Description of the Component
Component ID |
TCMH1562 |
Latin Name |
Arctium lappa |
English Name |
Great burdock fruit |
Chinese Pinyin Name |
Niu Bang Zi |
中文名 |
牛蒡子 |
TCM Properties |
Cold,Pungent,Bitter |
TCM Meridians |
Lung,Stomach |
Therapeutic Class English |
For relieving exterior syndrome |
Therapeutic Class Chinese |
解表 |
Functions |
dispel wind-heat and relieve cough, promote eruption, counteract toxicity, and soothe sore throat |
Toxicity |
NA |
Geo-authentic habitats (道地产区) |
Zhejiang Province |
Reference |
Chinese Pharmacopoeia (2015) |
Barcode ID |
ITSAI1776-14 |
Barcode Source |
BOLDSYSTEMS |
TCM Prescriptions with the Component
| Prescription ID | Prescription English Name | Prescription Chinese Name |
|---|---|---|
| TCMF1028 | Yin Qiao Shang Feng Capsule | 银翘伤风胶囊 |
| TCMF1057 | Yin Qiao Jie Du Tablet | 银翘解毒片 |
| TCMF1058 | Yin Qiao Jie Du Ruan Capsule | 银翘解毒软胶囊 |
| TCMF1059 | Yin Qiao Jie Du Capsule | 银翘解毒胶囊 |
| TCMF1060 | Yin Qiao Jie Du Granules | 银翘解毒颗粒 |
| TCMF1094 | Wei C Yin Qiao Tablet | 维C银翘片 |
| TCMF1153 | Gan Mao Shu Granules | 感冒舒颗粒 |
| TCMF1339 | Antitoxic Bolus of Honeysuckle Flower and Forsythia; Lonicera Poison Relieving Pill | 银翘解毒丸 |
| TCMF1359 | Powder of Linicerae and Forsythiae; Lonicera Powder | 银翘散 |
| TCMF1413 | Lusika Pills | 鹭鸶咯丸 |
Showing 1 to 10 of 124 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 |
| TCMT100 | TTR | Transthyretin | Unclassified | P02766 |
| TCMT101 | PTPN1 | Protein-tyrosine phosphatase 1B | Hydrolase | P18031 |
| TCMT102 | ACP1 | Low molecular weight phosphotyrosine protein phosphatase | Hydrolase | P24666 |
| TCMT103 | PTPRF | Receptor-type tyrosine-protein phosphatase F (LAR) | Hydrolase | P10586 |
| TCMT11 | HIF1A | Hypoxia-inducible factor 1 alpha | Transcription factor | Q16665 |
| TCMT112 | ADORA3 | Adenosine A3 receptor | GPCR | P0DMS8 |
| TCMT125 | GBA | Beta-glucocerebrosidase | Hydrolase | P04062 |
| TCMT127 | PARP1 | Poly [ADP-ribose] polymerase-1 | Transferase | P09874 |
| TCMT128 | TNKS2 | Tankyrase-2 | Transferase | Q9H2K2 |
Showing 1 to 10 of 134 entries
Targeted Pathogenic Microbes by the Ingredient of Component
| Target ID | Target Name |
|---|---|
| TCMT1090 | Human immunodeficiency virus type 1 integrase |
| TCMT1092 | Fatty acid synthase |
| TCMT1093 | Enoyl-acyl-carrier protein reductase |
| TCMT1094 | 3-oxoacyl-acyl-carrier protein reductase |
| TCMT1099 | Neuraminidase |
| TCMT1104 | Sortase |
| TCMT1107 | Protease |
| TCMT1108 | Integrase |
| TCMT1109 | Reverse transcriptase |
| TCMT1121 | Sialidase |
Showing 1 to 10 of 39 entries
Ingredient Structrues
Ingredient ID: TCMC995
Formula: C35H60O6
Ingredient ID: TCMC995
| Common Name | Daucosterol |
| IUPAC Name | (2R,3R,4S,5S,6R)-2-[[(3S,8S,9S,10R,13R,14S,17R)-17-[(2R,5R)-5-ethyl-6-methylheptan-2-yl]-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl]oxy]-6-(hydroxymethyl)oxane-3,4,5-triol |
| Canonical SMILES | CC[C@@H](C(C)C)CC[C@H]([C@H]1CC[C@@H]2[C@]1(C)CC[C@H]1[C@H]2CC=C2[C@]1(C)CC[C@@H](C2)O[C@@H]1O[C@H](CO)[C@H]([C@@H]([C@H]1O)O)O)C |
| Standard InCHI | InChI=1S/C35H60O6/c1-7-22(20(2)3)9-8-21(4)26-12-13-27-25-11-10-23-18-24(14-16-34(23,5)28(25)15-17-35(26,27)6)40-33-32(39)31(38)30(37)29(19-36)41-33/h10,20-22,24-33,36-39H,7-9,11-19H2,1-6H3/t21-,22-,24+,25+,26-,27+,28+,29-,30-,31+,32-,33-,34+,35-/m1/s1 |
| Standard InCHIKey | NPJICTMALKLTFW-OFUAXYCQSA-N |
| External Identifiers | ChEMBL [CHEMBL506678]; PubChem [5742590]; |
| Reference of Component-Ingredient Pair | 16261518 |
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 |
| TCMH1011 | Sargentodoxa cuneata | Huo Xue Teng | 活血藤 |
| TCMH1032 | Impatiens balsamina | Ji Xing Zi | 急性子 |
| TCMH1033 | Centella asiatica | Ji Xue Cao | 积雪草 |
| TCMH1036 | Spatholobus suberectus | Ji Xue Teng | 鸡血藤 |
| TCMH1037 | Spatholobus suberectus | Ji Xue Teng Gan Gao | 鸡血藤干膏 |
| TCMH1038 | Spatholobus suberectus | Ji Xue Teng Gao | 鸡血藤膏 |
| TCMH1078 | Fructus gardeniae preparata | Jiao Shan Zhi | 焦山栀 |
| TCMH108 | Perilla frutescens | Bai Su Zi | 白苏子 |
Showing 1 to 10 of 223 entries
Ingredient ID: TCMC922
Formula: C10H16O
Ingredient ID: TCMC922
| Common Name | Citral |
| IUPAC Name | (2E)-3,7-dimethylocta-2,6-dienal |
| Canonical SMILES | O=C/C=C(/CCC=C(C)C)C |
| Standard InCHI | InChI=1S/C10H16O/c1-9(2)5-4-6-10(3)7-8-11/h5,7-8H,4,6H2,1-3H3/b10-7+ |
| Standard InCHIKey | WTEVQBCEXWBHNA-JXMROGBWSA-N |
| External Identifiers | ChEMBL [CHEMBL1080997]; PubChem [638011]; |
| Reference of Component-Ingredient Pair | 29968805 |
Occurrence of the ingredient across TCM components
| Component ID | Latin Name | Pinyin Name | Chinese Name |
|---|---|---|---|
| TCMH1063 | Curcuma longa | Jiang Huang | 姜黄 |
| TCMH1065 | Cortex zingiberis | Jiang Pi | 姜皮 |
| TCMH108 | Perilla frutescens | Bai Su Zi | 白苏子 |
| TCMH1178 | Citrus reticulata | Ju He | 橘核 |
| TCMH1184 | Citrus reticulata | Ju Pi | 橘皮 |
| TCMH12 | Artemisia argyi | Ai Ye | 艾叶 |
| TCMH1219 | Semen armeniacae amarum | Ku Xing Ren | 苦杏仁 |
| TCMH1272 | Forsythia suspensa | Lian Qiao | 连翘 |
| TCMH13 | Artemisia argyi | Ai Ye You | 艾叶油 |
| TCMH1562 | Arctium lappa | Niu Bang Zi | 牛蒡子 |
Showing 1 to 10 of 65 entries
Ingredient ID: TCMC9
Formula: C24H30O8
Ingredient ID: TCMC9
| Common Name | (-)-Cubebininolide |
| IUPAC Name | (3R,4R)-3,4-bis[(3,4,5-trimethoxyphenyl)methyl]oxolan-2-one |
| Canonical SMILES | COc1c(OC)cc(cc1OC)C[C@H]1C(=O)OC[C@@H]1Cc1cc(OC)c(c(c1)OC)OC |
| Standard InCHI | InChI=1S/C24H30O8/c1-26-18-9-14(10-19(27-2)22(18)30-5)7-16-13-32-24(25)17(16)8-15-11-20(28-3)23(31-6)21(12-15)29-4/h9-12,16-17H,7-8,13H2,1-6H3/t16-,17+/m0/s1 |
| Standard InCHIKey | VUNCHONBJWJYID-DLBZAZTESA-N |
| External Identifiers | ChEMBL [CHEMBL479314]; PubChem [13916150]; |
| Reference of Component-Ingredient Pair | N/A |
Occurrence of the ingredient across TCM components
Ingredient ID: TCMC897
Formula: C16H18O9
Ingredient ID: TCMC897
| Common Name | Chlorogenic Acid |
| IUPAC Name | (1S,3R,4R,5R)-3-[(E)-3-(3,4-dihydroxyphenyl)prop-2-enoyl]oxy-1,4,5-trihydroxycyclohexane-1-carboxylic acid |
| Canonical SMILES | O=C(O[C@@H]1C[C@@](O)(C[C@H]([C@H]1O)O)C(=O)O)/C=C/c1ccc(c(c1)O)O |
| Standard InCHI | InChI=1S/C16H18O9/c17-9-3-1-8(5-10(9)18)2-4-13(20)25-12-7-16(24,15(22)23)6-11(19)14(12)21/h1-5,11-12,14,17-19,21,24H,6-7H2,(H,22,23)/b4-2+/t11-,12-,14-,16+/m1/s1 |
| Standard InCHIKey | CWVRJTMFETXNAD-JUHZACGLSA-N |
| External Identifiers | ChEMBL [CHEMBL284616]; PubChem [1794427]; |
| Reference of Component-Ingredient Pair | 29136249 |
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 |
| TCMH1011 | Sargentodoxa cuneata | Huo Xue Teng | 活血藤 |
| TCMH1025 | Loropetalum chinense | Ji Mu Ye Jin Gao | 继木叶浸膏 |
| TCMH1033 | Centella asiatica | Ji Xue Cao | 积雪草 |
| TCMH1064 | Coptis chinensis | Jiang Huang Lian | 姜黄连 |
| TCMH108 | Perilla frutescens | Bai Su Zi | 白苏子 |
| TCMH1096 | Inula japonica | Jin Fei Cao | 金沸草 |
| TCMH1127 | Lonicera japonica | Jin Yin Hua | 金银花 |
Showing 1 to 10 of 197 entries
Ingredient ID: TCMC847
Formula: C9H8O4
Ingredient ID: TCMC847
| Common Name | Caffeic Acid |
| IUPAC Name | (E)-3-(3,4-dihydroxyphenyl)prop-2-enoic acid |
| Canonical SMILES | OC(=O)/C=C/c1ccc(c(c1)O)O |
| Standard InCHI | InChI=1S/C9H8O4/c10-7-3-1-6(5-8(7)11)2-4-9(12)13/h1-5,10-11H,(H,12,13)/b4-2+ |
| Standard InCHIKey | QAIPRVGONGVQAS-DUXPYHPUSA-N |
| External Identifiers | ChEMBL [CHEMBL145]; PubChem [689043]; |
| Reference of Component-Ingredient Pair | 25130191 |
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 |
| TCMH101 | Chelidonium majus | Bai Qu Cai | 白屈菜 |
| TCMH1033 | Centella asiatica | Ji Xue Cao | 积雪草 |
| TCMH108 | Perilla frutescens | Bai Su Zi | 白苏子 |
| TCMH1090 | Brassica juncea | Jie Zi | 芥子 |
| TCMH1096 | Inula japonica | Jin Fei Cao | 金沸草 |
| TCMH1099 | Gymnema sylvestre | Jin Gang Teng | 金刚藤 |
| TCMH1100 | Gymnema sylvestre | Jin Gang Tou | 金刚头 |
| TCMH1127 | Lonicera japonica | Jin Yin Hua | 金银花 |
Showing 1 to 10 of 177 entries
Ingredient ID: TCMC801
Formula: C29H50O
Ingredient ID: TCMC801
| Common Name | Beta-Sitosterol |
| IUPAC Name | (3S,8S,9S,10R,13R,14S,17R)-17-[(2R,5R)-5-ethyl-6-methylheptan-2-yl]-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-ol |
| Canonical SMILES | CC[C@@H](C(C)C)CC[C@H]([C@H]1CC[C@@H]2[C@]1(C)CC[C@H]1[C@H]2CC=C2[C@]1(C)CC[C@@H](C2)O)C |
| Standard InCHI | InChI=1S/C29H50O/c1-7-21(19(2)3)9-8-20(4)25-12-13-26-24-11-10-22-18-23(30)14-16-28(22,5)27(24)15-17-29(25,26)6/h10,19-21,23-27,30H,7-9,11-18H2,1-6H3/t20-,21-,23+,24+,25-,26+,27+,28+,29-/m1/s1 |
| Standard InCHIKey | KZJWDPNRJALLNS-VJSFXXLFSA-N |
| External Identifiers | ChEMBL [CHEMBL221542]; PubChem [222284]; |
| Reference of Component-Ingredient Pair | 24130033 |
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 |
| TCMH1011 | Sargentodoxa cuneata | Huo Xue Teng | 活血藤 |
| TCMH1017 | Oxytropis myriophylla | Ji Dou | 棘豆 |
| TCMH1032 | Impatiens balsamina | Ji Xing Zi | 急性子 |
| TCMH1033 | Centella asiatica | Ji Xue Cao | 积雪草 |
| TCMH1045 | Piper sarmentosum | Jia Ju | 假蒟 |
| TCMH1051 | Piper sarmentosum | Jia 蒟ye | 假蒟叶 |
| TCMH1063 | Curcuma longa | Jiang Huang | 姜黄 |
| TCMH1064 | Coptis chinensis | Jiang Huang Lian | 姜黄连 |
Showing 1 to 10 of 331 entries
Ingredient ID: TCMC761
Formula: C7H6O
Ingredient ID: TCMC761
| Common Name | Benzaldehyde |
| IUPAC Name | benzaldehyde |
| Canonical SMILES | O=Cc1ccccc1 |
| Standard InCHI | InChI=1S/C7H6O/c8-6-7-4-2-1-3-5-7/h1-6H |
| Standard InCHIKey | HUMNYLRZRPPJDN-UHFFFAOYSA-N |
| External Identifiers | ChEMBL [CHEMBL15972]; PubChem [240]; |
| Reference of Component-Ingredient Pair | 23043335 |
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 |
| 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 |
| TCMH114 | Platycladus orientalis | Bai Ye | 柏叶 |
| TCMH1142 | Schizonepetae spica | Jing Jie Sui | 荆芥穗 |
Showing 1 to 10 of 105 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: TCMC718
Formula: C21H24O6
Ingredient ID: TCMC718
| Common Name | Arctigenin |
| IUPAC Name | (3R,4R)-4-[(3,4-dimethoxyphenyl)methyl]-3-[(4-hydroxy-3-methoxyphenyl)methyl]oxolan-2-one |
| Canonical SMILES | COc1cc(ccc1OC)C[C@H]1COC(=O)[C@@H]1Cc1ccc(c(c1)OC)O |
| Standard InCHI | InChI=1S/C21H24O6/c1-24-18-7-5-13(11-20(18)26-3)8-15-12-27-21(23)16(15)9-14-4-6-17(22)19(10-14)25-2/h4-7,10-11,15-16,22H,8-9,12H2,1-3H3/t15-,16+/m0/s1 |
| Standard InCHIKey | NQWVSMVXKMHKTF-JKSUJKDBSA-N |
| External Identifiers | ChEMBL [CHEMBL435734]; PubChem [64981]; |
| Reference of Component-Ingredient Pair | 21435270 |
Occurrence of the ingredient across TCM components
| Component ID | Latin Name | Pinyin Name | Chinese Name |
|---|---|---|---|
| TCMH1272 | Forsythia suspensa | Lian Qiao | 连翘 |
| TCMH1283 | Wikstroemia indica | Liao Ge Wang | 了哥王 |
| TCMH1376 | Trachelospermum jasminoides | Luo Shi Teng | 络石藤 |
| TCMH1562 | Arctium lappa | Niu Bang Zi | 牛蒡子 |
| TCMH2213 | Ipomoea cairica | Wu Zhao Long | 五爪龙 |
| TCMH2378 | Daphne genkwa | Yuan Hua | 芫花 |
| TCMH2379 | Daphne genkwa | Yuan Hua Gen | 芫花根 |
| TCMH2380 | Daphne genkwa | Yuan Hua Tiao | 芫花条 |
| TCMH2381 | Daphne genkwa | Yuan Hua Zhi Tiao | 芫花枝条 |
| TCMH2457 | Rosa canina | Ye Mei Gui Guo | 野玫瑰果 |
Showing 1 to 10 of 11 entries
Ingredient ID: TCMC6761
Formula: C30H32O9
Ingredient ID: TCMC6761
| Common Name | Lappaol A |
| IUPAC Name | (3R,4R)-4-[[(2S,3R)-2-(4-hydroxy-3-methoxyphenyl)-3-(hydroxymethyl)-7-methoxy-2,3-dihydro-1-benzofuran-5-yl]methyl]-3-[(4-hydroxy-3-methoxyphenyl)methyl]oxolan-2-one |
| Canonical SMILES | COc1cc(C[C@H]2COC(=O)[C@@H]2Cc2ccc(c(c2)OC)O)cc2c1O[C@@H]([C@H]2CO)c1ccc(c(c1)OC)O |
| Standard InCHI | InChI=1S/C30H32O9/c1-35-25-11-16(4-6-23(25)32)9-20-19(15-38-30(20)34)8-17-10-21-22(14-31)28(39-29(21)27(12-17)37-3)18-5-7-24(33)26(13-18)36-2/h4-7,10-13,19-20,22,28,31-33H,8-9,14-15H2,1-3H3/t19-,20+,22-,28+/m0/s1 |
| Standard InCHIKey | PYLYQTVVQXPBIJ-OUZJQUPYSA-N |
| External Identifiers | ChEMBL [N/A]; PubChem [46173976]; |
| Reference of Component-Ingredient Pair | 21322946 |
Occurrence of the ingredient across TCM components
Ingredient ID: TCMC670
Formula: C21H22O6
Ingredient ID: TCMC670
| Common Name | Alpha-Methylcubebin |
| IUPAC Name | 5-[[(2R,3R,4R)-4-(1,3-benzodioxol-5-ylmethyl)-2-methoxyoxolan-3-yl]methyl]-1,3-benzodioxole |
| Canonical SMILES | CO[C@@H]1OC[C@@H]([C@H]1Cc1ccc2c(c1)OCO2)Cc1ccc2c(c1)OCO2 |
| Standard InCHI | InChI=1S/C21H22O6/c1-22-21-16(7-14-3-5-18-20(9-14)27-12-25-18)15(10-23-21)6-13-2-4-17-19(8-13)26-11-24-17/h2-5,8-9,15-16,21H,6-7,10-12H2,1H3/t15-,16+,21+/m0/s1 |
| Standard InCHIKey | UUUXPUGZNDRYSV-GCKMJXCFSA-N |
| External Identifiers | ChEMBL [CHEMBL520915]; PubChem [44575384]; |
| Reference of Component-Ingredient Pair | 15568798 |
Occurrence of the ingredient across TCM components
Ingredient ID: TCMC607
Formula: C2H4O
Ingredient ID: TCMC607
| Common Name | Acetaldehyde |
| IUPAC Name | acetaldehyde |
| Canonical SMILES | CC=O |
| Standard InCHI | InChI=1S/C2H4O/c1-2-3/h2H,1H3 |
| Standard InCHIKey | IKHGUXGNUITLKF-UHFFFAOYSA-N |
| External Identifiers | ChEMBL [CHEMBL170365]; PubChem [177]; |
| Reference of Component-Ingredient Pair | 22980827 |
Occurrence of the ingredient across TCM components
| Component ID | Latin Name | Pinyin Name | Chinese Name |
|---|---|---|---|
| TCMH1153 | Vinum | Jiu | 酒 |
| TCMH1343 | Aloe vera | Lu Hui | 芦荟 |
| TCMH1562 | Arctium lappa | Niu Bang Zi | 牛蒡子 |
| TCMH1734 | Homo sapiens | Ren Zhong Bai | 人中白 |
| TCMH1903 | Zingiber officinale | Sheng Jiang | 生姜 |
| TCMH2624 | Anemarrhena asphodeloides | Zhi Mu | 知母 |
| TCMH2710 | Homo sapiens | Zi He Che | 紫河车 |
| TCMH382 | Allium sativum | Da Suan | 大蒜 |
| TCMH924 | Zanthoxylum bungeanum | Hua Jiao | 花椒 |
Showing 1 to 9 of 9 entries
Ingredient ID: TCMC4645
Formula: C21H24O6
Ingredient ID: TCMC4645
| Common Name | Isoarctigenin |
| IUPAC Name | (3S,4R)-4-[(3,4-dimethoxyphenyl)methyl]-3-[(4-hydroxy-3-methoxyphenyl)methyl]oxolan-2-one |
| Canonical SMILES | COc1cc(ccc1OC)C[C@H]1COC(=O)[C@H]1Cc1ccc(c(c1)OC)O |
| Standard InCHI | InChI=1S/C21H24O6/c1-24-18-7-5-13(11-20(18)26-3)8-15-12-27-21(23)16(15)9-14-4-6-17(22)19(10-14)25-2/h4-7,10-11,15-16,22H,8-9,12H2,1-3H3/t15-,16-/m0/s1 |
| Standard InCHIKey | NQWVSMVXKMHKTF-HOTGVXAUSA-N |
| External Identifiers | ChEMBL [N/A]; PubChem [5318509]; |
| Reference of Component-Ingredient Pair | N/A |
Occurrence of the ingredient across TCM components
Ingredient ID: TCMC464
Formula: C14H22O
Ingredient ID: TCMC464
| Common Name | 4-(2,4,4-Trimethylpentan-2-Yl)Phenol |
| IUPAC Name | 4-(2,4,4-trimethylpentan-2-yl)phenol |
| Canonical SMILES | CC(c1ccc(cc1)O)(CC(C)(C)C)C |
| Standard InCHI | InChI=1S/C14H22O/c1-13(2,3)10-14(4,5)11-6-8-12(15)9-7-11/h6-9,15H,10H2,1-5H3 |
| Standard InCHIKey | ISAVYTVYFVQUDY-UHFFFAOYSA-N |
| External Identifiers | ChEMBL [CHEMBL259327]; PubChem [8814]; |
| Reference of Component-Ingredient Pair | N/A |
Occurrence of the ingredient across TCM components
Ingredient ID: TCMC4236
Formula: C42H46O12
Ingredient ID: TCMC4236
| Common Name | Neoarctin B |
| IUPAC Name | (3R,4R)-3-[(4-hydroxy-3,5-dimethoxyphenyl)methyl]-4-[[4-[4-[[(3R,4R)-4-[(4-hydroxy-3,5-dimethoxyphenyl)methyl]-5-oxooxolan-3-yl]methyl]-2-methoxyphenyl]-3-methoxyphenyl]methyl]oxolan-2-one |
| Canonical SMILES | COc1cc(ccc1c1ccc(cc1OC)C[C@H]1COC(=O)[C@@H]1Cc1cc(OC)c(c(c1)OC)O)C[C@H]1COC(=O)[C@@H]1Cc1cc(OC)c(c(c1)OC)O |
| Standard InCHI | InChI=1S/C42H46O12/c1-47-33-15-23(11-27-21-53-41(45)31(27)13-25-17-35(49-3)39(43)36(18-25)50-4)7-9-29(33)30-10-8-24(16-34(30)48-2)12-28-22-54-42(46)32(28)14-26-19-37(51-5)40(44)38(20-26)52-6/h7-10,15-20,27-28,31-32,43-44H,11-14,21-22H2,1-6H3/t27-,28-,31+,32+/m0/s1 |
| Standard InCHIKey | TYEFCPJCPSRVMT-DSOCELCXSA-N |
| External Identifiers | ChEMBL [N/A]; PubChem [3083466]; |
| Reference of Component-Ingredient Pair | 8030415 |
Occurrence of the ingredient across TCM components
Ingredient ID: TCMC3375
Formula: C27H34O11
Ingredient ID: TCMC3375
| Common Name | Arctiin |
| IUPAC Name | (3R,4R)-4-[(3,4-dimethoxyphenyl)methyl]-3-[[3-methoxy-4-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]methyl]oxolan-2-one |
| Canonical SMILES | OC[C@H]1O[C@@H](Oc2ccc(cc2OC)C[C@H]2C(=O)OC[C@@H]2Cc2ccc(c(c2)OC)OC)[C@@H]([C@H]([C@@H]1O)O)O |
| Standard InCHI | InChI=1S/C27H34O11/c1-33-18-6-4-14(10-20(18)34-2)8-16-13-36-26(32)17(16)9-15-5-7-19(21(11-15)35-3)37-27-25(31)24(30)23(29)22(12-28)38-27/h4-7,10-11,16-17,22-25,27-31H,8-9,12-13H2,1-3H3/t16-,17+,22+,23+,24-,25+,27+/m0/s1 |
| Standard InCHIKey | XOJVHLIYNSOZOO-SWOBOCGESA-N |
| External Identifiers | ChEMBL [CHEMBL388452]; PubChem [100528]; |
| Reference of Component-Ingredient Pair | 21031625 |
Occurrence of the ingredient across TCM components
Ingredient ID: TCMC2458
Formula: C35H58O6
Ingredient ID: TCMC2458
| Common Name | Stigmasterol Glucoside |
| IUPAC Name | (2R,3R,4S,5S,6R)-2-[[(3S,8S,9S,10R,13R,14S,17R)-17-[(E,2R,5S)-5-ethyl-6-methylhept-3-en-2-yl]-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl]oxy]-6-(hydroxymethyl)oxane-3,4,5-triol |
| Canonical SMILES | CC[C@@H](C(C)C)/C=C/[C@H]([C@H]1CC[C@@H]2[C@]1(C)CC[C@H]1[C@H]2CC=C2[C@]1(C)CC[C@@H](C2)O[C@@H]1O[C@H](CO)[C@H]([C@@H]([C@H]1O)O)O)C |
| Standard InCHI | InChI=1S/C35H58O6/c1-7-22(20(2)3)9-8-21(4)26-12-13-27-25-11-10-23-18-24(14-16-34(23,5)28(25)15-17-35(26,27)6)40-33-32(39)31(38)30(37)29(19-36)41-33/h8-10,20-22,24-33,36-39H,7,11-19H2,1-6H3/b9-8+/t21-,22-,24+,25+,26-,27+,28+,29-,30-,31+,32-,33-,34+,35-/m1/s1 |
| Standard InCHIKey | VWDLOXMZIGUBKM-AUGXRQBFSA-N |
| External Identifiers | ChEMBL [CHEMBL447335]; PubChem [6602508]; |
| Reference of Component-Ingredient Pair | 16261518 |
Occurrence of the ingredient across TCM components
| Component ID | Latin Name | Pinyin Name | Chinese Name |
|---|---|---|---|
| TCMH1562 | Arctium lappa | Niu Bang Zi | 牛蒡子 |
| TCMH213 | Boschniakia rossica | Cao Cong Rong | 草苁蓉 |
| TCMH2513 | Rhododendron mucronulatum | Ying Shan Hong | 映山红 |
| TCMH270 | Clerodendrum trichotomum | Chou Wu Tong | 臭梧桐 |
| TCMH271 | Clerodendrum trichotomum | Chou Wu Tong Ye | 臭梧桐叶 |
| TCMH273 | Fritillaria cirrhosa | Chuan Bei Mu | 川贝母 |
| TCMH274 | Fritillaria cirrhosa | Chuan Bei Mu Liu Jin Gao | 川贝母流浸膏 |
| TCMH287 | Clematidis armandii caulis | Chuan Mu Tong | 川木通 |
| TCMH600 | Euonymus fortunei | Fu Fang Teng | 扶芳藤 |
Showing 1 to 9 of 9 entries
Ingredient ID: TCMC2290
Formula: C25H24O12
Ingredient ID: TCMC2290
| Common Name | Cynarin |
| IUPAC Name | (1R,3R,4S,5R)-1,3-bis[[(E)-3-(3,4-dihydroxyphenyl)prop-2-enoyl]oxy]-4,5-dihydroxycyclohexane-1-carboxylic acid |
| Canonical SMILES | O=C(O[C@@H]1C[C@](OC(=O)/C=C/c2ccc(c(c2)O)O)(C[C@H]([C@@H]1O)O)C(=O)O)/C=C/c1ccc(c(c1)O)O |
| Standard InCHI | InChI=1S/C25H24O12/c26-15-5-1-13(9-17(15)28)3-7-21(31)36-20-12-25(24(34)35,11-19(30)23(20)33)37-22(32)8-4-14-2-6-16(27)18(29)10-14/h1-10,19-20,23,26-30,33H,11-12H2,(H,34,35)/b7-3+,8-4+/t19-,20-,23+,25-/m1/s1 |
| Standard InCHIKey | YDDUMTOHNYZQPO-RVXRWRFUSA-N |
| External Identifiers | ChEMBL [CHEMBL487258]; PubChem [5281769]; |
| 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 |
| TCMH1033 | Centella asiatica | Ji Xue Cao | 积雪草 |
| TCMH1096 | Inula japonica | Jin Fei Cao | 金沸草 |
| TCMH12 | Artemisia argyi | Ai Ye | 艾叶 |
| TCMH13 | Artemisia argyi | Ai Ye You | 艾叶油 |
| TCMH1562 | Arctium lappa | Niu Bang Zi | 牛蒡子 |
| TCMH204 | Xanthium sibiricum | Cang Er | 苍耳 |
| TCMH205 | Xanthium sibiricum | Cang Er Cao | 苍耳草 |
| TCMH2098 | Saussurea involucrata | Tian Shan Xue Lian Hua | 天山雪莲花 |
| TCMH2211 | Artemisia princeps | Wu Yue Ai | 五月艾 |
Showing 1 to 10 of 16 entries
Ingredient ID: TCMC2216
Formula: C30H48O3
Ingredient ID: TCMC2216
| Common Name | Ursolic Acid |
| IUPAC Name | (1S,2R,4aS,6aR,6aS,6bR,8aR,10S,12aR,14bS)-10-hydroxy-1,2,6a,6b,9,9,12a-heptamethyl-2,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydro-1H-picene-4a-carboxylic acid |
| Canonical SMILES | C[C@@H]1CC[C@]2([C@@H]([C@H]1C)C1=CC[C@H]3[C@@]([C@@]1(CC2)C)(C)CC[C@@H]1[C@]3(C)CC[C@@H](C1(C)C)O)C(=O)O |
| Standard InCHI | InChI=1S/C30H48O3/c1-18-10-15-30(25(32)33)17-16-28(6)20(24(30)19(18)2)8-9-22-27(5)13-12-23(31)26(3,4)21(27)11-14-29(22,28)7/h8,18-19,21-24,31H,9-17H2,1-7H3,(H,32,33)/t18-,19+,21+,22-,23+,24+,27+,28-,29-,30+/m1/s1 |
| Standard InCHIKey | WCGUUGGRBIKTOS-GPOJBZKASA-N |
| External Identifiers | ChEMBL [CHEMBL169]; PubChem [64945]; |
| Reference of Component-Ingredient Pair | 27085377 |
Occurrence of the ingredient across TCM components
| Component ID | Latin Name | Pinyin Name | Chinese Name |
|---|---|---|---|
| TCMH1033 | Centella asiatica | Ji Xue Cao | 积雪草 |
| TCMH1039 | Kummerowia striata | Ji Yan Cao | 鸡眼草 |
| TCMH108 | Perilla frutescens | Bai Su Zi | 白苏子 |
| TCMH1105 | Trollius chinensis | Jin Lian Hua | 金莲花 |
| TCMH1121 | Cardiospermum halicacabum | Jin Si Ku Lian | 金丝苦楝 |
| 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 |
| TCMH1133 | Rosa laevigata | Jin Ying Zi | 金樱子 |
| TCMH1134 | Rosa laevigata | Jin Ying Zi Rou | 金樱子肉 |
Showing 1 to 10 of 99 entries
Ingredient ID: TCMC22
Formula: C22H24O7
Ingredient ID: TCMC22
| Common Name | (-)-Yatein |
| IUPAC Name | (3R,4R)-4-(1,3-benzodioxol-5-ylmethyl)-3-[(3,4,5-trimethoxyphenyl)methyl]oxolan-2-one |
| Canonical SMILES | COc1cc(C[C@H]2C(=O)OC[C@@H]2Cc2ccc3c(c2)OCO3)cc(c1OC)OC |
| Standard InCHI | InChI=1S/C22H24O7/c1-24-19-9-14(10-20(25-2)21(19)26-3)7-16-15(11-27-22(16)23)6-13-4-5-17-18(8-13)29-12-28-17/h4-5,8-10,15-16H,6-7,11-12H2,1-3H3/t15-,16+/m0/s1 |
| Standard InCHIKey | GMLDZDDTZKXJLU-JKSUJKDBSA-N |
| External Identifiers | ChEMBL [CHEMBL471067]; PubChem [442835]; |
| Reference of Component-Ingredient Pair | 26091020 |
Occurrence of the ingredient across TCM components
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: TCMC1986
Formula: C21H20O11
Ingredient ID: TCMC1986
| Common Name | Quercitrin |
| IUPAC Name | 2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-3-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxychromen-4-one |
| Canonical SMILES | Oc1cc(O)c2c(c1)oc(c(c2=O)O[C@@H]1O[C@@H](C)[C@@H]([C@H]([C@H]1O)O)O)c1ccc(c(c1)O)O |
| Standard InCHI | InChI=1S/C21H20O11/c1-7-15(26)17(28)18(29)21(30-7)32-20-16(27)14-12(25)5-9(22)6-13(14)31-19(20)8-2-3-10(23)11(24)4-8/h2-7,15,17-18,21-26,28-29H,1H3/t7-,15-,17+,18+,21-/m0/s1 |
| Standard InCHIKey | OXGUCUVFOIWWQJ-HQBVPOQASA-N |
| External Identifiers | ChEMBL [CHEMBL82242]; PubChem [5280459]; |
| Reference of Component-Ingredient Pair | 24685503 |
Occurrence of the ingredient across TCM components
| Component ID | Latin Name | Pinyin Name | Chinese Name |
|---|---|---|---|
| TCMH101 | Chelidonium majus | Bai Qu Cai | 白屈菜 |
| TCMH1033 | Centella asiatica | Ji Xue Cao | 积雪草 |
| 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 |
| TCMH1165 | Murraya paniculata | Jiu Li Xiang | 九里香 |
| TCMH1247 | Geranium wilfordii | Lao Guan Cao | 老鹳草 |
| TCMH132 | Scutellaria barbata | Ban Zhi Lian | 半枝莲 |
| TCMH1343 | Aloe vera | Lu Hui | 芦荟 |
| TCMH143 | Albizia julibrissin | Bei He Huan | 北合欢 |
Showing 1 to 10 of 63 entries
Ingredient ID: TCMC1982
Formula: C15H10O7
Ingredient ID: TCMC1982
| Common Name | Quercetin |
| IUPAC Name | 2-(3,4-dihydroxyphenyl)-3,5,7-trihydroxychromen-4-one |
| Canonical SMILES | Oc1cc(O)c2c(c1)oc(c(c2=O)O)c1ccc(c(c1)O)O |
| Standard InCHI | InChI=1S/C15H10O7/c16-7-4-10(19)12-11(5-7)22-15(14(21)13(12)20)6-1-2-8(17)9(18)3-6/h1-5,16-19,21H |
| Standard InCHIKey | REFJWTPEDVJJIY-UHFFFAOYSA-N |
| External Identifiers | ChEMBL [CHEMBL50]; PubChem [5280343]; |
| Reference of Component-Ingredient Pair | 26766292 |
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 |
| TCMH1032 | Impatiens balsamina | Ji Xing Zi | 急性子 |
| TCMH1033 | Centella asiatica | Ji Xue Cao | 积雪草 |
| TCMH1090 | Brassica juncea | Jie Zi | 芥子 |
| TCMH1096 | Inula japonica | Jin Fei Cao | 金沸草 |
| TCMH1099 | Gymnema sylvestre | Jin Gang Teng | 金刚藤 |
| TCMH1100 | Gymnema sylvestre | Jin Gang Tou | 金刚头 |
| TCMH1105 | Trollius chinensis | Jin Lian Hua | 金莲花 |
| TCMH1117 | Rhizoma fagopyri cymosi | Jin Qiao Mai | 金荞麦 |
Showing 1 to 10 of 278 entries
Ingredient ID: TCMC182
Formula: C9H8O4
Ingredient ID: TCMC182
| Common Name | (Z)-3-(3,4-Dihydroxyphenyl)Prop-2-Enoic Acid |
| IUPAC Name | (Z)-3-(3,4-dihydroxyphenyl)prop-2-enoic acid |
| Canonical SMILES | OC(=O)/C=Cc1ccc(c(c1)O)O |
| Standard InCHI | InChI=1S/C9H8O4/c10-7-3-1-6(5-8(7)11)2-4-9(12)13/h1-5,10-11H,(H,12,13)/b4-2- |
| Standard InCHIKey | QAIPRVGONGVQAS-RQOWECAXSA-N |
| External Identifiers | ChEMBL [CHEMBL1320034]; PubChem [1549111]; |
| 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 |
| TCMH101 | Chelidonium majus | Bai Qu Cai | 白屈菜 |
| TCMH1033 | Centella asiatica | Ji Xue Cao | 积雪草 |
| TCMH108 | Perilla frutescens | Bai Su Zi | 白苏子 |
| TCMH1090 | Brassica juncea | Jie Zi | 芥子 |
| TCMH1096 | Inula japonica | Jin Fei Cao | 金沸草 |
| TCMH1127 | Lonicera japonica | Jin Yin Hua | 金银花 |
| TCMH1128 | Lonicera japonica | Jin Yin Hua Ti Qu Ye | 金银花提取液 |
| TCMH1162 | Sarcandra glabra | Jiu Jie Cha | 九节茶 |
Showing 1 to 10 of 154 entries
Ingredient ID: TCMC1538
Formula: C20H22O6
Ingredient ID: TCMC1538
| Common Name | Matairesinol |
| IUPAC Name | (3R,4R)-3,4-bis[(4-hydroxy-3-methoxyphenyl)methyl]oxolan-2-one |
| Canonical SMILES | COc1cc(ccc1O)C[C@H]1C(=O)OC[C@@H]1Cc1ccc(c(c1)OC)O |
| Standard InCHI | InChI=1S/C20H22O6/c1-24-18-9-12(3-5-16(18)21)7-14-11-26-20(23)15(14)8-13-4-6-17(22)19(10-13)25-2/h3-6,9-10,14-15,21-22H,7-8,11H2,1-2H3/t14-,15+/m0/s1 |
| Standard InCHIKey | MATGKVZWFZHCLI-LSDHHAIUSA-N |
| External Identifiers | ChEMBL [CHEMBL425148]; PubChem [119205]; |
| Reference of Component-Ingredient Pair | 22646817 |
Occurrence of the ingredient across TCM components
| Component ID | Latin Name | Pinyin Name | Chinese Name |
|---|---|---|---|
| TCMH1272 | Forsythia suspensa | Lian Qiao | 连翘 |
| TCMH1376 | Trachelospermum jasminoides | Luo Shi Teng | 络石藤 |
| TCMH1417 | Pinus massoniana | Ma Wei Song Gen | 马尾松根 |
| TCMH1418 | Pinus massoniana | Ma Wei Song Shu Gen | 马尾松树根 |
| TCMH1562 | Arctium lappa | Niu Bang Zi | 牛蒡子 |
| TCMH2033 | Pinus massoniana | Song Xiang | 松香 |
| TCMH2035 | Pinus massoniana | Song Zhi | 松脂 |
| TCMH2267 | Periploca sepium | Xiang Jia Pi | 香加皮 |
| TCMH2367 | Linum usitatissimum | Ya Ma Zi | 亚麻子 |
| TCMH2457 | Rosa canina | Ye Mei Gui Guo | 野玫瑰果 |
Showing 1 to 10 of 11 entries
Ingredient ID: TCMC1516
Formula: C15H10O6
Ingredient ID: TCMC1516
| Common Name | Luteolin |
| IUPAC Name | 2-(3,4-dihydroxyphenyl)-5,7-dihydroxychromen-4-one |
| Canonical SMILES | Oc1cc(O)c2c(c1)oc(cc2=O)c1ccc(c(c1)O)O |
| Standard InCHI | InChI=1S/C15H10O6/c16-8-4-11(19)15-12(20)6-13(21-14(15)5-8)7-1-2-9(17)10(18)3-7/h1-6,16-19H |
| Standard InCHIKey | IQPNAANSBPBGFQ-UHFFFAOYSA-N |
| External Identifiers | ChEMBL [CHEMBL151]; PubChem [5280445]; |
| Reference of Component-Ingredient Pair | 23122135 |
Occurrence of the ingredient across TCM components
| Component ID | Latin Name | Pinyin Name | Chinese Name |
|---|---|---|---|
| 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 |
| TCMH108 | Perilla frutescens | Bai Su Zi | 白苏子 |
| TCMH1096 | Inula japonica | Jin Fei Cao | 金沸草 |
| TCMH1105 | Trollius chinensis | Jin Lian Hua | 金莲花 |
| TCMH1117 | Rhizoma fagopyri cymosi | Jin Qiao Mai | 金荞麦 |
| TCMH1121 | Cardiospermum halicacabum | Jin Si Ku Lian | 金丝苦楝 |
| TCMH1127 | Lonicera japonica | Jin Yin Hua | 金银花 |
Showing 1 to 10 of 140 entries
Ingredient ID: TCMC1515
Formula: C30H50O
Ingredient ID: TCMC1515
| Common Name | Lupeol |
| IUPAC Name | (1R,3aR,5aR,5bR,7aR,9S,11aR,11bR,13aR,13bR)-3a,5a,5b,8,8,11a-hexamethyl-1-prop-1-en-2-yl-1,2,3,4,5,6,7,7a,9,10,11,11b,12,13,13a,13b-hexadecahydrocyclopenta[a]chrysen-9-ol |
| Canonical SMILES | CC(=C)[C@@H]1CC[C@]2([C@H]1[C@H]1CC[C@H]3[C@@]([C@]1(C)CC2)(C)CC[C@@H]1[C@]3(C)CC[C@@H](C1(C)C)O)C |
| Standard InCHI | InChI=1S/C30H50O/c1-19(2)20-11-14-27(5)17-18-29(7)21(25(20)27)9-10-23-28(6)15-13-24(31)26(3,4)22(28)12-16-30(23,29)8/h20-25,31H,1,9-18H2,2-8H3/t20-,21+,22-,23+,24-,25+,27+,28-,29+,30+/m0/s1 |
| Standard InCHIKey | MQYXUWHLBZFQQO-QGTGJCAVSA-N |
| External Identifiers | ChEMBL [CHEMBL289191]; PubChem [259846]; |
| Reference of Component-Ingredient Pair | 22898386 |
Occurrence of the ingredient across TCM components
| Component ID | Latin Name | Pinyin Name | Chinese Name |
|---|---|---|---|
| TCMH1033 | Centella asiatica | Ji Xue Cao | 积雪草 |
| TCMH1096 | Inula japonica | Jin Fei Cao | 金沸草 |
| TCMH1121 | Cardiospermum halicacabum | Jin Si Ku Lian | 金丝苦楝 |
| TCMH1215 | Sophora flavescens | Ku Shen | 苦参 |
| TCMH123 | Pteris semipinnata | Ban Bian Qi | 半边旗 |
| TCMH1296 | Ganoderma lucidum | Ling Zhi Jin Gao | 灵芝浸膏 |
| TCMH1299 | Ganoderma lucidum | Ling Zhi(1) | 灵芝 |
| TCMH1396 | Portulaca oleracea | Ma Chi Xian | 马齿苋 |
| TCMH143 | Albizia julibrissin | Bei He Huan | 北合欢 |
| TCMH1431 | Vitex trifolia | Man Jing Ye | 蔓荆叶 |
Showing 1 to 10 of 60 entries
Ingredient ID: TCMC1514
Formula: C30H48O
Ingredient ID: TCMC1514
| Common Name | Lupenone |
| IUPAC Name | (1R,3aR,5aR,5bR,7aR,11aR,11bR,13aR,13bR)-3a,5a,5b,8,8,11a-hexamethyl-1-prop-1-en-2-yl-2,3,4,5,6,7,7a,10,11,11b,12,13,13a,13b-tetradecahydro-1H-cyclopenta[a]chrysen-9-one |
| Canonical SMILES | CC(=C)[C@@H]1CC[C@]2([C@H]1[C@H]1CC[C@H]3[C@@]([C@]1(C)CC2)(C)CC[C@@H]1[C@]3(C)CCC(=O)C1(C)C)C |
| Standard InCHI | InChI=1S/C30H48O/c1-19(2)20-11-14-27(5)17-18-29(7)21(25(20)27)9-10-23-28(6)15-13-24(31)26(3,4)22(28)12-16-30(23,29)8/h20-23,25H,1,9-18H2,2-8H3/t20-,21+,22-,23+,25+,27+,28-,29+,30+/m0/s1 |
| Standard InCHIKey | GRBHNQFQFHLCHO-BHMAJAPKSA-N |
| External Identifiers | ChEMBL [CHEMBL486393]; PubChem [92158]; |
| Reference of Component-Ingredient Pair | 22759912 |
Occurrence of the ingredient across TCM components
| Component ID | Latin Name | Pinyin Name | Chinese Name |
|---|---|---|---|
| TCMH1562 | Arctium lappa | Niu Bang Zi | 牛蒡子 |
| TCMH1660 | Senecio scandens | Qian Li Guang | 千里光 |
| TCMH1753 | Boswellia carterii | Ru Xiang | 乳香 |
| TCMH2200 | Firmiana simplex | Wu Tong Ye Jin Gao | 梧桐叶浸膏 |
| TCMH2297 | Cirsium setosum | Xiao Ji | 小蓟 |
| TCMH938 | Sophora japonica | Huai Hua | 槐花 |
| TCMH940 | Sophora japonica | Huai Jiao | 槐角 |
| TCMH941 | Sophora japonica | Huai Mi | 槐米 |
| TCMH945 | Sophora japonica | Huai Zhi | 槐枝 |
Showing 1 to 9 of 9 entries
Ingredient ID: TCMC135
Formula: C22H24O8
Ingredient ID: TCMC135
| Common Name | (8R,8'r)-4-Hydroxycubebinone |
| IUPAC Name | (3R,4R)-4-[(4-hydroxy-3,5-dimethoxyphenyl)methyl]-3-[(7-methoxy-1,3-benzodioxol-5-yl)methyl]oxolan-2-one |
| Canonical SMILES | COc1cc(C[C@H]2COC(=O)[C@@H]2Cc2cc(OC)c3c(c2)OCO3)cc(c1O)OC |
| Standard InCHI | InChI=1S/C22H24O8/c1-25-16-6-12(7-17(26-2)20(16)23)4-14-10-28-22(24)15(14)5-13-8-18(27-3)21-19(9-13)29-11-30-21/h6-9,14-15,23H,4-5,10-11H2,1-3H3/t14-,15+/m0/s1 |
| Standard InCHIKey | LSSNBHGWOAHIQS-LSDHHAIUSA-N |
| External Identifiers | ChEMBL [CHEMBL482034]; PubChem [3013841]; |
| Reference of Component-Ingredient Pair | 15679319 |
Occurrence of the ingredient across TCM components
Ingredient ID: TCMC113
Formula: C21H24O6
Ingredient ID: TCMC113
| Common Name | (3S,4S)-4-[(3,4-Dimethoxyphenyl)Methyl]-3-[(4-Hydroxy-3-Methoxyphenyl)Methyl]Oxolan-2-One |
| IUPAC Name | (3S,4S)-4-[(3,4-dimethoxyphenyl)methyl]-3-[(4-hydroxy-3-methoxyphenyl)methyl]oxolan-2-one |
| Canonical SMILES | COc1cc(ccc1OC)C[C@@H]1COC(=O)[C@H]1Cc1ccc(c(c1)OC)O |
| Standard InCHI | InChI=1S/C21H24O6/c1-24-18-7-5-13(11-20(18)26-3)8-15-12-27-21(23)16(15)9-14-4-6-17(22)19(10-14)25-2/h4-7,10-11,15-16,22H,8-9,12H2,1-3H3/t15-,16+/m1/s1 |
| Standard InCHIKey | NQWVSMVXKMHKTF-CVEARBPZSA-N |
| External Identifiers | ChEMBL [CHEMBL369142]; PubChem [28125531]; |
| Reference of Component-Ingredient Pair | N/A |
Occurrence of the ingredient across TCM components
| Component ID | Latin Name | Pinyin Name | Chinese Name |
|---|---|---|---|
| TCMH1272 | Forsythia suspensa | Lian Qiao | 连翘 |
| TCMH1376 | Trachelospermum jasminoides | Luo Shi Teng | 络石藤 |
| TCMH1417 | Pinus massoniana | Ma Wei Song Gen | 马尾松根 |
| TCMH1418 | Pinus massoniana | Ma Wei Song Shu Gen | 马尾松树根 |
| TCMH1562 | Arctium lappa | Niu Bang Zi | 牛蒡子 |
| TCMH2033 | Pinus massoniana | Song Xiang | 松香 |
| TCMH2035 | Pinus massoniana | Song Zhi | 松脂 |
| TCMH2098 | Saussurea involucrata | Tian Shan Xue Lian Hua | 天山雪莲花 |
| TCMH2351 | Saussurea involucrata | Xue Lian | 雪莲 |
| TCMH2352 | Saussurea involucrata | Xue Lian Hua | 雪莲花 |
Showing 1 to 10 of 12 entries
Ingredient ID: TCMC1048
Formula: C20H22O6
Ingredient ID: TCMC1048
| Common Name | Dihydrocubebin |
| IUPAC Name | (2R,3R)-2,3-bis(1,3-benzodioxol-5-ylmethyl)butane-1,4-diol |
| Canonical SMILES | OC[C@@H]([C@@H](Cc1ccc2c(c1)OCO2)CO)Cc1ccc2c(c1)OCO2 |
| Standard InCHI | InChI=1S/C20H22O6/c21-9-15(5-13-1-3-17-19(7-13)25-11-23-17)16(10-22)6-14-2-4-18-20(8-14)26-12-24-18/h1-4,7-8,15-16,21-22H,5-6,9-12H2/t15-,16-/m0/s1 |
| Standard InCHIKey | JKCVMTYNARDGET-HOTGVXAUSA-N |
| External Identifiers | ChEMBL [CHEMBL486597]; PubChem [193042]; |
| Reference of Component-Ingredient Pair | 20954722 |
Occurrence of the ingredient across TCM components
Properties
| Ingredient ID | Formulae | Name | MW | AlogP | MlogP | XlogP | # HBA | # HBD | PSA | # Rotatable Bond | # Ring | # Heacy Atom | Lipinski RO5 Violation |
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| TCMC1048 | C20H22O6 | Dihydrocubebin | 358.14 | -1.4726 | 3 | 2.6 | 2 | 2 | 77.38 | 9 | 4 | 26 | 0 |
| TCMC113 | C21H24O6 | (3S,4S)-4-[(3,4-Dimethoxyphenyl)Methyl]-3-[(4-Hydroxy-3-Methoxyphenyl)Methyl]Oxolan-2-One | 372.16 | -0.5036 | 3.11 | 2.934 | 2 | 1 | 74.22 | 11 | 3 | 27 | 0 |
| TCMC135 | C22H24O8 | (8R,8'r)-4-Hydroxycubebinone | 416.15 | -0.8063 | 3 | 1.973 | 2 | 1 | 92.68 | 11 | 4 | 30 | 0 |
| TCMC1514 | C30H48O | Lupenone | 424.37 | 3.801 | 4.65 | 11.294 | 1 | 0 | 17.07 | 8 | 5 | 31 | 1 |
| TCMC1515 | C30H50O | Lupeol | 426.39 | 3.2313 | 4.65 | 11.901 | 1 | 1 | 20.23 | 9 | 5 | 31 | 1 |
| TCMC1516 | C15H10O6 | Luteolin | 286.05 | -2.3448 | 2.45 | 1.033 | 1 | 4 | 107.22 | 5 | 3 | 21 | 0 |
| TCMC1538 | C20H22O6 | Matairesinol | 358.14 | -0.9121 | 3 | 2.415 | 2 | 2 | 85.22 | 10 | 3 | 26 | 0 |
| TCMC182 | C9H8O4 | (Z)-3-(3,4-Dihydroxyphenyl)Prop-2-Enoic Acid | 180.04 | -0.7993 | 2.01 | 1.141 | 2 | 3 | 77.76 | 5 | 1 | 13 | 0 |
| TCMC1982 | C15H10O7 | Quercetin | 302.04 | -2.8012 | 2.34 | 1.381 | 2 | 5 | 127.45 | 6 | 3 | 22 | 0 |
| TCMC1986 | C21H20O11 | Quercitrin | 448.1 | -4.3921 | 2.56 | 0.349 | 6 | 7 | 186.37 | 11 | 4 | 32 | 1 |
Showing 1 to 10 of 31 entries
Download Data
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