1-2H3 |
| Standard InCHIKey | DOIRQSBPFJWKBE-UHFFFAOYSA-N |
| External Identifiers | ChEMBL [CHEMBL272485]; PubChem [3026]; |
| Reference of Component-Ingredient Pair | 29385629 |
Occurrence of the ingredient across TCM components
| Component ID | Latin Name | Pinyin Name | Chinese Name |
|---|---|---|---|
| TCMH1008 | Pogostemon cablin | Huo Xiang | 藿香 |
| TCMH1009 | Pogostemon cablin | Huo Xiang Ye | 藿香叶 |
| TCMH1175 | Cornus officinalis | Jiu Yu Rou | 酒萸肉 |
| TCMH12 | Artemisia argyi | Ai Ye | 艾叶 |
| TCMH1223 | Tussilago farfara | Kuan Dong Hua | 款冬花 |
| TCMH1264 | Litchi chinensis | Li Zhi He | 荔枝核 |
| TCMH1275 | Nelumbo nucifera | Lian Zi | 莲子 |
| TCMH1276 | Nelumbo nucifera | Lian Zi Xin | 莲子心 |
| TCMH13 | Artemisia argyi | Ai Ye You | 艾叶油 |
| TCMH1437 | Rhododendron dauricum | Man Shan Hong | 满山红 |
Showing 1 to 10 of 57 entries
Ingredient ID: TCMC1023
Formula: C5H9NO4
Ingredient ID: TCMC1023
| Common Name | D-Glutamate |
| IUPAC Name | (2R)-2-aminopentanedioic acid |
| Canonical SMILES | OC(=O)CC[C@H](C(=O)O)N |
| Standard InCHI | InChI=1S/C5H9NO4/c6-3(5(9)10)1-2-4(7)8/h3H,1-2,6H2,(H,7,8)(H,9,10)/t3-/m1/s1 |
| Standard InCHIKey | WHUUTDBJXJRKMK-GSVOUGTGSA-N |
| External Identifiers | ChEMBL [CHEMBL76232]; PubChem [23327]; |
| Reference of Component-Ingredient Pair | 29042214 |
Occurrence of the ingredient across TCM components
| Component ID | Latin Name | Pinyin Name | Chinese Name |
|---|---|---|---|
| TCMH1090 | Brassica juncea | Jie Zi | 芥子 |
| TCMH1223 | Tussilago farfara | Kuan Dong Hua | 款冬花 |
| TCMH1483 | Tussilago farfara | Mi Kuan Dong Hua | 蜜款冬花 |
| TCMH1584 | Achyranthes bidentata | Niu Teng | 牛藤 |
| TCMH1588 | Achyranthes bidentata | Niu Xi | 牛膝 |
| TCMH1734 | Homo sapiens | Ren Zhong Bai | 人中白 |
| TCMH1920 | Acorus tatarinowii | Shi Chang Pu | 石菖蒲 |
| TCMH1922 | Acorus tatarinowii | Shi Chang Pu Jin Gao | 石菖蒲浸膏 |
| TCMH1923 | Acorus tatarinowii | Shi Chang Pu Qing Gao | 石菖蒲清膏 |
| TCMH2710 | Homo sapiens | Zi He Che | 紫河车 |
Showing 1 to 10 of 12 entries
Properties
| Ingredient ID | Formulae | Name | MW | AlogP | MlogP | XlogP | # HBA | # HBD | PSA | # Rotatable Bond | # Ring | # Heacy Atom | Lipinski RO5 Violation |
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| TCMC1023 | C5H9NO4 | D-Glutamate | 147.05 | -1.6398 | 1.46 | -3.349 | 5 | 3 | 100.62 | 7 | 0 | 10 | 0 |
| TCMC1031 | C16H22O4 | Dibutyl Phthalate | 278.15 | -1.2084 | 2.78 | 5.034 | 4 | 0 | 52.6 | 12 | 1 | 20 | 1 |
| TCMC1105 | C15H10O5 | Emodin | 270.05 | -1.2665 | 2.56 | 0.664 | 2 | 3 | 94.83 | 4 | 3 | 20 | 0 |
| TCMC1134 | C10H12O | Estragole | 148.09 | 0.9769 | 2.45 | 3.658 | 0 | 0 | 9.23 | 4 | 1 | 11 | 0 |
| TCMC1150 | C8H10 | Ethylbenzene | 106.08 | 0.3069 | 2.34 | 4.954 | 0 | 0 | 0 | 2 | 1 | 8 | 0 |
| TCMC1157 | C10H18O | Eucalyptol | 154.14 | 1.3109 | 2.45 | 2.595 | 1 | 0 | 9.23 | 3 | 0 | 11 | 0 |
| TCMC1159 | C10H12O2 | Eugenol | 164.08 | 0.5166 | 2.34 | 2.484 | 0 | 1 | 29.46 | 5 | 1 | 12 | 0 |
| TCMC1197 | C5H4O2 | Furfural | 96.02 | -0.3465 | 1.79 | 1.057 | 1 | 0 | 30.21 | 1 | 1 | 7 | 0 |
| TCMC1209 | C4H9NO2 | Gamma-Aminobutyric Acid | 103.06 | -1.2313 | 1.57 | -0.668 | 3 | 2 | 63.32 | 5 | 0 | 7 | 0 |
| TCMC1271 | C2H5NO2 | Glycine | 75.03 | -1.1915 | 1.35 | -3.35 | 3 | 2 | 63.32 | 3 | 0 | 5 | 0 |
Showing 1 to 10 of 64 entries
Download Data
All data can be downloaded by:→ Selecting data type in the below download table
→ Then click the download button.
