Description of the Component
Component ID |
TCMH825 |
Latin Name |
Nelumbo nucifera |
English Name |
Hindu lotus leaf |
Chinese Pinyin Name |
He Ye |
中文名 |
荷叶 |
TCM Properties |
Mild,Bitter |
TCM Meridians |
Spleen,Stomach,Liver |
Therapeutic Class English |
Heat clearence |
Therapeutic Class Chinese |
清热 |
Functions |
relieve summer-heat, invigorate the spleen function of the spleen and arrest bleeding by reducing heat in blood |
Toxicity |
NA |
Geo-authentic habitats (道地产区) |
NA |
Reference |
Chinese Pharmacopoeia (2015) |
Barcode ID |
ITSAI3109-14 |
Barcode Source |
BOLDSYSTEMS |
TCM Prescriptions with the Component
| Prescription ID | Prescription English Name | Prescription Chinese Name |
|---|---|---|
| TCMF1675 | Four Fresh Ingredients Pills | 四生丸 |
| TCMF2031 | Decoction of Asparagi and Ophiopogonis | 二冬汤 |
| TCMF2109 | Qi Lifting Decoction | |
| TCMF2869 | Er Dong Decoction | 二冬汤 |
| TCMF3120 | Bai Bu Zeng Li Pills | 百补增力丸 |
| TCMF4275 | Ling Yuan Wan Ying Tea | 灵源万应茶 |
| TCMF4568 | Jiang Zhi Ling Capsules | 降脂灵胶囊 |
| TCMF4582 | Jiang Zhi Ning Granules | 降脂宁颗粒 |
| TCMF459 | Xue Zhi Ning Pills | 血脂宁丸 |
| TCMF5581 | Shan Zhuang Jiang Zhi Tablets | 山庄降脂片 |
Showing 1 to 10 of 32 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 |
| 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 |
| TCMT126 | TERT | Telomerase reverse transcriptase | Transferase | O14746 |
| TCMT127 | PARP1 | Poly [ADP-ribose] polymerase-1 | Transferase | P09874 |
| TCMT128 | TNKS2 | Tankyrase-2 | Transferase | Q9H2K2 |
Showing 1 to 10 of 179 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 |
| TCMT1108 | Integrase |
| TCMT1109 | Reverse transcriptase |
| TCMT1121 | Sialidase |
| TCMT1136 | Neuraminidase |
Showing 1 to 10 of 53 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: TCMC968
Formula: C6H10O
Ingredient ID: TCMC968
| Common Name | Cyclohexanone |
| IUPAC Name | cyclohexanone |
| Canonical SMILES | O=C1CCCCC1 |
| Standard InCHI | InChI=1S/C6H10O/c7-6-4-2-1-3-5-6/h1-5H2 |
| Standard InCHIKey | JHIVVAPYMSGYDF-UHFFFAOYSA-N |
| External Identifiers | ChEMBL [CHEMBL18850]; PubChem [7967]; |
| Reference of Component-Ingredient Pair | N/A |
Occurrence of the ingredient across TCM components
| Component ID | Latin Name | Pinyin Name | Chinese Name |
|---|---|---|---|
| TCMH1144 | Schizonepetae herba | Jing Jie Tan | 荆芥炭 |
| 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 |
| TCMH1598 | Nelumbo nucifera | Ou | 藕 |
| TCMH1599 | Nelumbo nucifera | Ou Fen | 藕粉 |
| TCMH1601 | Nelumbo nucifera | Ou Pian | 藕片 |
| TCMH1734 | Homo sapiens | Ren Zhong Bai | 人中白 |
| TCMH1862 | Cornus officinalis | Shan Zhu Yu | 山茱萸 |
| TCMH2710 | Homo sapiens | Zi He Che | 紫河车 |
Showing 1 to 10 of 12 entries
Ingredient ID: TCMC948
Formula: C9H8O3
Ingredient ID: TCMC948
| Common Name | Coumaric Acid |
| IUPAC Name | (E)-3-(4-hydroxyphenyl)prop-2-enoic acid |
| Canonical SMILES | OC(=O)/C=C/c1ccc(cc1)O |
| Standard InCHI | InChI=1S/C9H8O3/c10-8-4-1-7(2-5-8)3-6-9(11)12/h1-6,10H,(H,11,12)/b6-3+ |
| Standard InCHIKey | NGSWKAQJJWESNS-ZZXKWVIFSA-N |
| External Identifiers | ChEMBL [CHEMBL66879]; PubChem [637542]; |
| Reference of Component-Ingredient Pair | 23800587 |
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 |
| TCMH1096 | Inula japonica | Jin Fei Cao | 金沸草 |
| TCMH1117 | Rhizoma fagopyri cymosi | Jin Qiao Mai | 金荞麦 |
| TCMH1118 | Lygodium japonicum | Jin Sha Teng | 金沙藤 |
| TCMH1127 | Lonicera japonica | Jin Yin Hua | 金银花 |
| TCMH1128 | Lonicera japonica | Jin Yin Hua Ti Qu Ye | 金银花提取液 |
| TCMH1142 | Schizonepetae spica | Jing Jie Sui | 荆芥穗 |
| TCMH1144 | Schizonepetae herba | Jing Jie Tan | 荆芥炭 |
| TCMH1146 | Oryza sativa | Jing Mi | 粳米 |
Showing 1 to 10 of 126 entries
Ingredient ID: TCMC916
Formula: C9H8O2
Ingredient ID: TCMC916
| Common Name | Cinnamic Acid |
| IUPAC Name | (E)-3-phenylprop-2-enoic acid |
| Canonical SMILES | OC(=O)/C=C/c1ccccc1 |
| Standard InCHI | InChI=1S/C9H8O2/c10-9(11)7-6-8-4-2-1-3-5-8/h1-7H,(H,10,11)/b7-6+ |
| Standard InCHIKey | WBYWAXJHAXSJNI-VOTSOKGWSA-N |
| External Identifiers | ChEMBL [CHEMBL27246]; PubChem [444539]; |
| Reference of Component-Ingredient Pair | 16497524 |
Occurrence of the ingredient across TCM components
| Component ID | Latin Name | Pinyin Name | Chinese Name |
|---|---|---|---|
| TCMH1000 | Foeniculum vulgare | Hui Xiang | 茴香 |
| TCMH1045 | Piper sarmentosum | Jia Ju | 假蒟 |
| TCMH1051 | Piper sarmentosum | Jia 蒟ye | 假蒟叶 |
| 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 |
| TCMH1185 | Lycium chinense | Gou Qi | 枸杞 |
| TCMH1186 | Lycium chinense | Gou Qi Zi | 枸杞子 |
| TCMH1275 | Nelumbo nucifera | Lian Zi | 莲子 |
Showing 1 to 10 of 72 entries
Ingredient ID: TCMC913
Formula: C15H14O6
Ingredient ID: TCMC913
| Common Name | Cianidanol |
| IUPAC Name | (2R,3S)-2-(3,4-dihydroxyphenyl)-3,4-dihydro-2H-chromene-3,5,7-triol |
| Canonical SMILES | Oc1cc2O[C@H](c3ccc(c(c3)O)O)[C@H](Cc2c(c1)O)O |
| Standard InCHI | InChI=1S/C15H14O6/c16-8-4-11(18)9-6-13(20)15(21-14(9)5-8)7-1-2-10(17)12(19)3-7/h1-5,13,15-20H,6H2/t13-,15+/m0/s1 |
| Standard InCHIKey | PFTAWBLQPZVEMU-DZGCQCFKSA-N |
| External Identifiers | ChEMBL [CHEMBL311498]; PubChem [9064]; |
| Reference of Component-Ingredient Pair | 26452509 |
Occurrence of the ingredient across TCM components
| Component ID | Latin Name | Pinyin Name | Chinese Name |
|---|---|---|---|
| TCMH1011 | Sargentodoxa cuneata | Huo Xue Teng | 活血藤 |
| TCMH1033 | Centella asiatica | Ji Xue Cao | 积雪草 |
| TCMH1039 | Kummerowia striata | Ji Yan Cao | 鸡眼草 |
| TCMH104 | Paeonia lactiflora | Bai Shao | 白芍 |
| TCMH105 | Paeonia lactiflora | Bai Shao Gan Jin Gao | 白芍干浸膏 |
| TCMH1090 | Brassica juncea | Jie Zi | 芥子 |
| TCMH1105 | Trollius chinensis | Jin Lian Hua | 金莲花 |
| TCMH1117 | Rhizoma fagopyri cymosi | Jin Qiao Mai | 金荞麦 |
| 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 134 entries
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: TCMC880
Formula: C6H6O2
Ingredient ID: TCMC880
| Common Name | Catechol |
| IUPAC Name | benzene-1,2-diol |
| Canonical SMILES | Oc1ccccc1O |
| Standard InCHI | InChI=1S/C6H6O2/c7-5-3-1-2-4-6(5)8/h1-4,7-8H |
| Standard InCHIKey | YCIMNLLNPGFGHC-UHFFFAOYSA-N |
| External Identifiers | ChEMBL [CHEMBL280998]; PubChem [289]; |
| Reference of Component-Ingredient Pair | 23122078 |
Occurrence of the ingredient across TCM components
| Component ID | Latin Name | Pinyin Name | Chinese Name |
|---|---|---|---|
| TCMH1275 | Nelumbo nucifera | Lian Zi | 莲子 |
| TCMH1276 | Nelumbo nucifera | Lian Zi Xin | 莲子心 |
| TCMH1305 | Laggera alata | Liu Ling Ju | 六棱菊 |
| TCMH1343 | Aloe vera | Lu Hui | 芦荟 |
| TCMH1446 | Vaccinium oxycoccos | Man Yue Mei | 蔓越莓 |
| TCMH1518 | Chaenomeles sinensis | Mu Gua | 木瓜 |
| TCMH1598 | Nelumbo nucifera | Ou | 藕 |
| TCMH1599 | Nelumbo nucifera | Ou Fen | 藕粉 |
| TCMH1601 | Nelumbo nucifera | Ou Pian | 藕片 |
| TCMH1734 | Homo sapiens | Ren Zhong Bai | 人中白 |
Showing 1 to 10 of 30 entries
Ingredient ID: TCMC878
Formula: C15H14O6
Ingredient ID: TCMC878
| Common Name | Catechin |
| IUPAC Name | 2-(3,4-dihydroxyphenyl)-3,4-dihydro-2H-chromene-3,5,7-triol |
| Canonical SMILES | Oc1cc2OC(c3ccc(c(c3)O)O)C(Cc2c(c1)O)O |
| Standard InCHI | InChI=1S/C15H14O6/c16-8-4-11(18)9-6-13(20)15(21-14(9)5-8)7-1-2-10(17)12(19)3-7/h1-5,13,15-20H,6H2 |
| Standard InCHIKey | PFTAWBLQPZVEMU-UHFFFAOYSA-N |
| External Identifiers | ChEMBL [CHEMBL206452]; PubChem [1203]; |
| Reference of Component-Ingredient Pair | N/A |
Occurrence of the ingredient across TCM components
| Component ID | Latin Name | Pinyin Name | Chinese Name |
|---|---|---|---|
| TCMH1011 | Sargentodoxa cuneata | Huo Xue Teng | 活血藤 |
| 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 |
| TCMH1133 | Rosa laevigata | Jin Ying Zi | 金樱子 |
| TCMH1134 | Rosa laevigata | Jin Ying Zi Rou | 金樱子肉 |
| TCMH1135 | Rosa laevigata | Jin Ying Zi Ti Qu Ye | 金樱子提取液 |
| TCMH1165 | Murraya paniculata | Jiu Li Xiang | 九里香 |
| TCMH1275 | Nelumbo nucifera | Lian Zi | 莲子 |
| TCMH1276 | Nelumbo nucifera | Lian Zi Xin | 莲子心 |
Showing 1 to 10 of 92 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: TCMC837
Formula: C4H8O2
Ingredient ID: TCMC837
| Common Name | Butanoic Acid |
| IUPAC Name | butanoic acid |
| Canonical SMILES | CCCC(=O)O |
| Standard InCHI | InChI=1S/C4H8O2/c1-2-3-4(5)6/h2-3H2,1H3,(H,5,6) |
| Standard InCHIKey | FERIUCNNQQJTOY-UHFFFAOYSA-N |
| External Identifiers | ChEMBL [CHEMBL14227]; PubChem [264]; |
| Reference of Component-Ingredient Pair | 29584955 |
Occurrence of the ingredient across TCM components
| Component ID | Latin Name | Pinyin Name | Chinese Name |
|---|---|---|---|
| TCMH1275 | Nelumbo nucifera | Lian Zi | 莲子 |
| TCMH1276 | Nelumbo nucifera | Lian Zi Xin | 莲子心 |
| TCMH1446 | Vaccinium oxycoccos | Man Yue Mei | 蔓越莓 |
| TCMH1518 | Chaenomeles sinensis | Mu Gua | 木瓜 |
| TCMH1598 | Nelumbo nucifera | Ou | 藕 |
| TCMH1599 | Nelumbo nucifera | Ou Fen | 藕粉 |
| TCMH1601 | Nelumbo nucifera | Ou Pian | 藕片 |
| TCMH1656 | Angelica decursiva | Qian Hu | 前胡 |
| TCMH1734 | Homo sapiens | Ren Zhong Bai | 人中白 |
| TCMH2232 | Scutellaria amoena | Xi Nan Huang Qin | 西南黄芩 |
Showing 1 to 10 of 21 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: TCMC804
Formula: C30H48O3
Ingredient ID: TCMC804
| Common Name | Betulinic Acid |
| IUPAC Name | (1R,3aS,5aR,5bR,7aR,9S,11aR,11bR,13aR,13bR)-9-hydroxy-5a,5b,8,8,11a-pentamethyl-1-prop-1-en-2-yl-1,2,3,4,5,6,7,7a,9,10,11,11b,12,13,13a,13b-hexadecahydrocyclopenta[a]chrysene-3a-carboxylic acid |
| 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(=O)O |
| Standard InCHI | InChI=1S/C30H48O3/c1-18(2)19-10-15-30(25(32)33)17-16-28(6)20(24(19)30)8-9-22-27(5)13-12-23(31)26(3,4)21(27)11-14-29(22,28)7/h19-24,31H,1,8-17H2,2-7H3,(H,32,33)/t19-,20+,21-,22+,23-,24+,27-,28+,29+,30-/m0/s1 |
| Standard InCHIKey | QGJZLNKBHJESQX-FZFNOLFKSA-N |
| External Identifiers | ChEMBL [CHEMBL269277]; PubChem [64971]; |
| Reference of Component-Ingredient Pair | 23821410 |
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 |
| TCMH1121 | Cardiospermum halicacabum | Jin Si Ku Lian | 金丝苦楝 |
| TCMH1272 | Forsythia suspensa | Lian Qiao | 连翘 |
| TCMH1275 | Nelumbo nucifera | Lian Zi | 莲子 |
| TCMH1276 | Nelumbo nucifera | Lian Zi Xin | 莲子心 |
| TCMH1305 | Laggera alata | Liu Ling Ju | 六棱菊 |
| TCMH1315 | Salix babylonica | Liu Zhi | 柳枝 |
| TCMH1431 | Vitex trifolia | Man Jing Ye | 蔓荆叶 |
| TCMH1432 | Vitex trifolia | Man Jing Zi | 蔓荆子 |
Showing 1 to 10 of 59 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: TCMC768
Formula: C13H9N
Ingredient ID: TCMC768
| Common Name | Benzo[F]Quinoline |
| IUPAC Name | benzo[f]quinoline |
| Canonical SMILES | c1ccc2c(c1)ccc1c2cccn1 |
| Standard InCHI | InChI=1S/C13H9N/c1-2-5-11-10(4-1)7-8-13-12(11)6-3-9-14-13/h1-9H |
| Standard InCHIKey | HCAUQPZEWLULFJ-UHFFFAOYSA-N |
| External Identifiers | ChEMBL [CHEMBL1565107]; PubChem [6796]; |
| Reference of Component-Ingredient Pair | N/A |
Occurrence of the ingredient across TCM components
| Component ID | Latin Name | Pinyin Name | Chinese Name |
|---|---|---|---|
| TCMH1275 | Nelumbo nucifera | Lian Zi | 莲子 |
| TCMH1276 | Nelumbo nucifera | Lian Zi Xin | 莲子心 |
| TCMH1598 | Nelumbo nucifera | Ou | 藕 |
| TCMH1599 | Nelumbo nucifera | Ou Fen | 藕粉 |
| TCMH1601 | Nelumbo nucifera | Ou Pian | 藕片 |
| TCMH814 | Nelumbo nucifera | He Geng | 荷梗 |
| TCMH825 | Nelumbo nucifera | He Ye | 荷叶 |
Showing 1 to 7 of 7 entries
Ingredient ID: TCMC759
Formula: C22H44O2
Ingredient ID: TCMC759
| Common Name | Behenic Acid |
| IUPAC Name | docosanoic acid |
| Canonical SMILES | CCCCCCCCCCCCCCCCCCCCCC(=O)O |
| Standard InCHI | InChI=1S/C22H44O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22(23)24/h2-21H2,1H3,(H,23,24) |
| Standard InCHIKey | UKMSUNONTOPOIO-UHFFFAOYSA-N |
| External Identifiers | ChEMBL [CHEMBL1173474]; PubChem [8215]; |
| Reference of Component-Ingredient Pair | 29968805 |
Occurrence of the ingredient across TCM components
| Component ID | Latin Name | Pinyin Name | Chinese Name |
|---|---|---|---|
| TCMH1005 | Cannabis sativa | Huo Ma Ren | 火麻仁 |
| TCMH1063 | Curcuma longa | Jiang Huang | 姜黄 |
| TCMH1142 | Schizonepetae spica | Jing Jie Sui | 荆芥穗 |
| TCMH1144 | Schizonepetae herba | Jing Jie Tan | 荆芥炭 |
| TCMH1155 | Allium tuberosum | Jiu Cai | 韭菜 |
| TCMH1176 | Allium tuberosum | Jiu Zi | 韭子 |
| TCMH1211 | Melia azedarach | Ku Lian Pi | 苦楝皮 |
| TCMH1212 | Melia azedarach | Ku Lian Zi | 苦楝子 |
| TCMH1239 | Raphanus sativus | Lai Fu | 莱菔 |
| TCMH1240 | Raphanus sativus | Lai Fu Zi | 莱菔子 |
Showing 1 to 10 of 51 entries
Ingredient ID: TCMC737
Formula: C21H20O11
Ingredient ID: TCMC737
| Common Name | Astragalin |
| IUPAC Name | 5,7-dihydroxy-2-(4-hydroxyphenyl)-3-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxychromen-4-one |
| Canonical SMILES | OC[C@H]1O[C@@H](Oc2c(oc3c(c2=O)c(O)cc(c3)O)c2ccc(cc2)O)[C@@H]([C@H]([C@@H]1O)O)O |
| Standard InCHI | InChI=1S/C21H20O11/c22-7-13-15(26)17(28)18(29)21(31-13)32-20-16(27)14-11(25)5-10(24)6-12(14)30-19(20)8-1-3-9(23)4-2-8/h1-6,13,15,17-18,21-26,28-29H,7H2/t13-,15-,17+,18-,21+/m1/s1 |
| Standard InCHIKey | JPUKWEQWGBDDQB-QSOFNFLRSA-N |
| External Identifiers | ChEMBL [CHEMBL233930]; PubChem [5282102]; |
| Reference of Component-Ingredient Pair | 22667148 |
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 |
| TCMH1032 | Impatiens balsamina | Ji Xing Zi | 急性子 |
| TCMH1033 | Centella asiatica | Ji Xue Cao | 积雪草 |
| TCMH1096 | Inula japonica | Jin Fei Cao | 金沸草 |
| TCMH1118 | Lygodium japonicum | Jin Sha Teng | 金沙藤 |
| TCMH1127 | Lonicera japonica | Jin Yin Hua | 金银花 |
| TCMH1128 | Lonicera japonica | Jin Yin Hua Ti Qu Ye | 金银花提取液 |
| TCMH120 | Atractylodes macrocephala | Bai Zhu | 白术 |
| TCMH1223 | Tussilago farfara | Kuan Dong Hua | 款冬花 |
Showing 1 to 10 of 101 entries
Ingredient ID: TCMC717
Formula: C12H16O7
Ingredient ID: TCMC717
| Common Name | Arbutin |
| IUPAC Name | (2R,3S,4S,5R,6S)-2-(hydroxymethyl)-6-(4-hydroxyphenoxy)oxane-3,4,5-triol |
| Canonical SMILES | OC[C@H]1O[C@@H](Oc2ccc(cc2)O)[C@@H]([C@H]([C@@H]1O)O)O |
| Standard InCHI | InChI=1S/C12H16O7/c13-5-8-9(15)10(16)11(17)12(19-8)18-7-3-1-6(14)2-4-7/h1-4,8-17H,5H2/t8-,9-,10+,11-,12-/m1/s1 |
| Standard InCHIKey | BJRNKVDFDLYUGJ-RMPHRYRLSA-N |
| External Identifiers | ChEMBL [CHEMBL232202]; PubChem [440936]; |
| Reference of Component-Ingredient Pair | N/A |
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 |
| TCMH1197 | Selaginella tamariscina | Juan Bai | 卷柏 |
| TCMH1275 | Nelumbo nucifera | Lian Zi | 莲子 |
| TCMH1276 | Nelumbo nucifera | Lian Zi Xin | 莲子心 |
| TCMH1383 | Onobrychis viciifolia | Lv Dou | 绿豆 |
| TCMH1437 | Rhododendron dauricum | Man Shan Hong | 满山红 |
| TCMH1598 | Nelumbo nucifera | Ou | 藕 |
| TCMH1599 | Nelumbo nucifera | Ou Fen | 藕粉 |
| TCMH1601 | Nelumbo nucifera | Ou Pian | 藕片 |
Showing 1 to 10 of 16 entries
Ingredient ID: TCMC690
Formula: C20H30O5
Ingredient ID: TCMC690
| Common Name | Andrographolide |
| IUPAC Name | (3E,4S)-3-[2-[(1R,4aS,5R,6R,8aS)-6-hydroxy-5-(hydroxymethyl)-5,8a-dimethyl-2-methylidene-3,4,4a,6,7,8-hexahydro-1H-naphthalen-1-yl]ethylidene]-4-hydroxyoxolan-2-one |
| Canonical SMILES | OC[C@]1(C)[C@H](O)CC[C@@]2([C@@H]1CCC(=C)[C@H]2C/C=C/1[C@H](O)COC1=O)C |
| Standard InCHI | InChI=1S/C20H30O5/c1-12-4-7-16-19(2,9-8-17(23)20(16,3)11-21)14(12)6-5-13-15(22)10-25-18(13)24/h5,14-17,21-23H,1,4,6-11H2,2-3H3/b13-5+/t14-,15-,16+,17-,19+,20+/m1/s1 |
| Standard InCHIKey | BOJKULTULYSRAS-OTESTREVSA-N |
| External Identifiers | ChEMBL [CHEMBL186141]; PubChem [5318517]; |
| Reference of Component-Ingredient Pair | 29355602 |
Occurrence of the ingredient across TCM components
| Component ID | Latin Name | Pinyin Name | Chinese Name |
|---|---|---|---|
| TCMH1275 | Nelumbo nucifera | Lian Zi | 莲子 |
| TCMH1276 | Nelumbo nucifera | Lian Zi Xin | 莲子心 |
| TCMH1598 | Nelumbo nucifera | Ou | 藕 |
| TCMH1599 | Nelumbo nucifera | Ou Fen | 藕粉 |
| TCMH1601 | Nelumbo nucifera | Ou Pian | 藕片 |
| TCMH298 | Andrographis paniculata | Chuan Xin Lian | 穿心莲 |
| TCMH299 | Andrographis paniculata | Chuan Xin Lian Gan Jin Gao | 穿心莲干浸膏 |
| TCMH300 | Andrographis paniculata | Chuan Xin Lian Jin Gao | 穿心莲浸膏 |
| TCMH302 | Andrographis paniculata | Chuan Xin Lian Nong Suo Ye | 穿心莲浓缩液 |
| TCMH814 | Nelumbo nucifera | He Geng | 荷梗 |
Showing 1 to 10 of 11 entries
Ingredient ID: TCMC688
Formula: C22H36O3
Ingredient ID: TCMC688
| Common Name | Anacardic Acid |
| IUPAC Name | 2-hydroxy-6-pentadecylbenzoic acid |
| Canonical SMILES | CCCCCCCCCCCCCCCc1cccc(c1C(=O)O)O |
| Standard InCHI | InChI=1S/C22H36O3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-16-19-17-15-18-20(23)21(19)22(24)25/h15,17-18,23H,2-14,16H2,1H3,(H,24,25) |
| Standard InCHIKey | ADFWQBGTDJIESE-UHFFFAOYSA-N |
| External Identifiers | ChEMBL [CHEMBL33778]; PubChem [167551]; |
| Reference of Component-Ingredient Pair | 27129209 |
Occurrence of the ingredient across TCM components
| Component ID | Latin Name | Pinyin Name | Chinese Name |
|---|---|---|---|
| TCMH1275 | Nelumbo nucifera | Lian Zi | 莲子 |
| TCMH1276 | Nelumbo nucifera | Lian Zi Xin | 莲子心 |
| TCMH1598 | Nelumbo nucifera | Ou | 藕 |
| TCMH1599 | Nelumbo nucifera | Ou Fen | 藕粉 |
| TCMH1601 | Nelumbo nucifera | Ou Pian | 藕片 |
| TCMH2506 | Ginkgo biloba | Yin Xing Ye | 银杏叶 |
| TCMH60 | Ginkgo biloba | Bai Guo | 白果 |
| TCMH61 | Ginkgo biloba | Bai Guo Ren | 白果仁 |
| TCMH814 | Nelumbo nucifera | He Geng | 荷梗 |
| TCMH825 | Nelumbo nucifera | He Ye | 荷叶 |
Showing 1 to 10 of 10 entries
Ingredient ID: TCMC631
Formula: C5H5N5
Ingredient ID: TCMC631
| Common Name | Adenine |
| IUPAC Name | 7H-purin-6-amine |
| Canonical SMILES | Nc1nc[nH]c2c1ncn2 |
| Standard InCHI | InChI=1S/C5H5N5/c6-4-3-5(9-1-7-3)10-2-8-4/h1-2H,(H3,6,7,8,9,10) |
| Standard InCHIKey | GFFGJBXGBJISGV-UHFFFAOYSA-N |
| External Identifiers | ChEMBL [CHEMBL226345]; PubChem [190]; |
| Reference of Component-Ingredient Pair | 24211769 |
Occurrence of the ingredient across TCM components
| Component ID | Latin Name | Pinyin Name | Chinese Name |
|---|---|---|---|
| TCMH1102 | Tinospora capillipes | Jin Guo Lan | 金果榄 |
| TCMH1155 | Allium tuberosum | Jiu Cai | 韭菜 |
| TCMH1176 | Allium tuberosum | Jiu Zi | 韭子 |
| TCMH1181 | Chrysanthemum morifolium | Ju Hua | 菊花 |
| TCMH1223 | Tussilago farfara | Kuan Dong Hua | 款冬花 |
| TCMH1275 | Nelumbo nucifera | Lian Zi | 莲子 |
| TCMH1276 | Nelumbo nucifera | Lian Zi Xin | 莲子心 |
| TCMH1296 | Ganoderma lucidum | Ling Zhi Jin Gao | 灵芝浸膏 |
| TCMH1299 | Ganoderma lucidum | Ling Zhi(1) | 灵芝 |
| TCMH130 | Pinellia ternata | Ban Xia | 半夏 |
Showing 1 to 10 of 59 entries
Ingredient ID: TCMC5936
Formula: C18H19NO2
Ingredient ID: TCMC5936
| Common Name | N-Nornuciferine |
| IUPAC Name | (6aR)-1,2-dimethoxy-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinoline |
| Canonical SMILES | COc1cc2CC[NH2+][C@H]3c2c(c1OC)c1ccccc1C3 |
| Standard InCHI | InChI=1S/C18H19NO2/c1-20-15-10-12-7-8-19-14-9-11-5-3-4-6-13(11)17(16(12)14)18(15)21-2/h3-6,10,14,19H,7-9H2,1-2H3/p+1/t14-/m1/s1 |
| Standard InCHIKey | QQKAHDMMPBQDAC-CQSZACIVSA-O |
| External Identifiers | ChEMBL [CHEMBL1164391]; PubChem [12313579]; |
| Reference of Component-Ingredient Pair | 24561383 |
Occurrence of the ingredient across TCM components
Ingredient ID: TCMC5833
Formula: C27H28O18
Ingredient ID: TCMC5833
| Common Name | Nelumboside |
| IUPAC Name | (2S,3S,4R,5R,6S)-6-[2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-4-oxochromen-3-yl]oxy-4,5-dihydroxy-3-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxane-2-carboxylic acid |
| Canonical SMILES | OC[C@H]1O[C@@H](O[C@H]2[C@H](O)[C@@H](O)[C@@H](O[C@@H]2C(=O)[O-])Oc2c(oc3c(c2=O)c(O)cc(c3)O)c2ccc(c(c2)O)O)[C@@H]([C@H]([C@@H]1O)O)O |
| Standard InCHI | InChI=1S/C27H28O18/c28-6-13-15(33)17(35)19(37)26(42-13)44-23-18(36)20(38)27(45-24(23)25(39)40)43-22-16(34)14-11(32)4-8(29)5-12(14)41-21(22)7-1-2-9(30)10(31)3-7/h1-5,13,15,17-20,23-24,26-33,35-38H,6H2,(H,39,40)/p-1/t13-,15-,17+,18-,19-,20-,23+,24+,26+,27-/m1/s1 |
| Standard InCHIKey | RFPZGZUMXXMVEL-UBSYNHCDSA-M |
| External Identifiers | ChEMBL [N/A]; PubChem [11968794]; |
| Reference of Component-Ingredient Pair | N/A |
Occurrence of the ingredient across TCM components
Ingredient ID: TCMC580
Formula: C17H17N
Ingredient ID: TCMC580
| Common Name | 6-Methyl-5,6,6A,7-Tetrahydro-4H-Dibenzo[De,G]Quinoline |
| IUPAC Name | (6aR)-6-methyl-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinoline |
| Canonical SMILES | CN1CCc2c3[C@H]1Cc1ccccc1c3ccc2 |
| Standard InCHI | InChI=1S/C17H17N/c1-18-10-9-12-6-4-8-15-14-7-3-2-5-13(14)11-16(18)17(12)15/h2-8,16H,9-11H2,1H3/t16-/m1/s1 |
| Standard InCHIKey | BZKUYNBAFQJRDM-MRXNPFEDSA-N |
| External Identifiers | ChEMBL [CHEMBL281357]; PubChem [10421583]; |
| Reference of Component-Ingredient Pair | N/A |
Occurrence of the ingredient across TCM components
| Component ID | Latin Name | Pinyin Name | Chinese Name |
|---|---|---|---|
| TCMH1275 | Nelumbo nucifera | Lian Zi | 莲子 |
| TCMH1276 | Nelumbo nucifera | Lian Zi Xin | 莲子心 |
| TCMH1598 | Nelumbo nucifera | Ou | 藕 |
| TCMH1599 | Nelumbo nucifera | Ou Fen | 藕粉 |
| TCMH1601 | Nelumbo nucifera | Ou Pian | 藕片 |
| TCMH814 | Nelumbo nucifera | He Geng | 荷梗 |
| TCMH825 | Nelumbo nucifera | He Ye | 荷叶 |
Showing 1 to 7 of 7 entries
Ingredient ID: TCMC576
Formula: C21H18O13
Ingredient ID: TCMC576
| Common Name | 6-[2-(3,4-Dihydroxyphenyl)-5,7-Dihydroxy-4-Oxochromen-3-Yl]Oxy-3,4,5-Trihydroxyoxane-2-Carboxylic Acid |
| IUPAC Name | 6-[2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-4-oxochromen-3-yl]oxy-3,4,5-trihydroxyoxane-2-carboxylic acid |
| Canonical SMILES | Oc1cc(O)c2c(c1)oc(c(c2=O)OC1OC(C(=O)O)C(C(C1O)O)O)c1ccc(c(c1)O)O |
| Standard InCHI | InChI=1S/C21H18O13/c22-7-4-10(25)12-11(5-7)32-17(6-1-2-8(23)9(24)3-6)18(13(12)26)33-21-16(29)14(27)15(28)19(34-21)20(30)31/h1-5,14-16,19,21-25,27-29H,(H,30,31) |
| Standard InCHIKey | DUBCCGAQYVUYEU-UHFFFAOYSA-N |
| External Identifiers | ChEMBL [CHEMBL1506682]; PubChem [12004528]; |
| 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 |
| TCMH1275 | Nelumbo nucifera | Lian Zi | 莲子 |
| TCMH1276 | Nelumbo nucifera | Lian Zi Xin | 莲子心 |
| TCMH1598 | Nelumbo nucifera | Ou | 藕 |
| TCMH1599 | Nelumbo nucifera | Ou Fen | 藕粉 |
| TCMH1601 | Nelumbo nucifera | Ou Pian | 藕片 |
| TCMH177 | Polygonum aviculare | Bian Xu | 萹蓄 |
| TCMH445 | Hypericum japonicum | Di Er Cao | 地耳草 |
| TCMH814 | Nelumbo nucifera | He Geng | 荷梗 |
Showing 1 to 10 of 14 entries
Ingredient ID: TCMC570
Formula: C12H17NO2
Ingredient ID: TCMC570
| Common Name | 6,7-Dimethoxy-2-Methyl-3,4-Dihydro-1H-Isoquinoline |
| IUPAC Name | 6,7-dimethoxy-2-methyl-3,4-dihydro-1H-isoquinoline |
| Canonical SMILES | COc1cc2CN(C)CCc2cc1OC |
| Standard InCHI | InChI=1S/C12H17NO2/c1-13-5-4-9-6-11(14-2)12(15-3)7-10(9)8-13/h6-7H,4-5,8H2,1-3H3 |
| Standard InCHIKey | TXPPKWZEHFNZOE-UHFFFAOYSA-N |
| External Identifiers | ChEMBL [CHEMBL1196025]; PubChem [27694]; |
| Reference of Component-Ingredient Pair | 15081299 |
Occurrence of the ingredient across TCM components
| Component ID | Latin Name | Pinyin Name | Chinese Name |
|---|---|---|---|
| TCMH1275 | Nelumbo nucifera | Lian Zi | 莲子 |
| TCMH1276 | Nelumbo nucifera | Lian Zi Xin | 莲子心 |
| TCMH1598 | Nelumbo nucifera | Ou | 藕 |
| TCMH1599 | Nelumbo nucifera | Ou Fen | 藕粉 |
| TCMH1601 | Nelumbo nucifera | Ou Pian | 藕片 |
| TCMH814 | Nelumbo nucifera | He Geng | 荷梗 |
| TCMH825 | Nelumbo nucifera | He Ye | 荷叶 |
Showing 1 to 7 of 7 entries
Ingredient ID: TCMC523
Formula: C23H24O13
Ingredient ID: TCMC523
| Common Name | 5,7-Dihydroxy-2-(4-Hydroxy-3,5-Dimethoxyphenyl)-3-[(2S,3R,4S,5S,6R)-3,4,5-Trihydroxy-6-(Hydroxymethyl)Oxan-2-Yl]Oxychromen-4-One |
| IUPAC Name | 5,7-dihydroxy-2-(4-hydroxy-3,5-dimethoxyphenyl)-3-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxychromen-4-one |
| Canonical SMILES | OC[C@H]1O[C@@H](Oc2c(oc3c(c2=O)c(O)cc(c3)O)c2cc(OC)c(c(c2)OC)O)[C@@H]([C@H]([C@@H]1O)O)O |
| Standard InCHI | InChI=1S/C23H24O13/c1-32-12-3-8(4-13(33-2)16(12)27)21-22(18(29)15-10(26)5-9(25)6-11(15)34-21)36-23-20(31)19(30)17(28)14(7-24)35-23/h3-6,14,17,19-20,23-28,30-31H,7H2,1-2H3/t14-,17-,19+,20-,23+/m1/s1 |
| Standard InCHIKey | JMFWYRWPJVEZPV-AVGVHVDKSA-N |
| External Identifiers | ChEMBL [CHEMBL1600723]; PubChem [5321577]; |
| Reference of Component-Ingredient Pair | N/A |
Occurrence of the ingredient across TCM components
| Component ID | Latin Name | Pinyin Name | Chinese Name |
|---|---|---|---|
| TCMH1275 | Nelumbo nucifera | Lian Zi | 莲子 |
| TCMH1276 | Nelumbo nucifera | Lian Zi Xin | 莲子心 |
| TCMH1446 | Vaccinium oxycoccos | Man Yue Mei | 蔓越莓 |
| TCMH1518 | Chaenomeles sinensis | Mu Gua | 木瓜 |
| TCMH1598 | Nelumbo nucifera | Ou | 藕 |
| TCMH1599 | Nelumbo nucifera | Ou Fen | 藕粉 |
| TCMH1601 | Nelumbo nucifera | Ou Pian | 藕片 |
| TCMH2232 | Scutellaria amoena | Xi Nan Huang Qin | 西南黄芩 |
| TCMH814 | Nelumbo nucifera | He Geng | 荷梗 |
| TCMH825 | Nelumbo nucifera | He Ye | 荷叶 |
Showing 1 to 10 of 10 entries
Ingredient ID: TCMC5194
Formula: C18H21NO3
Ingredient ID: TCMC5194
| Common Name | N-Norarmepavine |
| IUPAC Name | 4-[[(1R)-6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolin-1-yl]methyl]phenol |
| Canonical SMILES | COc1cc2[C@H]([NH2+]CCc2cc1OC)Cc1ccc(cc1)O |
| Standard InCHI | InChI=1S/C18H21NO3/c1-21-17-10-13-7-8-19-16(15(13)11-18(17)22-2)9-12-3-5-14(20)6-4-12/h3-6,10-11,16,19-20H,7-9H2,1-2H3/p+1/t16-/m1/s1 |
| Standard InCHIKey | NKBBUUNAVOMVER-MRXNPFEDSA-O |
| External Identifiers | ChEMBL [N/A]; PubChem [6995726]; |
| Reference of Component-Ingredient Pair | N/A |
Occurrence of the ingredient across TCM components
Ingredient ID: TCMC480
Formula: C19H23NO3
Ingredient ID: TCMC480
| Common Name | 4-[(6,7-Dimethoxy-2-Methyl-3,4-Dihydro-1H-Isoquinolin-1-Yl)Methyl]Phenol |
| IUPAC Name | 4-[(6,7-dimethoxy-2-methyl-3,4-dihydro-1H-isoquinolin-1-yl)methyl]phenol |
| Canonical SMILES | COc1cc2c(cc1OC)CCN(C2Cc1ccc(cc1)O)C |
| Standard InCHI | InChI=1S/C19H23NO3/c1-20-9-8-14-11-18(22-2)19(23-3)12-16(14)17(20)10-13-4-6-15(21)7-5-13/h4-7,11-12,17,21H,8-10H2,1-3H3 |
| Standard InCHIKey | ZBKFZIUKXTWQTP-UHFFFAOYSA-N |
| External Identifiers | ChEMBL [CHEMBL451722]; PubChem [98348]; |
| Reference of Component-Ingredient Pair | N/A |
Occurrence of the ingredient across TCM components
| Component ID | Latin Name | Pinyin Name | Chinese Name |
|---|---|---|---|
| TCMH1275 | Nelumbo nucifera | Lian Zi | 莲子 |
| TCMH1276 | Nelumbo nucifera | Lian Zi Xin | 莲子心 |
| TCMH1598 | Nelumbo nucifera | Ou | 藕 |
| TCMH1599 | Nelumbo nucifera | Ou Fen | 藕粉 |
| TCMH1601 | Nelumbo nucifera | Ou Pian | 藕片 |
| TCMH814 | Nelumbo nucifera | He Geng | 荷梗 |
| TCMH825 | Nelumbo nucifera | He Ye | 荷叶 |
Showing 1 to 7 of 7 entries
Ingredient ID: TCMC479
Formula: C18H21NO3
Ingredient ID: TCMC479
| Common Name | 4-[(6,7-Dimethoxy-1,2,3,4-Tetrahydroisoquinolin-1-Yl)Methyl]Phenol |
| IUPAC Name | 4-[(6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolin-1-yl)methyl]phenol |
| Canonical SMILES | COc1cc2C(NCCc2cc1OC)Cc1ccc(cc1)O |
| Standard InCHI | InChI=1S/C18H21NO3/c1-21-17-10-13-7-8-19-16(15(13)11-18(17)22-2)9-12-3-5-14(20)6-4-12/h3-6,10-11,16,19-20H,7-9H2,1-2H3 |
| Standard InCHIKey | NKBBUUNAVOMVER-UHFFFAOYSA-N |
| External Identifiers | ChEMBL [CHEMBL510363]; PubChem [317405]; |
| Reference of Component-Ingredient Pair | N/A |
Occurrence of the ingredient across TCM components
| Component ID | Latin Name | Pinyin Name | Chinese Name |
|---|---|---|---|
| TCMH1275 | Nelumbo nucifera | Lian Zi | 莲子 |
| TCMH1276 | Nelumbo nucifera | Lian Zi Xin | 莲子心 |
| TCMH1598 | Nelumbo nucifera | Ou | 藕 |
| TCMH1599 | Nelumbo nucifera | Ou Fen | 藕粉 |
| TCMH1601 | Nelumbo nucifera | Ou Pian | 藕片 |
| TCMH814 | Nelumbo nucifera | He Geng | 荷梗 |
| TCMH825 | Nelumbo nucifera | He Ye | 荷叶 |
Showing 1 to 7 of 7 entries
Ingredient ID: TCMC428
Formula: C20H40O
Ingredient ID: TCMC428
| Common Name | 3,7,11,15-Tetramethylhexadec-1-En-3-Ol |
| IUPAC Name | 3,7,11,15-tetramethylhexadec-1-en-3-ol |
| Canonical SMILES | C=CC(CCCC(CCCC(CCCC(C)C)C)C)(O)C |
| Standard InCHI | InChI=1S/C20H40O/c1-7-20(6,21)16-10-15-19(5)14-9-13-18(4)12-8-11-17(2)3/h7,17-19,21H,1,8-16H2,2-6H3 |
| Standard InCHIKey | KEVYVLWNCKMXJX-UHFFFAOYSA-N |
| External Identifiers | ChEMBL [CHEMBL453797]; PubChem [10453]; |
| 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 |
| TCMH1127 | Lonicera japonica | Jin Yin Hua | 金银花 |
| TCMH1128 | Lonicera japonica | Jin Yin Hua Ti Qu Ye | 金银花提取液 |
| TCMH1275 | Nelumbo nucifera | Lian Zi | 莲子 |
| TCMH1276 | Nelumbo nucifera | Lian Zi Xin | 莲子心 |
| TCMH1598 | Nelumbo nucifera | Ou | 藕 |
| TCMH1599 | Nelumbo nucifera | Ou Fen | 藕粉 |
| TCMH1601 | Nelumbo nucifera | Ou Pian | 藕片 |
| TCMH1714 | Lonicera japonica | Ren Dong Teng | 忍冬藤 |
| TCMH2721 | Perilla frutescens var. arguta | Zi Su Geng | 紫苏梗 |
Showing 1 to 10 of 15 entries
Ingredient ID: TCMC416
Formula: C22H18O10
Ingredient ID: TCMC416
| Common Name | 3,4,5-Trihydroxy-Benzoic Acid (2S,3S)-2-(3,4-Dihydroxy-Phenyl)-5,7-Dihydroxy-Chroman-3-Yl Ester |
| IUPAC Name | [(2S,3S)-2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-3,4-dihydro-2H-chromen-3-yl] 3,4,5-trihydroxybenzoate |
| Canonical SMILES | Oc1cc(O)c2c(c1)O[C@H]([C@H](C2)OC(=O)c1cc(O)c(c(c1)O)O)c1ccc(c(c1)O)O |
| Standard InCHI | InChI=1S/C22H18O10/c23-11-6-14(25)12-8-19(32-22(30)10-4-16(27)20(29)17(28)5-10)21(31-18(12)7-11)9-1-2-13(24)15(26)3-9/h1-7,19,21,23-29H,8H2/t19-,21-/m0/s1 |
| Standard InCHIKey | LSHVYAFMTMFKBA-FPOVZHCZSA-N |
| External Identifiers | ChEMBL [CHEMBL126142]; PubChem [65056]; |
| Reference of Component-Ingredient Pair | N/A |
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 |
| 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 |
| TCMH1446 | Vaccinium oxycoccos | Man Yue Mei | 蔓越莓 |
| TCMH1518 | Chaenomeles sinensis | Mu Gua | 木瓜 |
| TCMH1598 | Nelumbo nucifera | Ou | 藕 |
| TCMH1599 | Nelumbo nucifera | Ou Fen | 藕粉 |
| TCMH1601 | Nelumbo nucifera | Ou Pian | 藕片 |
| TCMH1848 | Crataegus pinnatifida | Shan Zha | 山楂 |
Showing 1 to 10 of 26 entries
Ingredient ID: TCMC3875
Formula: C19H23NO3
Ingredient ID: TCMC3875
| Common Name | Armepavine |
| IUPAC Name | 4-[[(1R)-6,7-dimethoxy-2-methyl-3,4-dihydro-1H-isoquinolin-1-yl]methyl]phenol |
| Canonical SMILES | COc1cc2c(cc1OC)CC[NH+]([C@@H]2Cc1ccc(cc1)O)C |
| Standard InCHI | InChI=1S/C19H23NO3/c1-20-9-8-14-11-18(22-2)19(23-3)12-16(14)17(20)10-13-4-6-15(21)7-5-13/h4-7,11-12,17,21H,8-10H2,1-3H3/p+1/t17-/m1/s1 |
| Standard InCHIKey | ZBKFZIUKXTWQTP-QGZVFWFLSA-O |
| External Identifiers | ChEMBL [CHEMBL1186510]; PubChem [442169]; |
| Reference of Component-Ingredient Pair | 20551296 |
Occurrence of the ingredient across TCM components
Ingredient ID: TCMC3821
Formula: C18H21NO3
Ingredient ID: TCMC3821
| Common Name | D-N-Methyl Coclaurine |
| IUPAC Name | (1R)-1-[(4-hydroxyphenyl)methyl]-6-methoxy-2-methyl-3,4-dihydro-1H-isoquinolin-7-ol |
| Canonical SMILES | COc1cc2CC[NH+]([C@@H](c2cc1O)Cc1ccc(cc1)O)C |
| Standard InCHI | InChI=1S/C18H21NO3/c1-19-8-7-13-10-18(22-2)17(21)11-15(13)16(19)9-12-3-5-14(20)6-4-12/h3-6,10-11,16,20-21H,7-9H2,1-2H3/p+1/t16-/m1/s1 |
| Standard InCHIKey | BOKVLBSSPUTWLV-MRXNPFEDSA-O |
| External Identifiers | ChEMBL [N/A]; PubChem [440595]; |
| Reference of Component-Ingredient Pair | 11682473 |
Occurrence of the ingredient across TCM components
Ingredient ID: TCMC3774
Formula: C29H60O
Ingredient ID: TCMC3774
| Common Name | 10-Nonacosanol |
| IUPAC Name | (10R)-nonacosan-10-ol |
| Canonical SMILES | CCCCCCCCCCCCCCCCCCC[C@@H](CCCCCCCCC)O |
| Standard InCHI | InChI=1S/C29H60O/c1-3-5-7-9-11-12-13-14-15-16-17-18-19-20-22-24-26-28-29(30)27-25-23-21-10-8-6-4-2/h29-30H,3-28H2,1-2H3/t29-/m1/s1 |
| Standard InCHIKey | CPGCVOVWHCWVTP-GDLZYMKVSA-N |
| External Identifiers | ChEMBL [N/A]; PubChem [342803]; |
| Reference of Component-Ingredient Pair | N/A |
Occurrence of the ingredient across TCM components
Ingredient ID: TCMC3734
Formula: C19H21NO3
Ingredient ID: TCMC3734
| Common Name | Pronuciferine |
| IUPAC Name | (4R)-10,11-dimethoxy-5-methylspiro[5-azatricyclo[6.3.1.04,12]dodeca-1(12),8,10-triene-2,4'-cyclohexa-2,5-diene]-1'-one |
| Canonical SMILES | COc1c(OC)cc2c3c1C1(C=CC(=O)C=C1)C[C@H]3[NH+](CC2)C |
| Standard InCHI | InChI=1S/C19H21NO3/c1-20-9-6-12-10-15(22-2)18(23-3)17-16(12)14(20)11-19(17)7-4-13(21)5-8-19/h4-5,7-8,10,14H,6,9,11H2,1-3H3/p+1/t14-/m1/s1 |
| Standard InCHIKey | WUYQEGNOQLRQAQ-CQSZACIVSA-O |
| External Identifiers | ChEMBL [CHEMBL237766]; PubChem [200480]; |
| Reference of Component-Ingredient Pair | 17634034 |
Occurrence of the ingredient across TCM components
Ingredient ID: TCMC3726
Formula: C18H19NO2
Ingredient ID: TCMC3726
| Common Name | N-Methylasimilobine |
| IUPAC Name | (6aR)-1-methoxy-6-methyl-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinolin-2-ol |
| Canonical SMILES | COc1c(O)cc2c3c1c1ccccc1C[C@H]3[NH+](CC2)C |
| Standard InCHI | InChI=1S/C18H19NO2/c1-19-8-7-12-10-15(20)18(21-2)17-13-6-4-3-5-11(13)9-14(19)16(12)17/h3-6,10,14,20H,7-9H2,1-2H3/p+1/t14-/m1/s1 |
| Standard InCHIKey | AKXOIHNFHOEPHN-CQSZACIVSA-O |
| External Identifiers | ChEMBL [CHEMBL2316499]; PubChem [197017]; |
| Reference of Component-Ingredient Pair | 10785417 |
Occurrence of the ingredient across TCM components
Ingredient ID: TCMC3580
Formula: C17H15NO2
Ingredient ID: TCMC3580
| Common Name | Anonaine |
| IUPAC Name | (12R)-3,5-dioxa-11-azapentacyclo[10.7.1.02,6.08,20.014,19]icosa-1(20),2(6),7,14,16,18-hexaene |
| Canonical SMILES | c1ccc2c(c1)C[C@@H]1c3c2c2OCOc2cc3CC[NH2+]1 |
| Standard InCHI | InChI=1S/C17H15NO2/c1-2-4-12-10(3-1)7-13-15-11(5-6-18-13)8-14-17(16(12)15)20-9-19-14/h1-4,8,13,18H,5-7,9H2/p+1/t13-/m1/s1 |
| Standard InCHIKey | VZTUKBKUWSHDFM-CYBMUJFWSA-O |
| External Identifiers | ChEMBL [CHEMBL401798]; PubChem [160597]; |
| Reference of Component-Ingredient Pair | 28653156 |
Occurrence of the ingredient across TCM components
Ingredient ID: TCMC3160
Formula: C18H19NO2
Ingredient ID: TCMC3160
| Common Name | Lirinidine |
| IUPAC Name | (6aS)-2-methoxy-6-methyl-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinolin-1-ol |
| Canonical SMILES | COc1cc2CC[NH+]([C@@H]3c2c(c1O)c1ccccc1C3)C |
| Standard InCHI | InChI=1S/C18H19NO2/c1-19-8-7-12-10-15(21-2)18(20)17-13-6-4-3-5-11(13)9-14(19)16(12)17/h3-6,10,14,20H,7-9H2,1-2H3/p+1/t14-/m0/s1 |
| Standard InCHIKey | YXVXMURDCBMPRH-AWEZNQCLSA-O |
| External Identifiers | ChEMBL [N/A]; PubChem [31069]; |
| Reference of Component-Ingredient Pair | 24705566 |
Occurrence of the ingredient across TCM components
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: TCMC3015
Formula: C6H12O7
Ingredient ID: TCMC3015
| Common Name | Gluconic Acid |
| IUPAC Name | (2R,3S,4R,5R)-2,3,4,5,6-pentahydroxyhexanoic acid |
| Canonical SMILES | OC[C@H]([C@H]([C@@H]([C@H](C(=O)[O-])O)O)O)O |
| Standard InCHI | InChI=1S/C6H12O7/c7-1-2(8)3(9)4(10)5(11)6(12)13/h2-5,7-11H,1H2,(H,12,13)/p-1/t2-,3-,4+,5-/m1/s1 |
| Standard InCHIKey | RGHNJXZEOKUKBD-SQOUGZDYSA-M |
| External Identifiers | ChEMBL [CHEMBL464345]; PubChem [10690]; |
| Reference of Component-Ingredient Pair | 22986198 |
Occurrence of the ingredient across TCM components
Ingredient ID: TCMC3
Formula: C15H14O6
Ingredient ID: TCMC3
| Common Name | (-)-Catechin |
| IUPAC Name | (2S,3R)-2-(3,4-dihydroxyphenyl)-3,4-dihydro-2H-chromene-3,5,7-triol |
| Canonical SMILES | Oc1cc2O[C@@H](c3ccc(c(c3)O)O)[C@@H](Cc2c(c1)O)O |
| Standard InCHI | InChI=1S/C15H14O6/c16-8-4-11(18)9-6-13(20)15(21-14(9)5-8)7-1-2-10(17)12(19)3-7/h1-5,13,15-20H,6H2/t13-,15+/m1/s1 |
| Standard InCHIKey | PFTAWBLQPZVEMU-HIFRSBDPSA-N |
| External Identifiers | ChEMBL [CHEMBL200715]; PubChem [73160]; |
| Reference of Component-Ingredient Pair | 22953911 |
Occurrence of the ingredient across TCM components
| Component ID | Latin Name | Pinyin Name | Chinese Name |
|---|---|---|---|
| TCMH1033 | Centella asiatica | Ji Xue Cao | 积雪草 |
| TCMH104 | Paeonia lactiflora | Bai Shao | 白芍 |
| TCMH105 | Paeonia lactiflora | Bai Shao Gan Jin Gao | 白芍干浸膏 |
| TCMH1090 | Brassica juncea | Jie Zi | 芥子 |
| TCMH1117 | Rhizoma fagopyri cymosi | Jin Qiao Mai | 金荞麦 |
| TCMH1133 | Rosa laevigata | Jin Ying Zi | 金樱子 |
| TCMH1134 | Rosa laevigata | Jin Ying Zi Rou | 金樱子肉 |
| TCMH1135 | Rosa laevigata | Jin Ying Zi Ti Qu Ye | 金樱子提取液 |
| TCMH1165 | Murraya paniculata | Jiu Li Xiang | 九里香 |
| TCMH1275 | Nelumbo nucifera | Lian Zi | 莲子 |
Showing 1 to 10 of 90 entries
Ingredient ID: TCMC2990
Formula: C19H21NO2
Ingredient ID: TCMC2990
| Common Name | Nuciferine |
| IUPAC Name | (6aR)-1,2-dimethoxy-6-methyl-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinoline |
| Canonical SMILES | COc1cc2CC[NH+]([C@H]3c2c(c1OC)c1ccccc1C3)C |
| Standard InCHI | InChI=1S/C19H21NO2/c1-20-9-8-13-11-16(21-2)19(22-3)18-14-7-5-4-6-12(14)10-15(20)17(13)18/h4-7,11,15H,8-10H2,1-3H3/p+1/t15-/m1/s1 |
| Standard InCHIKey | ORJVQPIHKOARKV-OAHLLOKOSA-O |
| External Identifiers | ChEMBL [CHEMBL464529]; PubChem [10146]; |
| Reference of Component-Ingredient Pair | 27209587 |
Occurrence of the ingredient across TCM components
Ingredient ID: TCMC297
Formula: C21H20O12
Ingredient ID: TCMC297
| Common Name | 2-(3,4-Dihydroxyphenyl)-5,7-Dihydroxy-3-[3,4,5-Trihydroxy-6-(Hydroxymethyl)Oxan-2-Yl]Oxychromen-4-One |
| IUPAC Name | 2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-3-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxychromen-4-one |
| Canonical SMILES | OCC1OC(Oc2c(oc3c(c2=O)c(O)cc(c3)O)c2ccc(c(c2)O)O)C(C(C1O)O)O |
| Standard InCHI | InChI=1S/C21H20O12/c22-6-13-15(27)17(29)18(30)21(32-13)33-20-16(28)14-11(26)4-8(23)5-12(14)31-19(20)7-1-2-9(24)10(25)3-7/h1-5,13,15,17-18,21-27,29-30H,6H2 |
| Standard InCHIKey | OVSQVDMCBVZWGM-UHFFFAOYSA-N |
| External Identifiers | ChEMBL [CHEMBL33027]; PubChem [5378597]; |
| Reference of Component-Ingredient Pair | 21469731 |
Occurrence of the ingredient across TCM components
| Component ID | Latin Name | Pinyin Name | Chinese Name |
|---|---|---|---|
| TCMH1175 | Cornus officinalis | Jiu Yu Rou | 酒萸肉 |
| TCMH1247 | Geranium wilfordii | Lao Guan Cao | 老鹳草 |
| TCMH1272 | Forsythia suspensa | Lian Qiao | 连翘 |
| TCMH1275 | Nelumbo nucifera | Lian Zi | 莲子 |
| TCMH1276 | Nelumbo nucifera | Lian Zi Xin | 莲子心 |
| TCMH1367 | Apocynum venetum | Luo Bu Ma | 罗布麻 |
| TCMH1598 | Nelumbo nucifera | Ou | 藕 |
| TCMH1599 | Nelumbo nucifera | Ou Fen | 藕粉 |
| TCMH1601 | Nelumbo nucifera | Ou Pian | 藕片 |
| TCMH1632 | Taraxacum mongolicum | Pu Gong Ying | 蒲公英 |
Showing 1 to 10 of 29 entries
Ingredient ID: TCMC2808
Formula: C30H26O12
Ingredient ID: TCMC2808
| Common Name | Procyanidin B3 |
| IUPAC Name | (2R,3S)-2-(3,4-dihydroxyphenyl)-8-[(2R,3S,4S)-2-(3,4-dihydroxyphenyl)-3,5,7-trihydroxy-3,4-dihydro-2H-chromen-4-yl]-3,4-dihydro-2H-chromene-3,5,7-triol |
| Canonical SMILES | Oc1cc(O)c2c(c1)O[C@@H]([C@H]([C@@H]2c1c(O)cc(c2c1O[C@@H]([C@H](C2)O)c1ccc(c(c1)O)O)O)O)c1ccc(c(c1)O)O |
| Standard InCHI | InChI=1S/C30H26O12/c31-13-7-20(37)24-23(8-13)41-29(12-2-4-16(33)19(36)6-12)27(40)26(24)25-21(38)10-17(34)14-9-22(39)28(42-30(14)25)11-1-3-15(32)18(35)5-11/h1-8,10,22,26-29,31-40H,9H2/t22-,26-,27-,28+,29+/m0/s1 |
| Standard InCHIKey | XFZJEEAOWLFHDH-AVFWISQGSA-N |
| External Identifiers | ChEMBL [CHEMBL501490]; PubChem [146798]; |
| Reference of Component-Ingredient Pair | 29054360 |
Occurrence of the ingredient across TCM components
| Component ID | Latin Name | Pinyin Name | Chinese Name |
|---|---|---|---|
| TCMH1133 | Rosa laevigata | Jin Ying Zi | 金樱子 |
| TCMH1134 | Rosa laevigata | Jin Ying Zi Rou | 金樱子肉 |
| TCMH1135 | Rosa laevigata | Jin Ying Zi Ti Qu Ye | 金樱子提取液 |
| TCMH123 | Pteris semipinnata | Ban Bian Qi | 半边旗 |
| TCMH1275 | Nelumbo nucifera | Lian Zi | 莲子 |
| TCMH1276 | Nelumbo nucifera | Lian Zi Xin | 莲子心 |
| TCMH1446 | Vaccinium oxycoccos | Man Yue Mei | 蔓越莓 |
| TCMH1466 | Rosa rugosa | Mei Gui Hua | 玫瑰花 |
| TCMH1518 | Chaenomeles sinensis | Mu Gua | 木瓜 |
| TCMH1598 | Nelumbo nucifera | Ou | 藕 |
Showing 1 to 10 of 26 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: TCMC2642
Formula: C17H9NO3
Ingredient ID: TCMC2642
| Common Name | Liriodenine |
| IUPAC Name | n.a. |
| Canonical SMILES | O=C1c2ccccc2c2c3c1nccc3cc1c2OCO1 |
| Standard InCHI | InChI=1S/C17H9NO3/c19-16-11-4-2-1-3-10(11)14-13-9(5-6-18-15(13)16)7-12-17(14)21-8-20-12/h1-7H,8H2 |
| Standard InCHIKey | MUMCCPUVOAUBAN-UHFFFAOYSA-N |
| External Identifiers | ChEMBL [CHEMBL37736]; PubChem [10144]; |
| Reference of Component-Ingredient Pair | 21960256 |
Occurrence of the ingredient across TCM components
| Component ID | Latin Name | Pinyin Name | Chinese Name |
|---|---|---|---|
| TCMH1275 | Nelumbo nucifera | Lian Zi | 莲子 |
| TCMH1276 | Nelumbo nucifera | Lian Zi Xin | 莲子心 |
| TCMH1460 | Zanthoxylum nitidum | Mao Liang Mian Zhen | 毛两面针 |
| TCMH1598 | Nelumbo nucifera | Ou | 藕 |
| TCMH1599 | Nelumbo nucifera | Ou Fen | 藕粉 |
| TCMH1601 | Nelumbo nucifera | Ou Pian | 藕片 |
| TCMH204 | Xanthium sibiricum | Cang Er | 苍耳 |
| TCMH205 | Xanthium sibiricum | Cang Er Cao | 苍耳草 |
| TCMH213 | Boschniakia rossica | Cao Cong Rong | 草苁蓉 |
| TCMH249 | Aquilaria agallocha | Chen Xiang | 沉香 |
Showing 1 to 10 of 23 entries
Ingredient ID: TCMC2617
Formula: C30H26O12
Ingredient ID: TCMC2617
| Common Name | Catechin-(4Alpha->6)-Catechin |
| IUPAC Name | (2R,3S)-2-(3,4-dihydroxyphenyl)-6-[(2R,3S,4R)-2-(3,4-dihydroxyphenyl)-3,5,7-trihydroxy-3,4-dihydro-2H-chromen-4-yl]-3,4-dihydro-2H-chromene-3,5,7-triol |
| Canonical SMILES | Oc1cc(O)c2c(c1)O[C@@H]([C@H]([C@@H]2c1c(O)cc2c(c1O)C[C@@H]([C@H](O2)c1ccc(c(c1)O)O)O)O)c1ccc(c(c1)O)O |
| Standard InCHI | InChI=1S/C30H26O12/c31-13-7-19(36)24-23(8-13)42-30(12-2-4-16(33)18(35)6-12)28(40)26(24)25-20(37)10-22-14(27(25)39)9-21(38)29(41-22)11-1-3-15(32)17(34)5-11/h1-8,10,21,26,28-40H,9H2/t21-,26-,28-,29+,30+/m0/s1 |
| Standard InCHIKey | GMISZFQPFDAPGI-ZBRHZRBFSA-N |
| External Identifiers | ChEMBL [CHEMBL502984]; PubChem [474540]; |
| Reference of Component-Ingredient Pair | N/A |
Occurrence of the ingredient across TCM components
| Component ID | Latin Name | Pinyin Name | Chinese Name |
|---|---|---|---|
| TCMH1275 | Nelumbo nucifera | Lian Zi | 莲子 |
| TCMH1276 | Nelumbo nucifera | Lian Zi Xin | 莲子心 |
| TCMH1446 | Vaccinium oxycoccos | Man Yue Mei | 蔓越莓 |
| TCMH1518 | Chaenomeles sinensis | Mu Gua | 木瓜 |
| TCMH1598 | Nelumbo nucifera | Ou | 藕 |
| TCMH1599 | Nelumbo nucifera | Ou Fen | 藕粉 |
| TCMH1601 | Nelumbo nucifera | Ou Pian | 藕片 |
| TCMH2129 | Eupolyphaga sinensis | Tu Bie Chong | 土鳖虫 |
| TCMH2232 | Scutellaria amoena | Xi Nan Huang Qin | 西南黄芩 |
| TCMH814 | Nelumbo nucifera | He Geng | 荷梗 |
Showing 1 to 10 of 11 entries
Ingredient ID: TCMC2602
Formula: C37H40N2O6
Ingredient ID: TCMC2602
| Common Name | n.a. |
| IUPAC Name | n.a. |
| Canonical SMILES | COc1cc2CCN([C@@H]3c2cc1Oc1c2c(CCN([C@H]2Cc2ccc(Oc4cc(C3)ccc4O)cc2)C)cc(c1OC)OC)C |
| Standard InCHI | InChI=1S/C37H40N2O6/c1-38-14-12-24-19-32(41-3)33-21-27(24)28(38)17-23-8-11-30(40)31(18-23)44-26-9-6-22(7-10-26)16-29-35-25(13-15-39(29)2)20-34(42-4)36(43-5)37(35)45-33/h6-11,18-21,28-29,40H,12-17H2,1-5H3/t28-,29-/m0/s1 |
| Standard InCHIKey | HGNHIFJNOKGSKI-VMPREFPWSA-N |
| External Identifiers | ChEMBL [CHEMBL510022]; PubChem [10031631]; |
| Reference of Component-Ingredient Pair | N/A |
Occurrence of the ingredient across TCM components
| Component ID | Latin Name | Pinyin Name | Chinese Name |
|---|---|---|---|
| TCMH1275 | Nelumbo nucifera | Lian Zi | 莲子 |
| TCMH1276 | Nelumbo nucifera | Lian Zi Xin | 莲子心 |
| TCMH1416 | Thalictrum foliolosum | Ma Wei Lian | 马尾连 |
| TCMH1598 | Nelumbo nucifera | Ou | 藕 |
| TCMH1599 | Nelumbo nucifera | Ou Fen | 藕粉 |
| TCMH1601 | Nelumbo nucifera | Ou Pian | 藕片 |
| TCMH1764 | Cortex berberidis | San Ke Zhen | 三棵针 |
| TCMH1765 | Cortex berberidis | San Ke Zhen Pi | 三棵针皮 |
| TCMH2286 | Berberis julianae | Xiao Bo Gen | 小檗根 |
| TCMH814 | Nelumbo nucifera | He Geng | 荷梗 |
Showing 1 to 10 of 11 entries
Ingredient ID: TCMC2581
Formula: C12H26O
Ingredient ID: TCMC2581
| Common Name | Dodecanol |
| IUPAC Name | dodecan-1-ol |
| Canonical SMILES | CCCCCCCCCCCCO |
| Standard InCHI | InChI=1S/C12H26O/c1-2-3-4-5-6-7-8-9-10-11-12-13/h13H,2-12H2,1H3 |
| Standard InCHIKey | LQZZUXJYWNFBMV-UHFFFAOYSA-N |
| External Identifiers | ChEMBL [CHEMBL24722]; PubChem [8193]; |
| Reference of Component-Ingredient Pair | 29968805 |
Occurrence of the ingredient across TCM components
| Component ID | Latin Name | Pinyin Name | Chinese Name |
|---|---|---|---|
| TCMH12 | Artemisia argyi | Ai Ye | 艾叶 |
| 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 |
| TCMH1518 | Chaenomeles sinensis | Mu Gua | 木瓜 |
| TCMH1598 | Nelumbo nucifera | Ou | 藕 |
| TCMH1599 | Nelumbo nucifera | Ou Fen | 藕粉 |
| TCMH1601 | Nelumbo nucifera | Ou Pian | 藕片 |
| TCMH1721 | Panax ginseng | Ren Shen | 人参 |
| TCMH1728 | Panax ginseng | Ren Shen Ye | 人参叶 |
Showing 1 to 10 of 19 entries
Ingredient ID: TCMC2580
Formula: C30H26O12
Ingredient ID: TCMC2580
| Common Name | Procyanidin B2 |
| IUPAC Name | (2R,3R)-2-(3,4-dihydroxyphenyl)-8-[(2R,3R,4R)-2-(3,4-dihydroxyphenyl)-3,5,7-trihydroxy-3,4-dihydro-2H-chromen-4-yl]-3,4-dihydro-2H-chromene-3,5,7-triol |
| Canonical SMILES | Oc1cc(O)c2c(c1)O[C@@H]([C@@H]([C@H]2c1c(O)cc(c2c1O[C@@H]([C@@H](C2)O)c1ccc(c(c1)O)O)O)O)c1ccc(c(c1)O)O |
| Standard InCHI | InChI=1S/C30H26O12/c31-13-7-20(37)24-23(8-13)41-29(12-2-4-16(33)19(36)6-12)27(40)26(24)25-21(38)10-17(34)14-9-22(39)28(42-30(14)25)11-1-3-15(32)18(35)5-11/h1-8,10,22,26-29,31-40H,9H2/t22-,26-,27-,28-,29-/m1/s1 |
| Standard InCHIKey | XFZJEEAOWLFHDH-NFJBMHMQSA-N |
| External Identifiers | ChEMBL [CHEMBL38714]; PubChem [122738]; |
| Reference of Component-Ingredient Pair | 16536579 |
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 |
| TCMH123 | Pteris semipinnata | Ban Bian Qi | 半边旗 |
| TCMH1275 | Nelumbo nucifera | Lian Zi | 莲子 |
| TCMH1276 | Nelumbo nucifera | Lian Zi Xin | 莲子心 |
| TCMH1367 | Apocynum venetum | Luo Bu Ma | 罗布麻 |
| TCMH1446 | Vaccinium oxycoccos | Man Yue Mei | 蔓越莓 |
| TCMH1518 | Chaenomeles sinensis | Mu Gua | 木瓜 |
| TCMH1598 | Nelumbo nucifera | Ou | 藕 |
| TCMH1599 | Nelumbo nucifera | Ou Fen | 藕粉 |
| TCMH1601 | Nelumbo nucifera | Ou Pian | 藕片 |
Showing 1 to 10 of 40 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: TCMC2528
Formula: C18H13NO3
Ingredient ID: TCMC2528
| Common Name | Lysicamine |
| IUPAC Name | n.a. |
| Canonical SMILES | COc1c(OC)cc2c3c1c1ccccc1C(=O)c3ncc2 |
| Standard InCHI | InChI=1S/C18H13NO3/c1-21-13-9-10-7-8-19-16-14(10)15(18(13)22-2)11-5-3-4-6-12(11)17(16)20/h3-9H,1-2H3 |
| Standard InCHIKey | DPBMWJXWUINLQT-UHFFFAOYSA-N |
| External Identifiers | ChEMBL [CHEMBL510090]; PubChem [122691]; |
| Reference of Component-Ingredient Pair | 23445637 |
Occurrence of the ingredient across TCM components
| Component ID | Latin Name | Pinyin Name | Chinese Name |
|---|---|---|---|
| TCMH1275 | Nelumbo nucifera | Lian Zi | 莲子 |
| TCMH1276 | Nelumbo nucifera | Lian Zi Xin | 莲子心 |
| TCMH1285 | Orobanche coerulescens | Lie Dang | 列当 |
| TCMH1598 | Nelumbo nucifera | Ou | 藕 |
| TCMH1599 | Nelumbo nucifera | Ou Fen | 藕粉 |
| TCMH1601 | Nelumbo nucifera | Ou Pian | 藕片 |
| TCMH1662 | Pharbitis nil | Qian Niu Zi | 牵牛子 |
| TCMH2051 | Ziziphus jujuba var. spinosa | Suan Zao | 酸枣 |
| TCMH2052 | Ziziphus jujuba var. spinosa | Suan Zao Ren | 酸枣仁 |
| TCMH213 | Boschniakia rossica | Cao Cong Rong | 草苁蓉 |
Showing 1 to 10 of 22 entries
Ingredient ID: TCMC25
Formula: C15H12O7
Ingredient ID: TCMC25
| Common Name | (+)-Epitaxifolin |
| IUPAC Name | (2S,3R)-2-(3,4-dihydroxyphenyl)-3,5,7-trihydroxy-2,3-dihydrochromen-4-one |
| Canonical SMILES | Oc1cc2O[C@@H](c3ccc(c(c3)O)O)[C@H](C(=O)c2c(c1)O)O |
| Standard InCHI | InChI=1S/C15H12O7/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/h1-5,14-19,21H/t14-,15-/m0/s1 |
| Standard InCHIKey | CXQWRCVTCMQVQX-GJZGRUSLSA-N |
| External Identifiers | ChEMBL [CHEMBL9249]; PubChem [443758]; |
| Reference of Component-Ingredient Pair | N/A |
Occurrence of the ingredient across TCM components
| Component ID | Latin Name | Pinyin Name | Chinese Name |
|---|---|---|---|
| TCMH1275 | Nelumbo nucifera | Lian Zi | 莲子 |
| TCMH1276 | Nelumbo nucifera | Lian Zi Xin | 莲子心 |
| TCMH1598 | Nelumbo nucifera | Ou | 藕 |
| TCMH1599 | Nelumbo nucifera | Ou Fen | 藕粉 |
| TCMH1601 | Nelumbo nucifera | Ou Pian | 藕片 |
| TCMH1792 | Morus alba | Sang Pi | 桑皮 |
| TCMH1797 | Morus alba | Sang Ye | 桑叶 |
| TCMH1798 | Morus alba | Sang Zhi | 桑枝 |
| TCMH37 | Smilax china | Ba Qia | 菝葜 |
| TCMH814 | Nelumbo nucifera | He Geng | 荷梗 |
Showing 1 to 10 of 11 entries
Ingredient ID: TCMC2491
Formula: C3H6O2
Ingredient ID: TCMC2491
| Common Name | Propionic Acid |
| IUPAC Name | propanoic acid |
| Canonical SMILES | CCC(=O)O |
| Standard InCHI | InChI=1S/C3H6O2/c1-2-3(4)5/h2H2,1H3,(H,4,5) |
| Standard InCHIKey | XBDQKXXYIPTUBI-UHFFFAOYSA-N |
| External Identifiers | ChEMBL [CHEMBL14021]; PubChem [1032]; |
| Reference of Component-Ingredient Pair | 22199215 |
Occurrence of the ingredient across TCM components
| Component ID | Latin Name | Pinyin Name | Chinese Name |
|---|---|---|---|
| TCMH1150 | Gynura segetum | Jing Tian San Qi | 景天三七 |
| TCMH1185 | Lycium chinense | Gou Qi | 枸杞 |
| TCMH1186 | Lycium chinense | Gou Qi Zi | 枸杞子 |
| TCMH1275 | Nelumbo nucifera | Lian Zi | 莲子 |
| TCMH1276 | Nelumbo nucifera | Lian Zi Xin | 莲子心 |
| TCMH1431 | Vitex trifolia | Man Jing Ye | 蔓荆叶 |
| TCMH1432 | Vitex trifolia | Man Jing Zi | 蔓荆子 |
| TCMH1598 | Nelumbo nucifera | Ou | 藕 |
| TCMH1599 | Nelumbo nucifera | Ou Fen | 藕粉 |
| TCMH1601 | Nelumbo nucifera | Ou Pian | 藕片 |
Showing 1 to 10 of 51 entries
Ingredient ID: TCMC2489
Formula: C18H21NO3
Ingredient ID: TCMC2489
| Common Name | (1S)-N-Methyl-Coclaurine |
| IUPAC Name | (1S)-1-[(4-hydroxyphenyl)methyl]-6-methoxy-2-methyl-3,4-dihydro-1H-isoquinolin-7-ol |
| Canonical SMILES | COc1cc2CCN([C@H](c2cc1O)Cc1ccc(cc1)O)C |
| Standard InCHI | InChI=1S/C18H21NO3/c1-19-8-7-13-10-18(22-2)17(21)11-15(13)16(19)9-12-3-5-14(20)6-4-12/h3-6,10-11,16,20-21H,7-9H2,1-2H3/t16-/m0/s1 |
| Standard InCHIKey | BOKVLBSSPUTWLV-INIZCTEOSA-N |
| External Identifiers | ChEMBL [CHEMBL513109]; PubChem [440584]; |
| Reference of Component-Ingredient Pair | N/A |
Occurrence of the ingredient across TCM components
| Component ID | Latin Name | Pinyin Name | Chinese Name |
|---|---|---|---|
| TCMH1275 | Nelumbo nucifera | Lian Zi | 莲子 |
| TCMH1276 | Nelumbo nucifera | Lian Zi Xin | 莲子心 |
| TCMH1485 | Aglaia odorata | Mi Lan Hua | 米兰花 |
| TCMH1598 | Nelumbo nucifera | Ou | 藕 |
| TCMH1599 | Nelumbo nucifera | Ou Fen | 藕粉 |
| TCMH1601 | Nelumbo nucifera | Ou Pian | 藕片 |
| TCMH814 | Nelumbo nucifera | He Geng | 荷梗 |
| TCMH825 | Nelumbo nucifera | He Ye | 荷叶 |
Showing 1 to 8 of 8 entries
Ingredient ID: TCMC2454
Formula: C30H26O12
Ingredient ID: TCMC2454
| Common Name | Catechin-(4Alpha->6)-Epicatechin |
| IUPAC Name | (2R,3R)-2-(3,4-dihydroxyphenyl)-6-[(2R,3S,4R)-2-(3,4-dihydroxyphenyl)-3,5,7-trihydroxy-3,4-dihydro-2H-chromen-4-yl]-3,4-dihydro-2H-chromene-3,5,7-triol |
| Canonical SMILES | Oc1cc(O)c2c(c1)O[C@@H]([C@H]([C@@H]2c1c(O)cc2c(c1O)C[C@H]([C@H](O2)c1ccc(c(c1)O)O)O)O)c1ccc(c(c1)O)O |
| Standard InCHI | InChI=1S/C30H26O12/c31-13-7-19(36)24-23(8-13)42-30(12-2-4-16(33)18(35)6-12)28(40)26(24)25-20(37)10-22-14(27(25)39)9-21(38)29(41-22)11-1-3-15(32)17(34)5-11/h1-8,10,21,26,28-40H,9H2/t21-,26+,28+,29-,30-/m1/s1 |
| Standard InCHIKey | GMISZFQPFDAPGI-JJYFIROESA-N |
| External Identifiers | ChEMBL [CHEMBL451115]; PubChem [474541]; |
| Reference of Component-Ingredient Pair | 19778575 |
Occurrence of the ingredient across TCM components
| Component ID | Latin Name | Pinyin Name | Chinese Name |
|---|---|---|---|
| TCMH1275 | Nelumbo nucifera | Lian Zi | 莲子 |
| TCMH1276 | Nelumbo nucifera | Lian Zi Xin | 莲子心 |
| TCMH1446 | Vaccinium oxycoccos | Man Yue Mei | 蔓越莓 |
| TCMH1518 | Chaenomeles sinensis | Mu Gua | 木瓜 |
| TCMH1598 | Nelumbo nucifera | Ou | 藕 |
| TCMH1599 | Nelumbo nucifera | Ou Fen | 藕粉 |
| TCMH1601 | Nelumbo nucifera | Ou Pian | 藕片 |
| TCMH2129 | Eupolyphaga sinensis | Tu Bie Chong | 土鳖虫 |
| TCMH2232 | Scutellaria amoena | Xi Nan Huang Qin | 西南黄芩 |
| TCMH2584 | Cinnamomum camphora | Zhang Mu | 樟木 |
Showing 1 to 10 of 16 entries
Ingredient ID: TCMC243
Formula: C19H38O4
Ingredient ID: TCMC243
| Common Name | 1,3-Dihydroxypropan-2-Yl Hexadecanoate |
| IUPAC Name | 1,3-dihydroxypropan-2-yl hexadecanoate |
| Canonical SMILES | CCCCCCCCCCCCCCCC(=O)OC(CO)CO |
| Standard InCHI | InChI=1S/C19H38O4/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-19(22)23-18(16-20)17-21/h18,20-21H,2-17H2,1H3 |
| Standard InCHIKey | BBNYCLAREVXOSG-UHFFFAOYSA-N |
| External Identifiers | ChEMBL [CHEMBL1317070]; PubChem [123409]; |
| Reference of Component-Ingredient Pair | N/A |
Occurrence of the ingredient across TCM components
| Component ID | Latin Name | Pinyin Name | Chinese Name |
|---|---|---|---|
| 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 |
| TCMH1598 | Nelumbo nucifera | Ou | 藕 |
| TCMH1599 | Nelumbo nucifera | Ou Fen | 藕粉 |
| TCMH1601 | Nelumbo nucifera | Ou Pian | 藕片 |
| TCMH1721 | Panax ginseng | Ren Shen | 人参 |
| TCMH1728 | Panax ginseng | Ren Shen Ye | 人参叶 |
| TCMH1839 | Panax ginseng | Shan Shen | 山参 |
| TCMH1862 | Cornus officinalis | Shan Zhu Yu | 山茱萸 |
Showing 1 to 10 of 12 entries
Ingredient ID: TCMC24
Formula: C15H14O6
Ingredient ID: TCMC24
| Common Name | (+)-Epicatechin |
| IUPAC Name | (2S,3S)-2-(3,4-dihydroxyphenyl)-3,4-dihydro-2H-chromene-3,5,7-triol |
| Canonical SMILES | Oc1cc2O[C@@H](c3ccc(c(c3)O)O)[C@H](Cc2c(c1)O)O |
| Standard InCHI | InChI=1S/C15H14O6/c16-8-4-11(18)9-6-13(20)15(21-14(9)5-8)7-1-2-10(17)12(19)3-7/h1-5,13,15-20H,6H2/t13-,15-/m0/s1 |
| Standard InCHIKey | PFTAWBLQPZVEMU-ZFWWWQNUSA-N |
| External Identifiers | ChEMBL [CHEMBL129482]; PubChem [182232]; |
| Reference of Component-Ingredient Pair | 20213173 |
Occurrence of the ingredient across TCM components
| Component ID | Latin Name | Pinyin Name | Chinese Name |
|---|---|---|---|
| TCMH1011 | Sargentodoxa cuneata | Huo Xue Teng | 活血藤 |
| TCMH1033 | Centella asiatica | Ji Xue Cao | 积雪草 |
| TCMH108 | Perilla frutescens | Bai Su Zi | 白苏子 |
| TCMH1117 | Rhizoma fagopyri cymosi | Jin Qiao Mai | 金荞麦 |
| TCMH1133 | Rosa laevigata | Jin Ying Zi | 金樱子 |
| TCMH1134 | Rosa laevigata | Jin Ying Zi Rou | 金樱子肉 |
| TCMH1135 | Rosa laevigata | Jin Ying Zi Ti Qu Ye | 金樱子提取液 |
| TCMH1165 | Murraya paniculata | Jiu Li Xiang | 九里香 |
| TCMH1264 | Litchi chinensis | Li Zhi He | 荔枝核 |
| TCMH1275 | Nelumbo nucifera | Lian Zi | 莲子 |
Showing 1 to 10 of 79 entries
Ingredient ID: TCMC2391
Formula: C11H24O
Ingredient ID: TCMC2391
| Common Name | Undecanol |
| IUPAC Name | undecan-1-ol |
| Canonical SMILES | CCCCCCCCCCCO |
| Standard InCHI | InChI=1S/C11H24O/c1-2-3-4-5-6-7-8-9-10-11-12/h12H,2-11H2,1H3 |
| Standard InCHIKey | KJIOQYGWTQBHNH-UHFFFAOYSA-N |
| External Identifiers | ChEMBL [CHEMBL444525]; PubChem [8184]; |
| 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 |
| TCMH123 | Pteris semipinnata | Ban Bian Qi | 半边旗 |
| TCMH1275 | Nelumbo nucifera | Lian Zi | 莲子 |
| TCMH1276 | Nelumbo nucifera | Lian Zi Xin | 莲子心 |
| TCMH1598 | Nelumbo nucifera | Ou | 藕 |
| TCMH1599 | Nelumbo nucifera | Ou Fen | 藕粉 |
| TCMH1601 | Nelumbo nucifera | Ou Pian | 藕片 |
| TCMH814 | Nelumbo nucifera | He Geng | 荷梗 |
| TCMH825 | Nelumbo nucifera | He Ye | 荷叶 |
Showing 1 to 9 of 9 entries
Ingredient ID: TCMC233
Formula: C9H11N
Ingredient ID: TCMC233
| Common Name | 1,2,3,4-Tetrahydroisoquinoline |
| IUPAC Name | 1,2,3,4-tetrahydroisoquinoline |
| Canonical SMILES | N1CCc2c(C1)cccc2 |
| Standard InCHI | InChI=1S/C9H11N/c1-2-4-9-7-10-6-5-8(9)3-1/h1-4,10H,5-7H2 |
| Standard InCHIKey | UWYZHKAOTLEWKK-UHFFFAOYSA-N |
| External Identifiers | ChEMBL [CHEMBL14346]; PubChem [7046]; |
| Reference of Component-Ingredient Pair | N/A |
Occurrence of the ingredient across TCM components
| Component ID | Latin Name | Pinyin Name | Chinese Name |
|---|---|---|---|
| TCMH1275 | Nelumbo nucifera | Lian Zi | 莲子 |
| TCMH1276 | Nelumbo nucifera | Lian Zi Xin | 莲子心 |
| TCMH1598 | Nelumbo nucifera | Ou | 藕 |
| TCMH1599 | Nelumbo nucifera | Ou Fen | 藕粉 |
| TCMH1601 | Nelumbo nucifera | Ou Pian | 藕片 |
| TCMH814 | Nelumbo nucifera | He Geng | 荷梗 |
| TCMH825 | Nelumbo nucifera | He Ye | 荷叶 |
Showing 1 to 7 of 7 entries
Ingredient ID: TCMC2325
Formula: C21H20O11
Ingredient ID: TCMC2325
| Common Name | Trifolin |
| IUPAC Name | 5,7-dihydroxy-2-(4-hydroxyphenyl)-3-[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxychromen-4-one |
| Canonical SMILES | OC[C@H]1O[C@@H](Oc2c(oc3c(c2=O)c(O)cc(c3)O)c2ccc(cc2)O)[C@@H]([C@H]([C@H]1O)O)O |
| Standard InCHI | InChI=1S/C21H20O11/c22-7-13-15(26)17(28)18(29)21(31-13)32-20-16(27)14-11(25)5-10(24)6-12(14)30-19(20)8-1-3-9(23)4-2-8/h1-6,13,15,17-18,21-26,28-29H,7H2/t13-,15+,17+,18-,21+/m1/s1 |
| Standard InCHIKey | JPUKWEQWGBDDQB-DTGCRPNFSA-N |
| External Identifiers | ChEMBL [CHEMBL453290]; PubChem [5282149]; |
| Reference of Component-Ingredient Pair | 17072829 |
Occurrence of the ingredient across TCM components
| Component ID | Latin Name | Pinyin Name | Chinese Name |
|---|---|---|---|
| TCMH1275 | Nelumbo nucifera | Lian Zi | 莲子 |
| TCMH1276 | Nelumbo nucifera | Lian Zi Xin | 莲子心 |
| TCMH1367 | Apocynum venetum | Luo Bu Ma | 罗布麻 |
| TCMH1435 | Psychotria serpens | Man Jiu Jie | 蔓九节 |
| TCMH1598 | Nelumbo nucifera | Ou | 藕 |
| TCMH1599 | Nelumbo nucifera | Ou Fen | 藕粉 |
| TCMH1601 | Nelumbo nucifera | Ou Pian | 藕片 |
| TCMH1721 | Panax ginseng | Ren Shen | 人参 |
| TCMH1728 | Panax ginseng | Ren Shen Ye | 人参叶 |
| TCMH1839 | Panax ginseng | Shan Shen | 山参 |
Showing 1 to 10 of 25 entries
Ingredient ID: TCMC226
Formula: C16H17NO3
Ingredient ID: TCMC226
| Common Name | 1-(4-Hydroxy-Benzyl)-1,2,3,4-Tetrahydro-Isoquinoline-6,7-Diol |
| IUPAC Name | 1-[(4-hydroxyphenyl)methyl]-1,2,3,4-tetrahydroisoquinoline-6,7-diol |
| Canonical SMILES | Oc1ccc(cc1)CC1NCCc2c1cc(O)c(c2)O |
| Standard InCHI | InChI=1S/C16H17NO3/c18-12-3-1-10(2-4-12)7-14-13-9-16(20)15(19)8-11(13)5-6-17-14/h1-4,8-9,14,17-20H,5-7H2 |
| Standard InCHIKey | WZRCQWQRFZITDX-UHFFFAOYSA-N |
| External Identifiers | ChEMBL [CHEMBL19344]; PubChem [114840]; |
| Reference of Component-Ingredient Pair | N/A |
Occurrence of the ingredient across TCM components
| Component ID | Latin Name | Pinyin Name | Chinese Name |
|---|---|---|---|
| TCMH1275 | Nelumbo nucifera | Lian Zi | 莲子 |
| TCMH1276 | Nelumbo nucifera | Lian Zi Xin | 莲子心 |
| TCMH1598 | Nelumbo nucifera | Ou | 藕 |
| TCMH1599 | Nelumbo nucifera | Ou Fen | 藕粉 |
| TCMH1601 | Nelumbo nucifera | Ou Pian | 藕片 |
| TCMH1898 | Aconitum carmichaeli | Sheng Fu Zi | 生附子 |
| TCMH1968 | Aconitum carmichaeli | Shu Fu Kuai | 熟附块 |
| TCMH1969 | Aconitum carmichaeli | Shu Fu Pian | 熟附片 |
| TCMH2239 | Asarum sieboldii | Xi Xin | 细辛 |
| TCMH399 | Aconitum carmichaeli | Dan Fu Pian | 淡附片 |
Showing 1 to 10 of 15 entries
Ingredient ID: TCMC2233
Formula: C21H20O10
Ingredient ID: TCMC2233
| Common Name | Vitexin |
| IUPAC Name | 5,7-dihydroxy-2-(4-hydroxyphenyl)-8-[(2S,3R,4R,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]chromen-4-one |
| Canonical SMILES | OC[C@H]1O[C@H]([C@@H]([C@H]([C@@H]1O)O)O)c1c(O)cc(c2c1oc(cc2=O)c1ccc(cc1)O)O |
| Standard InCHI | InChI=1S/C21H20O10/c22-7-14-17(27)18(28)19(29)21(31-14)16-11(25)5-10(24)15-12(26)6-13(30-20(15)16)8-1-3-9(23)4-2-8/h1-6,14,17-19,21-25,27-29H,7H2/t14-,17-,18+,19-,21+/m1/s1 |
| Standard InCHIKey | SGEWCQFRYRRZDC-VPRICQMDSA-N |
| External Identifiers | ChEMBL [CHEMBL487417]; PubChem [5280441]; |
| Reference of Component-Ingredient Pair | 22475010 |
Occurrence of the ingredient across TCM components
| Component ID | Latin Name | Pinyin Name | Chinese Name |
|---|---|---|---|
| TCMH1005 | Cannabis sativa | Huo Ma Ren | 火麻仁 |
| TCMH1039 | Kummerowia striata | Ji Yan Cao | 鸡眼草 |
| TCMH1073 | Gynostemma pentaphyllum | Jiao Gu Lan | 绞股蓝 |
| 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 |
| TCMH1431 | Vitex trifolia | Man Jing Ye | 蔓荆叶 |
| TCMH1432 | Vitex trifolia | Man Jing Zi | 蔓荆子 |
Showing 1 to 10 of 54 entries
Ingredient ID: TCMC2222
Formula: C8H8O4
Ingredient ID: TCMC2222
| Common Name | Vanillic Acid |
| IUPAC Name | 4-hydroxy-3-methoxybenzoic acid |
| Canonical SMILES | COc1cc(ccc1O)C(=O)O |
| Standard InCHI | InChI=1S/C8H8O4/c1-12-7-4-5(8(10)11)2-3-6(7)9/h2-4,9H,1H3,(H,10,11) |
| Standard InCHIKey | WKOLLVMJNQIZCI-UHFFFAOYSA-N |
| External Identifiers | ChEMBL [CHEMBL120568]; PubChem [8468]; |
| Reference of Component-Ingredient Pair | 23800587 |
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 |
| TCMH1064 | Coptis chinensis | Jiang Huang Lian | 姜黄连 |
| TCMH108 | Perilla frutescens | Bai Su Zi | 白苏子 |
| TCMH1086 | Sambucus williamsii | Jie Gu Mu | 接骨木 |
| TCMH1105 | Trollius chinensis | Jin Lian Hua | 金莲花 |
| TCMH1127 | Lonicera japonica | Jin Yin Hua | 金银花 |
| TCMH1128 | Lonicera japonica | Jin Yin Hua Ti Qu Ye | 金银花提取液 |
Showing 1 to 10 of 168 entries
Ingredient ID: TCMC2197
Formula: C11H12N2O2
Ingredient ID: TCMC2197
| Common Name | Tryptophan |
| IUPAC Name | (2S)-2-amino-3-(1H-indol-3-yl)propanoic acid |
| Canonical SMILES | OC(=O)[C@H](Cc1c[nH]c2c1cccc2)N |
| Standard InCHI | InChI=1S/C11H12N2O2/c12-9(11(14)15)5-7-6-13-10-4-2-1-3-8(7)10/h1-4,6,9,13H,5,12H2,(H,14,15)/t9-/m0/s1 |
| Standard InCHIKey | QIVBCDIJIAJPQS-VIFPVBQESA-N |
| External Identifiers | ChEMBL [CHEMBL54976]; PubChem [6305]; |
| 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 |
| TCMH108 | Perilla frutescens | Bai Su Zi | 白苏子 |
| TCMH1090 | Brassica juncea | Jie Zi | 芥子 |
| TCMH126 | Isatis indigotica | Ban Lan | 板蓝 |
| TCMH127 | Isatis indigotica | Ban Lan Gen | 板蓝根 |
| TCMH1275 | Nelumbo nucifera | Lian Zi | 莲子 |
| TCMH1276 | Nelumbo nucifera | Lian Zi Xin | 莲子心 |
| TCMH130 | Pinellia ternata | Ban Xia | 半夏 |
Showing 1 to 10 of 39 entries
Ingredient ID: TCMC2182
Formula: C20H40O
Ingredient ID: TCMC2182
| Common Name | Trans-Phytol |
| IUPAC Name | (E,7R,11R)-3,7,11,15-tetramethylhexadec-2-en-1-ol |
| Canonical SMILES | OC/C=C(/CCC[C@@H](CCC[C@@H](CCCC(C)C)C)C)C |
| Standard InCHI | InChI=1S/C20H40O/c1-17(2)9-6-10-18(3)11-7-12-19(4)13-8-14-20(5)15-16-21/h15,17-19,21H,6-14,16H2,1-5H3/b20-15+/t18-,19-/m1/s1 |
| Standard InCHIKey | BOTWFXYSPFMFNR-PYDDKJGSSA-N |
| External Identifiers | ChEMBL [CHEMBL1644111]; PubChem [5280435]; |
| Reference of Component-Ingredient Pair | 28344896 |
Occurrence of the ingredient across TCM components
| Component ID | Latin Name | Pinyin Name | Chinese Name |
|---|---|---|---|
| TCMH1053 | Saponaria officinalis | Jian Hua | 碱花 |
| TCMH108 | Perilla frutescens | Bai Su Zi | 白苏子 |
| TCMH114 | Platycladus orientalis | Bai Ye | 柏叶 |
| TCMH1178 | Citrus reticulata | Ju He | 橘核 |
| TCMH1184 | Citrus reticulata | Ju Pi | 橘皮 |
| 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 |
| TCMH1437 | Rhododendron dauricum | Man Shan Hong | 满山红 |
| TCMH147 | Glehnia littoralis | Bei Sha Shen | 北沙参 |
Showing 1 to 10 of 46 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: TCMC2137
Formula: C15H12O7
Ingredient ID: TCMC2137
| Common Name | Taxifolin |
| IUPAC Name | 2-(3,4-dihydroxyphenyl)-3,5,7-trihydroxy-2,3-dihydrochromen-4-one |
| Canonical SMILES | Oc1cc2OC(c3ccc(c(c3)O)O)C(C(=O)c2c(c1)O)O |
| Standard InCHI | InChI=1S/C15H12O7/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/h1-5,14-19,21H |
| Standard InCHIKey | CXQWRCVTCMQVQX-UHFFFAOYSA-N |
| External Identifiers | ChEMBL [CHEMBL337309]; PubChem [471]; |
| Reference of Component-Ingredient Pair | 30006874 |
Occurrence of the ingredient across TCM components
| Component ID | Latin Name | Pinyin Name | Chinese Name |
|---|---|---|---|
| TCMH1096 | Inula japonica | Jin Fei Cao | 金沸草 |
| TCMH1275 | Nelumbo nucifera | Lian Zi | 莲子 |
| TCMH1276 | Nelumbo nucifera | Lian Zi Xin | 莲子心 |
| TCMH1376 | Trachelospermum jasminoides | Luo Shi Teng | 络石藤 |
| TCMH143 | Albizia julibrissin | Bei He Huan | 北合欢 |
| TCMH1437 | Rhododendron dauricum | Man Shan Hong | 满山红 |
| TCMH1598 | Nelumbo nucifera | Ou | 藕 |
| TCMH1599 | Nelumbo nucifera | Ou Fen | 藕粉 |
| TCMH1601 | Nelumbo nucifera | Ou Pian | 藕片 |
| TCMH177 | Polygonum aviculare | Bian Xu | 萹蓄 |
Showing 1 to 10 of 18 entries
Ingredient ID: TCMC2119
Formula: C9H10O5
Ingredient ID: TCMC2119
| Common Name | Syringic Acid |
| IUPAC Name | 4-hydroxy-3,5-dimethoxybenzoic acid |
| Canonical SMILES | COc1cc(cc(c1O)OC)C(=O)O |
| Standard InCHI | InChI=1S/C9H10O5/c1-13-6-3-5(9(11)12)4-7(14-2)8(6)10/h3-4,10H,1-2H3,(H,11,12) |
| Standard InCHIKey | JMSVCTWVEWCHDZ-UHFFFAOYSA-N |
| External Identifiers | ChEMBL [CHEMBL1414]; PubChem [10742]; |
| Reference of Component-Ingredient Pair | 23800587 |
Occurrence of the ingredient across TCM components
| Component ID | Latin Name | Pinyin Name | Chinese Name |
|---|---|---|---|
| TCMH1000 | Foeniculum vulgare | Hui Xiang | 茴香 |
| TCMH1032 | Impatiens balsamina | Ji Xing Zi | 急性子 |
| TCMH1059 | Glycine max | Jiang | 姜 |
| TCMH1062 | Glycine max | Jiang Gao | 姜膏 |
| TCMH1067 | Glycine max | Jiang Tan | 姜炭 |
| TCMH1117 | Rhizoma fagopyri cymosi | Jin Qiao Mai | 金荞麦 |
| TCMH1178 | Citrus reticulata | Ju He | 橘核 |
| TCMH1184 | Citrus reticulata | Ju Pi | 橘皮 |
| TCMH1197 | Selaginella tamariscina | Juan Bai | 卷柏 |
| TCMH126 | Isatis indigotica | Ban Lan | 板蓝 |
Showing 1 to 10 of 78 entries
Ingredient ID: TCMC2118
Formula: C17H14O8
Ingredient ID: TCMC2118
| Common Name | Syringetin |
| IUPAC Name | 3,5,7-trihydroxy-2-(4-hydroxy-3,5-dimethoxyphenyl)chromen-4-one |
| Canonical SMILES | COc1cc(cc(c1O)OC)c1oc2cc(O)cc(c2c(=O)c1O)O |
| Standard InCHI | InChI=1S/C17H14O8/c1-23-11-3-7(4-12(24-2)14(11)20)17-16(22)15(21)13-9(19)5-8(18)6-10(13)25-17/h3-6,18-20,22H,1-2H3 |
| Standard InCHIKey | UZMAPBJVXOGOFT-UHFFFAOYSA-N |
| External Identifiers | ChEMBL [CHEMBL489142]; PubChem [5281953]; |
| Reference of Component-Ingredient Pair | 22662221 |
Occurrence of the ingredient across TCM components
| Component ID | Latin Name | Pinyin Name | Chinese Name |
|---|---|---|---|
| TCMH1025 | Loropetalum chinense | Ji Mu Ye Jin Gao | 继木叶浸膏 |
| TCMH1275 | Nelumbo nucifera | Lian Zi | 莲子 |
| TCMH1276 | Nelumbo nucifera | Lian Zi Xin | 莲子心 |
| TCMH1598 | Nelumbo nucifera | Ou | 藕 |
| TCMH1599 | Nelumbo nucifera | Ou Fen | 藕粉 |
| TCMH1601 | Nelumbo nucifera | Ou Pian | 藕片 |
| TCMH2506 | Ginkgo biloba | Yin Xing Ye | 银杏叶 |
| TCMH60 | Ginkgo biloba | Bai Guo | 白果 |
| TCMH61 | Ginkgo biloba | Bai Guo Ren | 白果仁 |
| TCMH814 | Nelumbo nucifera | He Geng | 荷梗 |
Showing 1 to 10 of 11 entries
Ingredient ID: TCMC2107
Formula: C29H48O
Ingredient ID: TCMC2107
| Common Name | Stigmasterol |
| IUPAC Name | (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-ol |
| 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 |
| Standard InCHI | InChI=1S/C29H48O/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/h8-10,19-21,23-27,30H,7,11-18H2,1-6H3/b9-8+/t20-,21-,23+,24+,25-,26+,27+,28+,29-/m1/s1 |
| Standard InCHIKey | HCXVJBMSMIARIN-PHZDYDNGSA-N |
| External Identifiers | ChEMBL [CHEMBL400247]; PubChem [5280794]; |
| Reference of Component-Ingredient Pair | 16261518 |
Occurrence of the ingredient across TCM components
| Component ID | Latin Name | Pinyin Name | Chinese Name |
|---|---|---|---|
| TCMH1005 | Cannabis sativa | Huo Ma Ren | 火麻仁 |
| TCMH1022 | Celosia cristata | Ji Guan Hua | 鸡冠花 |
| 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 |
| TCMH108 | Perilla frutescens | Bai Su Zi | 白苏子 |
| TCMH1096 | Inula japonica | Jin Fei Cao | 金沸草 |
| TCMH1121 | Cardiospermum halicacabum | Jin Si Ku Lian | 金丝苦楝 |
| TCMH1142 | Schizonepetae spica | Jing Jie Sui | 荆芥穗 |
Showing 1 to 10 of 110 entries
Ingredient ID: TCMC2105
Formula: C18H36O2
Ingredient ID: TCMC2105
| Common Name | Stearic Acid |
| IUPAC Name | octadecanoic acid |
| Canonical SMILES | CCCCCCCCCCCCCCCCCC(=O)O |
| Standard InCHI | InChI=1S/C18H36O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20/h2-17H2,1H3,(H,19,20) |
| Standard InCHIKey | QIQXTHQIDYTFRH-UHFFFAOYSA-N |
| External Identifiers | ChEMBL [CHEMBL46403]; PubChem [5281]; |
| Reference of Component-Ingredient Pair | 29968805 |
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 |
| 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 |
| TCMH1111 | Polygala glomerata | Jin Niu Cao | 金牛草 |
| TCMH114 | Platycladus orientalis | Bai Ye | 柏叶 |
| TCMH1142 | Schizonepetae spica | Jing Jie Sui | 荆芥穗 |
Showing 1 to 10 of 176 entries
Ingredient ID: TCMC2084
Formula: C11H12O5
Ingredient ID: TCMC2084
| Common Name | Sinapinate |
| IUPAC Name | (E)-3-(4-hydroxy-3,5-dimethoxyphenyl)prop-2-enoic acid |
| Canonical SMILES | COc1cc(/C=C/C(=O)O)cc(c1O)OC |
| Standard InCHI | InChI=1S/C11H12O5/c1-15-8-5-7(3-4-10(12)13)6-9(16-2)11(8)14/h3-6,14H,1-2H3,(H,12,13)/b4-3+ |
| Standard InCHIKey | PCMORTLOPMLEFB-ONEGZZNKSA-N |
| External Identifiers | ChEMBL [CHEMBL109341]; PubChem [637775]; |
| Reference of Component-Ingredient Pair | 25130191 |
Occurrence of the ingredient across TCM components
| Component ID | Latin Name | Pinyin Name | Chinese Name |
|---|---|---|---|
| TCMH108 | Perilla frutescens | Bai Su Zi | 白苏子 |
| TCMH1146 | Oryza sativa | Jing Mi | 粳米 |
| TCMH1178 | Citrus reticulata | Ju He | 橘核 |
| TCMH1184 | Citrus reticulata | Ju Pi | 橘皮 |
| TCMH1223 | Tussilago farfara | Kuan Dong Hua | 款冬花 |
| TCMH1275 | Nelumbo nucifera | Lian Zi | 莲子 |
| TCMH1276 | Nelumbo nucifera | Lian Zi Xin | 莲子心 |
| TCMH1343 | Aloe vera | Lu Hui | 芦荟 |
| TCMH1446 | Vaccinium oxycoccos | Man Yue Mei | 蔓越莓 |
| TCMH1483 | Tussilago farfara | Mi Kuan Dong Hua | 蜜款冬花 |
Showing 1 to 10 of 35 entries
Ingredient ID: TCMC2037
Formula: C7H6O3
Ingredient ID: TCMC2037
| Common Name | Salicylic Acid |
| IUPAC Name | 2-hydroxybenzoic acid |
| Canonical SMILES | OC(=O)c1ccccc1O |
| Standard InCHI | InChI=1S/C7H6O3/c8-6-4-2-1-3-5(6)7(9)10/h1-4,8H,(H,9,10) |
| Standard InCHIKey | YGSDEFSMJLZEOE-UHFFFAOYSA-N |
| External Identifiers | ChEMBL [CHEMBL424]; PubChem [338]; |
| Reference of Component-Ingredient Pair | 29968805 |
Occurrence of the ingredient across TCM components
| Component ID | Latin Name | Pinyin Name | Chinese Name |
|---|---|---|---|
| TCMH1033 | Centella asiatica | Ji Xue Cao | 积雪草 |
| TCMH1160 | Polygonatum sibiricum | Jiu Huang Jing | 酒黄精 |
| TCMH1178 | Citrus reticulata | Ju He | 橘核 |
| TCMH1184 | Citrus reticulata | Ju Pi | 橘皮 |
| TCMH1211 | Melia azedarach | Ku Lian Pi | 苦楝皮 |
| TCMH1212 | Melia azedarach | Ku Lian Zi | 苦楝子 |
| TCMH126 | Isatis indigotica | Ban Lan | 板蓝 |
| TCMH127 | Isatis indigotica | Ban Lan Gen | 板蓝根 |
| TCMH1275 | Nelumbo nucifera | Lian Zi | 莲子 |
| TCMH1276 | Nelumbo nucifera | Lian Zi Xin | 莲子心 |
Showing 1 to 10 of 62 entries
Ingredient ID: TCMC2031
Formula: C27H30O16
Ingredient ID: TCMC2031
| Common Name | Rutin |
| IUPAC Name | 2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-3-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-[[(2R,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxymethyl]oxan-2-yl]oxychromen-4-one |
| Canonical SMILES | Oc1cc(O)c2c(c1)oc(c(c2=O)O[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)c1ccc(c(c1)O)O |
| Standard InCHI | InChI=1S/C27H30O16/c1-8-17(32)20(35)22(37)26(40-8)39-7-15-18(33)21(36)23(38)27(42-15)43-25-19(34)16-13(31)5-10(28)6-14(16)41-24(25)9-2-3-11(29)12(30)4-9/h2-6,8,15,17-18,20-23,26-33,35-38H,7H2,1H3/t8-,15+,17-,18+,20+,21-,22+,23+,26+,27-/m0/s1 |
| Standard InCHIKey | IKGXIBQEEMLURG-NVPNHPEKSA-N |
| External Identifiers | ChEMBL [CHEMBL226335]; PubChem [5280805]; |
| Reference of Component-Ingredient Pair | 26408079 |
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 |
| TCMH1032 | Impatiens balsamina | Ji Xing Zi | 急性子 |
| TCMH1033 | Centella asiatica | Ji Xue Cao | 积雪草 |
| 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 |
| TCMH1127 | Lonicera japonica | Jin Yin Hua | 金银花 |
Showing 1 to 10 of 215 entries
Ingredient ID: TCMC2024
Formula: C18H17NO2
Ingredient ID: TCMC2024
| Common Name | Roemerine |
| IUPAC Name | n.a. |
| Canonical SMILES | CN1CCc2c3C1Cc1ccccc1c3c1c(c2)OCO1 |
| Standard InCHI | InChI=1S/C18H17NO2/c1-19-7-6-12-9-15-18(21-10-20-15)17-13-5-3-2-4-11(13)8-14(19)16(12)17/h2-5,9,14H,6-8,10H2,1H3 |
| Standard InCHIKey | JCTYWRARKVGOBK-UHFFFAOYSA-N |
| External Identifiers | ChEMBL [CHEMBL36654]; PubChem [235224]; |
| Reference of Component-Ingredient Pair | N/A |
Occurrence of the ingredient across TCM components
| Component ID | Latin Name | Pinyin Name | Chinese Name |
|---|---|---|---|
| TCMH1275 | Nelumbo nucifera | Lian Zi | 莲子 |
| TCMH1276 | Nelumbo nucifera | Lian Zi Xin | 莲子心 |
| TCMH1598 | Nelumbo nucifera | Ou | 藕 |
| TCMH1599 | Nelumbo nucifera | Ou Fen | 藕粉 |
| TCMH1601 | Nelumbo nucifera | Ou Pian | 藕片 |
| TCMH814 | Nelumbo nucifera | He Geng | 荷梗 |
| TCMH825 | Nelumbo nucifera | He Ye | 荷叶 |
Showing 1 to 7 of 7 entries
Ingredient ID: TCMC2007
Formula: C22H32O2
Ingredient ID: TCMC2007
| Common Name | Retinyl Acetate |
| IUPAC Name | [(2E,4E,6E,8E)-3,7-dimethyl-9-(2,6,6-trimethylcyclohexen-1-yl)nona-2,4,6,8-tetraenyl] acetate |
| Canonical SMILES | CC(=O)OC/C=C(/C=C/C=C(/C=C/C1=C(C)CCCC1(C)C)C)C |
| Standard InCHI | InChI=1S/C22H32O2/c1-17(9-7-10-18(2)14-16-24-20(4)23)12-13-21-19(3)11-8-15-22(21,5)6/h7,9-10,12-14H,8,11,15-16H2,1-6H3/b10-7+,13-12+,17-9+,18-14+ |
| Standard InCHIKey | QGNJRVVDBSJHIZ-QHLGVNSISA-N |
| External Identifiers | ChEMBL [CHEMBL486193]; PubChem [638034]; |
| Reference of Component-Ingredient Pair | N/A |
Occurrence of the ingredient across TCM components
| Component ID | Latin Name | Pinyin Name | Chinese Name |
|---|---|---|---|
| TCMH1275 | Nelumbo nucifera | Lian Zi | 莲子 |
| TCMH1276 | Nelumbo nucifera | Lian Zi Xin | 莲子心 |
| TCMH1598 | Nelumbo nucifera | Ou | 藕 |
| TCMH1599 | Nelumbo nucifera | Ou Fen | 藕粉 |
| TCMH1601 | Nelumbo nucifera | Ou Pian | 藕片 |
| TCMH814 | Nelumbo nucifera | He Geng | 荷梗 |
| TCMH825 | Nelumbo nucifera | He Ye | 荷叶 |
Showing 1 to 7 of 7 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: TCMC1956
Formula: C7H6O4
Ingredient ID: TCMC1956
| Common Name | Protocatechuic Acid |
| IUPAC Name | 3,4-dihydroxybenzoic acid |
| Canonical SMILES | OC(=O)c1ccc(c(c1)O)O |
| Standard InCHI | InChI=1S/C7H6O4/c8-5-2-1-4(7(10)11)3-6(5)9/h1-3,8-9H,(H,10,11) |
| Standard InCHIKey | YQUVCSBJEUQKSH-UHFFFAOYSA-N |
| External Identifiers | ChEMBL [CHEMBL37537]; PubChem [72]; |
| Reference of Component-Ingredient Pair | 24685503 |
Occurrence of the ingredient across TCM components
| Component ID | Latin Name | Pinyin Name | Chinese Name |
|---|---|---|---|
| TCMH10 | Blumea balsamifera | Ai Pian | 艾片 |
| 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 |
| TCMH108 | Perilla frutescens | Bai Su Zi | 白苏子 |
| TCMH11 | Blumea balsamifera | Ai Tan | 艾炭 |
| TCMH1105 | Trollius chinensis | Jin Lian Hua | 金莲花 |
| TCMH1117 | Rhizoma fagopyri cymosi | Jin Qiao Mai | 金荞麦 |
Showing 1 to 10 of 194 entries
Ingredient ID: TCMC1839
Formula: C7H6O3
Ingredient ID: TCMC1839
| Common Name | Paraben |
| IUPAC Name | 4-oxoniobenzoate |
| Canonical SMILES | Oc1ccc(cc1)C(=O)O |
| Standard InCHI | InChI=1S/C7H6O3/c8-6-3-1-5(2-4-6)7(9)10/h1-4,8H,(H,9,10) |
| Standard InCHIKey | FJKROLUGYXJWQN-UHFFFAOYSA-N |
| External Identifiers | ChEMBL [CHEMBL441343]; PubChem [3702506]; |
| Reference of Component-Ingredient Pair | 8087979 |
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 |
| TCMH108 | Perilla frutescens | Bai Su Zi | 白苏子 |
| TCMH1105 | Trollius chinensis | Jin Lian Hua | 金莲花 |
| TCMH1146 | Oryza sativa | Jing Mi | 粳米 |
| TCMH1178 | Citrus reticulata | Ju He | 橘核 |
| TCMH1184 | Citrus reticulata | Ju Pi | 橘皮 |
| TCMH1211 | Melia azedarach | Ku Lian Pi | 苦楝皮 |
| TCMH1212 | Melia azedarach | Ku Lian Zi | 苦楝子 |
Showing 1 to 10 of 162 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: 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: TCMC1788
Formula: C18H34O2
Ingredient ID: TCMC1788
| Common Name | Oleic Acid |
| IUPAC Name | (Z)-octadec-9-enoic acid |
| Canonical SMILES | CCCCCCCC/C=CCCCCCCCC(=O)O |
| Standard InCHI | InChI=1S/C18H34O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20/h9-10H,2-8,11-17H2,1H3,(H,19,20)/b10-9- |
| Standard InCHIKey | ZQPPMHVWECSIRJ-KTKRTIGZSA-N |
| External Identifiers | ChEMBL [CHEMBL8659]; PubChem [445639]; |
| 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 |
| 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 |
| TCMH1111 | Polygala glomerata | Jin Niu Cao | 金牛草 |
| TCMH1118 | Lygodium japonicum | Jin Sha Teng | 金沙藤 |
Showing 1 to 10 of 166 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: TCMC1755
Formula: C13H8O6
Ingredient ID: TCMC1755
| Common Name | Norathyriol |
| IUPAC Name | 1,3,6,7-tetrahydroxyxanthen-9-one |
| Canonical SMILES | Oc1cc(O)c2c(c1)oc1c(c2=O)cc(c(c1)O)O |
| Standard InCHI | InChI=1S/C13H8O6/c14-5-1-9(17)12-11(2-5)19-10-4-8(16)7(15)3-6(10)13(12)18/h1-4,14-17H |
| Standard InCHIKey | ZHTQCPCDXKMMLU-UHFFFAOYSA-N |
| External Identifiers | ChEMBL [CHEMBL187265]; PubChem [5281656]; |
| Reference of Component-Ingredient Pair | N/A |
Occurrence of the ingredient across TCM components
| Component ID | Latin Name | Pinyin Name | Chinese Name |
|---|---|---|---|
| TCMH1206 | Cratoxylum prunifolium | Ku Ding Cha | 苦丁茶 |
| TCMH1275 | Nelumbo nucifera | Lian Zi | 莲子 |
| TCMH1276 | Nelumbo nucifera | Lian Zi Xin | 莲子心 |
| TCMH1448 | Mangifera indica | Mang Guo Ye | 芒果叶 |
| TCMH1598 | Nelumbo nucifera | Ou | 藕 |
| TCMH1599 | Nelumbo nucifera | Ou Fen | 藕粉 |
| TCMH1601 | Nelumbo nucifera | Ou Pian | 藕片 |
| TCMH1953 | Pyrrosia lingua | Shi Wei | 石韦 |
| TCMH2079 | Garcinia morella | Teng Huang | 藤黄 |
| TCMH2289 | Urena lobata | Xiao Fan Tian Hua | 肖梵天花 |
Showing 1 to 10 of 16 entries
Ingredient ID: TCMC1737
Formula: C10H18O
Ingredient ID: TCMC1737
| Common Name | Nerol |
| IUPAC Name | (2Z)-3,7-dimethylocta-2,6-dien-1-ol |
| Canonical SMILES | OC/C=C(CCC=C(C)C)/C |
| Standard InCHI | InChI=1S/C10H18O/c1-9(2)5-4-6-10(3)7-8-11/h5,7,11H,4,6,8H2,1-3H3/b10-7- |
| Standard InCHIKey | GLZPCOQZEFWAFX-YFHOEESVSA-N |
| External Identifiers | ChEMBL [CHEMBL452683]; PubChem [643820]; |
| Reference of Component-Ingredient Pair | 11731906 |
Occurrence of the ingredient across TCM components
| Component ID | Latin Name | Pinyin Name | Chinese Name |
|---|---|---|---|
| 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 |
| 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 |
| TCMH1215 | Sophora flavescens | Ku Shen | 苦参 |
| TCMH1247 | Geranium wilfordii | Lao Guan Cao | 老鹳草 |
| TCMH1275 | Nelumbo nucifera | Lian Zi | 莲子 |
Showing 1 to 10 of 85 entries
Ingredient ID: TCMC1733
Formula: C28H32O16
Ingredient ID: TCMC1733
| Common Name | Narcissin |
| IUPAC Name | 5,7-dihydroxy-2-(4-hydroxy-3-methoxyphenyl)-3-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-[[(2R,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxymethyl]oxan-2-yl]oxychromen-4-one |
| Canonical SMILES | COc1cc(ccc1O)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/C28H32O16/c1-9-18(32)21(35)23(37)27(41-9)40-8-16-19(33)22(36)24(38)28(43-16)44-26-20(34)17-13(31)6-11(29)7-15(17)42-25(26)10-3-4-12(30)14(5-10)39-2/h3-7,9,16,18-19,21-24,27-33,35-38H,8H2,1-2H3/t9-,16+,18-,19+,21+,22-,23+,24+,27+,28-/m0/s1 |
| Standard InCHIKey | UIDGLYUNOUKLBM-GEBJFKNCSA-N |
| External Identifiers | ChEMBL [CHEMBL258394]; PubChem [5481663]; |
| Reference of Component-Ingredient Pair | 16261518 |
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 |
| TCMH1185 | Lycium chinense | Gou Qi | 枸杞 |
| TCMH1186 | Lycium chinense | Gou Qi Zi | 枸杞子 |
| TCMH1275 | Nelumbo nucifera | Lian Zi | 莲子 |
| TCMH1276 | Nelumbo nucifera | Lian Zi Xin | 莲子心 |
| TCMH1383 | Onobrychis viciifolia | Lv Dou | 绿豆 |
| TCMH1475 | Glycyrrhiza uralensis | Mi Gan Cao | 蜜甘草 |
| TCMH1598 | Nelumbo nucifera | Ou | 藕 |
| TCMH1599 | Nelumbo nucifera | Ou Fen | 藕粉 |
Showing 1 to 10 of 35 entries
Ingredient ID: TCMC1728
Formula: C10H8
Ingredient ID: TCMC1728
| Common Name | Naphthalene |
| IUPAC Name | naphthalene |
| Canonical SMILES | c1ccc2c(c1)cccc2 |
| Standard InCHI | InChI=1S/C10H8/c1-2-6-10-8-4-3-7-9(10)5-1/h1-8H |
| Standard InCHIKey | UFWIBTONFRDIAS-UHFFFAOYSA-N |
| External Identifiers | ChEMBL [CHEMBL16293]; PubChem [931]; |
| Reference of Component-Ingredient Pair | 28803881 |
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 |
| TCMH1185 | Lycium chinense | Gou Qi | 枸杞 |
| TCMH1186 | Lycium chinense | Gou Qi Zi | 枸杞子 |
| TCMH120 | Atractylodes macrocephala | Bai Zhu | 白术 |
| TCMH1275 | Nelumbo nucifera | Lian Zi | 莲子 |
| TCMH1276 | Nelumbo nucifera | Lian Zi Xin | 莲子心 |
| TCMH1598 | Nelumbo nucifera | Ou | 藕 |
| TCMH1599 | Nelumbo nucifera | Ou Fen | 藕粉 |
| TCMH1601 | Nelumbo nucifera | Ou Pian | 藕片 |
| TCMH1721 | Panax ginseng | Ren Shen | 人参 |
Showing 1 to 10 of 32 entries
Ingredient ID: TCMC1639
Formula: C18H17NO2
Ingredient ID: TCMC1639
| Common Name | n.a. |
| IUPAC Name | n.a. |
| Canonical SMILES | CN1CCc2c3[C@H]1Cc1ccccc1c3c1c(c2)OCO1 |
| Standard InCHI | InChI=1S/C18H17NO2/c1-19-7-6-12-9-15-18(21-10-20-15)17-13-5-3-2-4-11(13)8-14(19)16(12)17/h2-5,9,14H,6-8,10H2,1H3/t14-/m1/s1 |
| Standard InCHIKey | JCTYWRARKVGOBK-CQSZACIVSA-N |
| External Identifiers | ChEMBL [CHEMBL483825]; PubChem [119204]; |
| Reference of Component-Ingredient Pair | 7234425 |
Occurrence of the ingredient across TCM components
| Component ID | Latin Name | Pinyin Name | Chinese Name |
|---|---|---|---|
| TCMH1275 | Nelumbo nucifera | Lian Zi | 莲子 |
| TCMH1276 | Nelumbo nucifera | Lian Zi Xin | 莲子心 |
| TCMH1598 | Nelumbo nucifera | Ou | 藕 |
| TCMH1599 | Nelumbo nucifera | Ou Fen | 藕粉 |
| TCMH1601 | Nelumbo nucifera | Ou Pian | 藕片 |
| TCMH498 | Benincasa hispida | Dong Gua Pi | 冬瓜皮 |
| TCMH500 | Benincasa hispida | Dong Gua Zi | 冬瓜子 |
| TCMH814 | Nelumbo nucifera | He Geng | 荷梗 |
| TCMH825 | Nelumbo nucifera | He Ye | 荷叶 |
Showing 1 to 9 of 9 entries
Ingredient ID: TCMC1611
Formula: C14H28O2
Ingredient ID: TCMC1611
| Common Name | Myristic Acid |
| IUPAC Name | tetradecanoic acid |
| Canonical SMILES | CCCCCCCCCCCCCC(=O)O |
| Standard InCHI | InChI=1S/C14H28O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14(15)16/h2-13H2,1H3,(H,15,16) |
| Standard InCHIKey | TUNFSRHWOTWDNC-UHFFFAOYSA-N |
| External Identifiers | ChEMBL [CHEMBL111077]; PubChem [11005]; |
| Reference of Component-Ingredient Pair | 29968805 |
Occurrence of the ingredient across TCM components
| Component ID | Latin Name | Pinyin Name | Chinese Name |
|---|---|---|---|
| TCMH1005 | Cannabis sativa | Huo Ma Ren | 火麻仁 |
| TCMH1029 | Paederia scandens | Ji Shi Teng | 鸡矢藤 |
| TCMH1063 | Curcuma longa | Jiang Huang | 姜黄 |
| TCMH1105 | Trollius chinensis | Jin Lian Hua | 金莲花 |
| 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 |
| TCMH1175 | Cornus officinalis | Jiu Yu Rou | 酒萸肉 |
| TCMH1178 | Citrus reticulata | Ju He | 橘核 |
Showing 1 to 10 of 123 entries
Ingredient ID: TCMC1609
Formula: C15H10O8
Ingredient ID: TCMC1609
| Common Name | Myricetin |
| IUPAC Name | 3,5,7-trihydroxy-2-(3,4,5-trihydroxyphenyl)chromen-4-one |
| Canonical SMILES | Oc1cc(O)c2c(c1)oc(c(c2=O)O)c1cc(O)c(c(c1)O)O |
| Standard InCHI | InChI=1S/C15H10O8/c16-6-3-7(17)11-10(4-6)23-15(14(22)13(11)21)5-1-8(18)12(20)9(19)2-5/h1-4,16-20,22H |
| Standard InCHIKey | IKMDFBPHZNJCSN-UHFFFAOYSA-N |
| External Identifiers | ChEMBL [CHEMBL164]; PubChem [5281672]; |
| Reference of Component-Ingredient Pair | 25349334 |
Occurrence of the ingredient across TCM components
| Component ID | Latin Name | Pinyin Name | Chinese Name |
|---|---|---|---|
| TCMH1121 | Cardiospermum halicacabum | Jin Si Ku Lian | 金丝苦楝 |
| TCMH114 | Platycladus orientalis | Bai Ye | 柏叶 |
| TCMH1181 | Chrysanthemum morifolium | Ju Hua | 菊花 |
| TCMH1275 | Nelumbo nucifera | Lian Zi | 莲子 |
| TCMH1276 | Nelumbo nucifera | Lian Zi Xin | 莲子心 |
| TCMH1296 | Ganoderma lucidum | Ling Zhi Jin Gao | 灵芝浸膏 |
| TCMH1299 | Ganoderma lucidum | Ling Zhi(1) | 灵芝 |
| TCMH1305 | Laggera alata | Liu Ling Ju | 六棱菊 |
| TCMH1322 | Solanum nigrum | Long Kui | 龙葵 |
| TCMH1348 | Liquidambar formosana | Lu Lu Tong | 路路通 |
Showing 1 to 10 of 62 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: TCMC1511
Formula: C17H18O4
Ingredient ID: TCMC1511
| Common Name | Loureirin A |
| IUPAC Name | 3-(2,4-dimethoxyphenyl)-1-(4-hydroxyphenyl)propan-1-one |
| Canonical SMILES | COc1cc(OC)ccc1CCC(=O)c1ccc(cc1)O |
| Standard InCHI | InChI=1S/C17H18O4/c1-20-15-9-5-13(17(11-15)21-2)6-10-16(19)12-3-7-14(18)8-4-12/h3-5,7-9,11,18H,6,10H2,1-2H3 |
| Standard InCHIKey | RSAIVLRELNGZEY-UHFFFAOYSA-N |
| External Identifiers | ChEMBL [CHEMBL253779]; PubChem [5319081]; |
| Reference of Component-Ingredient Pair | N/A |
Occurrence of the ingredient across TCM components
| Component ID | Latin Name | Pinyin Name | Chinese Name |
|---|---|---|---|
| TCMH1275 | Nelumbo nucifera | Lian Zi | 莲子 |
| TCMH1276 | Nelumbo nucifera | Lian Zi Xin | 莲子心 |
| TCMH1598 | Nelumbo nucifera | Ou | 藕 |
| TCMH1599 | Nelumbo nucifera | Ou Fen | 藕粉 |
| TCMH1601 | Nelumbo nucifera | Ou Pian | 藕片 |
| TCMH2356 | Daemonorops draco | Xue Xie | 血蝎 |
| TCMH814 | Nelumbo nucifera | He Geng | 荷梗 |
| TCMH825 | Nelumbo nucifera | He Ye | 荷叶 |
Showing 1 to 8 of 8 entries
Ingredient ID: TCMC1496
Formula: C18H30O2
Ingredient ID: TCMC1496
| Common Name | Linolenic Acid |
| IUPAC Name | (9Z,12Z,15Z)-octadeca-9,12,15-trienoic acid |
| Canonical SMILES | CC/C=CC/C=CC/C=CCCCCCCCC(=O)O |
| Standard InCHI | InChI=1S/C18H30O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20/h3-4,6-7,9-10H,2,5,8,11-17H2,1H3,(H,19,20)/b4-3-,7-6-,10-9- |
| Standard InCHIKey | DTOSIQBPPRVQHS-PDBXOOCHSA-N |
| External Identifiers | ChEMBL [CHEMBL8739]; PubChem [5280934]; |
| Reference of Component-Ingredient Pair | 29968805 |
Occurrence of the ingredient across TCM components
| Component ID | Latin Name | Pinyin Name | Chinese Name |
|---|---|---|---|
| TCMH1005 | Cannabis sativa | Huo Ma Ren | 火麻仁 |
| 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 |
| TCMH1142 | Schizonepetae spica | Jing Jie Sui | 荆芥穗 |
| 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 132 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: 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: TCMC1430
Formula: C21H20O11
Ingredient ID: TCMC1430
| Common Name | Kaempferol 3-O-D-Galactoside |
| IUPAC Name | 5,7-dihydroxy-2-(4-hydroxyphenyl)-3-[(3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxychromen-4-one |
| Canonical SMILES | OC[C@H]1OC(Oc2c(oc3c(c2=O)c(O)cc(c3)O)c2ccc(cc2)O)[C@@H]([C@H]([C@H]1O)O)O |
| Standard InCHI | InChI=1S/C21H20O11/c22-7-13-15(26)17(28)18(29)21(31-13)32-20-16(27)14-11(25)5-10(24)6-12(14)30-19(20)8-1-3-9(23)4-2-8/h1-6,13,15,17-18,21-26,28-29H,7H2/t13-,15+,17+,18-,21?/m1/s1 |
| Standard InCHIKey | JPUKWEQWGBDDQB-HBDJNLTOSA-N |
| External Identifiers | ChEMBL [CHEMBL2297279]; PubChem [5488283]; |
| Reference of Component-Ingredient Pair | N/A |
Occurrence of the ingredient across TCM components
| Component ID | Latin Name | Pinyin Name | Chinese Name |
|---|---|---|---|
| TCMH1275 | Nelumbo nucifera | Lian Zi | 莲子 |
| TCMH1276 | Nelumbo nucifera | Lian Zi Xin | 莲子心 |
| TCMH1367 | Apocynum venetum | Luo Bu Ma | 罗布麻 |
| TCMH1598 | Nelumbo nucifera | Ou | 藕 |
| TCMH1599 | Nelumbo nucifera | Ou Fen | 藕粉 |
| TCMH1601 | Nelumbo nucifera | Ou Pian | 藕片 |
| TCMH1792 | Morus alba | Sang Pi | 桑皮 |
| TCMH1797 | Morus alba | Sang Ye | 桑叶 |
| TCMH1798 | Morus alba | Sang Zhi | 桑枝 |
| TCMH2119 | Tetrapanax papyriferus | Tong Cao | 通草 |
Showing 1 to 10 of 16 entries
Ingredient ID: TCMC1429
Formula: C15H10O6
Ingredient ID: TCMC1429
| Common Name | Kaempferol |
| IUPAC Name | 3,5,7-trihydroxy-2-(4-hydroxyphenyl)chromen-4-one |
| Canonical SMILES | Oc1ccc(cc1)c1oc2cc(O)cc(c2c(=O)c1O)O |
| Standard InCHI | InChI=1S/C15H10O6/c16-8-3-1-7(2-4-8)15-14(20)13(19)12-10(18)5-9(17)6-11(12)21-15/h1-6,16-18,20H |
| Standard InCHIKey | IYRMWMYZSQPJKC-UHFFFAOYSA-N |
| External Identifiers | ChEMBL [CHEMBL150]; PubChem [5280863]; |
| Reference of Component-Ingredient Pair | 29162470 |
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 |
| TCMH103 | Thesium chinense | Bai Rui Cao | 百蕊草 |
| 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 |
| TCMH1127 | Lonicera japonica | Jin Yin Hua | 金银花 |
| TCMH1128 | Lonicera japonica | Jin Yin Hua Ti Qu Ye | 金银花提取液 |
Showing 1 to 10 of 188 entries
Ingredient ID: TCMC1418
Formula: C21H20O10
Ingredient ID: TCMC1418
| Common Name | Isovitexin |
| IUPAC Name | 5,7-dihydroxy-2-(4-hydroxyphenyl)-6-[(2S,3R,4R,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]chromen-4-one |
| Canonical SMILES | OC[C@H]1O[C@H]([C@@H]([C@H]([C@@H]1O)O)O)c1c(O)cc2c(c1O)c(=O)cc(o2)c1ccc(cc1)O |
| Standard InCHI | InChI=1S/C21H20O10/c22-7-14-17(26)19(28)20(29)21(31-14)16-11(25)6-13-15(18(16)27)10(24)5-12(30-13)8-1-3-9(23)4-2-8/h1-6,14,17,19-23,25-29H,7H2/t14-,17-,19+,20-,21+/m1/s1 |
| Standard InCHIKey | MYXNWGACZJSMBT-VJXVFPJBSA-N |
| External Identifiers | ChEMBL [CHEMBL465360]; PubChem [162350]; |
| Reference of Component-Ingredient Pair | 22475010 |
Occurrence of the ingredient across TCM components
| Component ID | Latin Name | Pinyin Name | Chinese Name |
|---|---|---|---|
| TCMH1039 | Kummerowia striata | Ji Yan Cao | 鸡眼草 |
| TCMH1275 | Nelumbo nucifera | Lian Zi | 莲子 |
| TCMH1276 | Nelumbo nucifera | Lian Zi Xin | 莲子心 |
| TCMH1452 | Gerbera piloselloides | Mao Da Ding Cao | 毛大丁草 |
| TCMH1461 | Rubus parvifolius | Mao Mei Gen | 茅莓根 |
| TCMH1598 | Nelumbo nucifera | Ou | 藕 |
| TCMH1599 | Nelumbo nucifera | Ou Fen | 藕粉 |
| TCMH1601 | Nelumbo nucifera | Ou Pian | 藕片 |
| TCMH1632 | Taraxacum mongolicum | Pu Gong Ying | 蒲公英 |
| TCMH1633 | Taraxacum mongolicum | Pu Gong Ying Jin Gao | 蒲公英浸膏 |
Showing 1 to 10 of 44 entries
Ingredient ID: TCMC1411
Formula: C16H12O7
Ingredient ID: TCMC1411
| Common Name | Isorhamnetin |
| IUPAC Name | 3,5,7-trihydroxy-2-(4-hydroxy-3-methoxyphenyl)chromen-4-one |
| Canonical SMILES | COc1cc(ccc1O)c1oc2cc(O)cc(c2c(=O)c1O)O |
| Standard InCHI | InChI=1S/C16H12O7/c1-22-11-4-7(2-3-9(11)18)16-15(21)14(20)13-10(19)5-8(17)6-12(13)23-16/h2-6,17-19,21H,1H3 |
| Standard InCHIKey | IZQSVPBOUDKVDZ-UHFFFAOYSA-N |
| External Identifiers | ChEMBL [CHEMBL379064]; PubChem [5281654]; |
| Reference of Component-Ingredient Pair | 23046518 |
Occurrence of the ingredient across TCM components
| Component ID | Latin Name | Pinyin Name | Chinese Name |
|---|---|---|---|
| TCMH1000 | Foeniculum vulgare | Hui Xiang | 茴香 |
| TCMH1022 | Celosia cristata | Ji Guan Hua | 鸡冠花 |
| 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 |
| TCMH1133 | Rosa laevigata | Jin Ying Zi | 金樱子 |
| TCMH1134 | Rosa laevigata | Jin Ying Zi Rou | 金樱子肉 |
| TCMH1135 | Rosa laevigata | Jin Ying Zi Ti Qu Ye | 金樱子提取液 |
| TCMH1272 | Forsythia suspensa | Lian Qiao | 连翘 |
| TCMH1275 | Nelumbo nucifera | Lian Zi | 莲子 |
Showing 1 to 10 of 62 entries
Ingredient ID: TCMC1409
Formula: C21H20O12
Ingredient ID: TCMC1409
| Common Name | Isoquercetin |
| IUPAC Name | 2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-3-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxychromen-4-one |
| Canonical SMILES | OC[C@H]1O[C@@H](Oc2c(oc3c(c2=O)c(O)cc(c3)O)c2ccc(c(c2)O)O)[C@@H]([C@H]([C@@H]1O)O)O |
| Standard InCHI | InChI=1S/C21H20O12/c22-6-13-15(27)17(29)18(30)21(32-13)33-20-16(28)14-11(26)4-8(23)5-12(14)31-19(20)7-1-2-9(24)10(25)3-7/h1-5,13,15,17-18,21-27,29-30H,6H2/t13-,15-,17+,18-,21+/m1/s1 |
| Standard InCHIKey | OVSQVDMCBVZWGM-QSOFNFLRSA-N |
| External Identifiers | ChEMBL [CHEMBL250450]; PubChem [5280804]; |
| Reference of Component-Ingredient Pair | 22667148 |
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 |
| TCMH1032 | Impatiens balsamina | Ji Xing Zi | 急性子 |
| 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 |
| TCMH1144 | Schizonepetae herba | Jing Jie Tan | 荆芥炭 |
| TCMH1175 | Cornus officinalis | Jiu Yu Rou | 酒萸肉 |
| TCMH1198 | Rostellularia procumbens | Jue Chuang | 爵床 |
| TCMH12 | Artemisia argyi | Ai Ye | 艾叶 |
Showing 1 to 10 of 161 entries
Ingredient ID: TCMC1403
Formula: C21H20O11
Ingredient ID: TCMC1403
| Common Name | Isoorientin |
| IUPAC Name | 2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-6-[(2S,3R,4R,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]chromen-4-one |
| Canonical SMILES | OC[C@H]1O[C@H]([C@@H]([C@H]([C@@H]1O)O)O)c1c(O)cc2c(c1O)c(=O)cc(o2)c1ccc(c(c1)O)O |
| Standard InCHI | InChI=1S/C21H20O11/c22-6-14-17(27)19(29)20(30)21(32-14)16-11(26)5-13-15(18(16)28)10(25)4-12(31-13)7-1-2-8(23)9(24)3-7/h1-5,14,17,19-24,26-30H,6H2/t14-,17-,19+,20-,21+/m1/s1 |
| Standard InCHIKey | ODBRNZZJSYPIDI-VJXVFPJBSA-N |
| External Identifiers | ChEMBL [CHEMBL239559]; PubChem [114776]; |
| Reference of Component-Ingredient Pair | 22475010 |
Occurrence of the ingredient across TCM components
| Component ID | Latin Name | Pinyin Name | Chinese Name |
|---|---|---|---|
| TCMH1275 | Nelumbo nucifera | Lian Zi | 莲子 |
| TCMH1276 | Nelumbo nucifera | Lian Zi Xin | 莲子心 |
| TCMH1537 | Baphicacanthus cusia | Nan Ban Lan Gen | 南板蓝根 |
| TCMH1538 | Baphicacanthus cusia | Nan Ban Lan Gen Jin Gao Fen | 南板蓝根浸膏粉 |
| TCMH1598 | Nelumbo nucifera | Ou | 藕 |
| TCMH1599 | Nelumbo nucifera | Ou Fen | 藕粉 |
| TCMH1601 | Nelumbo nucifera | Ou Pian | 藕片 |
| TCMH1673 | Gentiana macrophylla | Qin Jiao | 秦艽 |
| TCMH1674 | Gentiana straminea | Qin Jiao Hua | 秦艽花 |
| TCMH1738 | Ficus microcarpa | Rong Shu Xu | 榕树须 |
Showing 1 to 10 of 31 entries
Ingredient ID: TCMC1374
Formula: C6H12O6
Ingredient ID: TCMC1374
| Common Name | Inositol |
| IUPAC Name | n.a. |
| Canonical SMILES | O[C@@H]1[C@H](O)[C@H](O)[C@H]([C@@H]([C@H]1O)O)O |
| Standard InCHI | InChI=1S/C6H12O6/c7-1-2(8)4(10)6(12)5(11)3(1)9/h1-12H/t1-,2-,3-,4+,5-,6- |
| Standard InCHIKey | CDAISMWEOUEBRE-GPIVLXJGSA-N |
| External Identifiers | ChEMBL [CHEMBL1222251]; PubChem [N/A]; |
| Reference of Component-Ingredient Pair | N/A |
Occurrence of the ingredient across TCM components
| Component ID | Latin Name | Pinyin Name | Chinese Name |
|---|---|---|---|
| TCMH1033 | Centella asiatica | Ji Xue Cao | 积雪草 |
| TCMH1105 | Trollius chinensis | Jin Lian Hua | 金莲花 |
| TCMH1127 | Lonicera japonica | Jin Yin Hua | 金银花 |
| TCMH1128 | Lonicera japonica | Jin Yin Hua Ti Qu Ye | 金银花提取液 |
| TCMH12 | Artemisia argyi | Ai Ye | 艾叶 |
| 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 |
| TCMH1394 | Capparis masaikai | Ma Bing Lang | 马槟榔 |
| TCMH1484 | Apis cerana | Mi La | 蜜蜡 |
Showing 1 to 10 of 47 entries
Ingredient ID: TCMC1356
Formula: C21H20O12
Ingredient ID: TCMC1356
| Common Name | Hyperoside |
| IUPAC Name | 2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-3-[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxychromen-4-one |
| Canonical SMILES | OC[C@H]1O[C@@H](Oc2c(oc3c(c2=O)c(O)cc(c3)O)c2ccc(c(c2)O)O)[C@@H]([C@H]([C@H]1O)O)O |
| Standard InCHI | InChI=1S/C21H20O12/c22-6-13-15(27)17(29)18(30)21(32-13)33-20-16(28)14-11(26)4-8(23)5-12(14)31-19(20)7-1-2-9(24)10(25)3-7/h1-5,13,15,17-18,21-27,29-30H,6H2/t13-,15+,17+,18-,21+/m1/s1 |
| Standard InCHIKey | OVSQVDMCBVZWGM-DTGCRPNFSA-N |
| External Identifiers | ChEMBL [CHEMBL251254]; PubChem [5281643]; |
| Reference of Component-Ingredient Pair | 27019979 |
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 |
| 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 |
| TCMH1128 | Lonicera japonica | Jin Yin Hua Ti Qu Ye | 金银花提取液 |
| 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 |
Showing 1 to 10 of 102 entries
Ingredient ID: TCMC1248
Formula: C22H34O3
Ingredient ID: TCMC1248
| Common Name | Gingkolic Acid |
| IUPAC Name | 2-hydroxy-6-[(Z)-pentadec-8-enyl]benzoic acid |
| Canonical SMILES | CCCCCC/C=CCCCCCCCc1cccc(c1C(=O)O)O |
| Standard InCHI | InChI=1S/C22H34O3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-16-19-17-15-18-20(23)21(19)22(24)25/h7-8,15,17-18,23H,2-6,9-14,16H2,1H3,(H,24,25)/b8-7- |
| Standard InCHIKey | YXHVCZZLWZYHSA-FPLPWBNLSA-N |
| External Identifiers | ChEMBL [CHEMBL445177]; PubChem [5281858]; |
| Reference of Component-Ingredient Pair | 28088196 |
Occurrence of the ingredient across TCM components
| Component ID | Latin Name | Pinyin Name | Chinese Name |
|---|---|---|---|
| TCMH1275 | Nelumbo nucifera | Lian Zi | 莲子 |
| TCMH1276 | Nelumbo nucifera | Lian Zi Xin | 莲子心 |
| TCMH1598 | Nelumbo nucifera | Ou | 藕 |
| TCMH1599 | Nelumbo nucifera | Ou Fen | 藕粉 |
| TCMH1601 | Nelumbo nucifera | Ou Pian | 藕片 |
| TCMH2506 | Ginkgo biloba | Yin Xing Ye | 银杏叶 |
| TCMH60 | Ginkgo biloba | Bai Guo | 白果 |
| TCMH61 | Ginkgo biloba | Bai Guo Ren | 白果仁 |
| TCMH814 | Nelumbo nucifera | He Geng | 荷梗 |
| TCMH825 | Nelumbo nucifera | He Ye | 荷叶 |
Showing 1 to 10 of 11 entries
Ingredient ID: TCMC1238
Formula: C10H18O
Ingredient ID: TCMC1238
| Common Name | Geraniol |
| IUPAC Name | (2E)-3,7-dimethylocta-2,6-dien-1-ol |
| Canonical SMILES | OC/C=C(/CCC=C(C)C)C |
| Standard InCHI | InChI=1S/C10H18O/c1-9(2)5-4-6-10(3)7-8-11/h5,7,11H,4,6,8H2,1-3H3/b10-7+ |
| Standard InCHIKey | GLZPCOQZEFWAFX-JXMROGBWSA-N |
| External Identifiers | ChEMBL [CHEMBL25719]; PubChem [637566]; |
| Reference of Component-Ingredient Pair | 29070885 |
Occurrence of the ingredient across TCM components
| Component ID | Latin Name | Pinyin Name | Chinese Name |
|---|---|---|---|
| TCMH1063 | Curcuma longa | Jiang Huang | 姜黄 |
| 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 |
| TCMH1178 | Citrus reticulata | Ju He | 橘核 |
| TCMH1179 | Citri exocarpium rubrum | Ju Hong | 橘红 |
| TCMH1184 | Citrus reticulata | Ju Pi | 橘皮 |
| TCMH12 | Artemisia argyi | Ai Ye | 艾叶 |
| TCMH1275 | Nelumbo nucifera | Lian Zi | 莲子 |
| TCMH1276 | Nelumbo nucifera | Lian Zi Xin | 莲子心 |
Showing 1 to 10 of 56 entries
Ingredient ID: TCMC1206
Formula: C21H20O11
Ingredient ID: TCMC1206
| Common Name | Galuteolin |
| IUPAC Name | 2-(3,4-dihydroxyphenyl)-5-hydroxy-7-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxychromen-4-one |
| Canonical SMILES | OC[C@H]1O[C@@H](Oc2cc(O)c3c(c2)oc(cc3=O)c2ccc(c(c2)O)O)[C@@H]([C@H]([C@@H]1O)O)O |
| Standard InCHI | InChI=1S/C21H20O11/c22-7-16-18(27)19(28)20(29)21(32-16)30-9-4-12(25)17-13(26)6-14(31-15(17)5-9)8-1-2-10(23)11(24)3-8/h1-6,16,18-25,27-29H,7H2/t16-,18-,19+,20-,21-/m1/s1 |
| Standard InCHIKey | PEFNSGRTCBGNAN-QNDFHXLGSA-N |
| External Identifiers | ChEMBL [CHEMBL233929]; PubChem [5280637]; |
| Reference of Component-Ingredient Pair | 22885972 |
Occurrence of the ingredient across TCM components
| Component ID | Latin Name | Pinyin Name | Chinese Name |
|---|---|---|---|
| TCMH108 | Perilla frutescens | Bai Su Zi | 白苏子 |
| TCMH1096 | Inula japonica | Jin Fei Cao | 金沸草 |
| TCMH1125 | Herba chrysosplenii | Jin Yao Cao | 金腰草 |
| TCMH1127 | Lonicera japonica | Jin Yin Hua | 金银花 |
| TCMH1128 | Lonicera japonica | Jin Yin Hua Ti Qu Ye | 金银花提取液 |
| TCMH1141 | Schizonepeta tenuifolia | Jing Jie | 荆芥 |
| TCMH1181 | Chrysanthemum morifolium | Ju Hua | 菊花 |
| 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 |
Showing 1 to 10 of 63 entries
Ingredient ID: TCMC1202
Formula: C7H6O5
Ingredient ID: TCMC1202
| Common Name | Gallic Acid |
| IUPAC Name | 3,4,5-trihydroxybenzoic acid |
| Canonical SMILES | OC(=O)c1cc(O)c(c(c1)O)O |
| Standard InCHI | InChI=1S/C7H6O5/c8-4-1-3(7(11)12)2-5(9)6(4)10/h1-2,8-10H,(H,11,12) |
| Standard InCHIKey | LNTHITQWFMADLM-UHFFFAOYSA-N |
| External Identifiers | ChEMBL [CHEMBL288114]; PubChem [370]; |
| Reference of Component-Ingredient Pair | 23800587 |
Occurrence of the ingredient across TCM components
| Component ID | Latin Name | Pinyin Name | Chinese Name |
|---|---|---|---|
| TCMH1025 | Loropetalum chinense | Ji Mu Ye Jin Gao | 继木叶浸膏 |
| 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 |
| TCMH1121 | Cardiospermum halicacabum | Jin Si Ku Lian | 金丝苦楝 |
| 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 |
| TCMH1135 | Rosa laevigata | Jin Ying Zi Ti Qu Ye | 金樱子提取液 |
Showing 1 to 10 of 168 entries
Ingredient ID: TCMC1173
Formula: C10H10O4
Ingredient ID: TCMC1173
| Common Name | Ferulic Acid |
| IUPAC Name | (E)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoic acid |
| Canonical SMILES | COc1cc(/C=C/C(=O)O)ccc1O |
| Standard InCHI | InChI=1S/C10H10O4/c1-14-9-6-7(2-4-8(9)11)3-5-10(12)13/h2-6,11H,1H3,(H,12,13)/b5-3+ |
| Standard InCHIKey | KSEBMYQBYZTDHS-HWKANZROSA-N |
| External Identifiers | ChEMBL [CHEMBL32749]; PubChem [445858]; |
| Reference of Component-Ingredient Pair | 25130191 |
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 |
| TCMH1024 | Tribulus terrestris | Ji Li | 蒺藜 |
| 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 |
| 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 |
| TCMH1146 | Oryza sativa | Jing Mi | 粳米 |
Showing 1 to 10 of 158 entries
Ingredient ID: TCMC1172
Formula: C15H26O
Ingredient ID: TCMC1172
| Common Name | Farnesol |
| IUPAC Name | (2E,6E)-3,7,11-trimethyldodeca-2,6,10-trien-1-ol |
| Canonical SMILES | OC/C=C(/CC/C=C(/CCC=C(C)C)C)C |
| Standard InCHI | InChI=1S/C15H26O/c1-13(2)7-5-8-14(3)9-6-10-15(4)11-12-16/h7,9,11,16H,5-6,8,10,12H2,1-4H3/b14-9+,15-11+ |
| Standard InCHIKey | CRDAMVZIKSXKFV-YFVJMOTDSA-N |
| External Identifiers | ChEMBL [CHEMBL25308]; PubChem [445070]; |
| Reference of Component-Ingredient Pair | 26853319 |
Occurrence of the ingredient across TCM components
| Component ID | Latin Name | Pinyin Name | Chinese Name |
|---|---|---|---|
| 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 |
| TCMH1236 | Chimonanthus fragrans | La Mei Hua | 腊梅花 |
| TCMH1275 | Nelumbo nucifera | Lian Zi | 莲子 |
| TCMH1276 | Nelumbo nucifera | Lian Zi Xin | 莲子心 |
| TCMH1598 | Nelumbo nucifera | Ou | 藕 |
| TCMH1599 | Nelumbo nucifera | Ou Fen | 藕粉 |
Showing 1 to 10 of 50 entries
Ingredient ID: TCMC1113
Formula: C22H18O10
Ingredient ID: TCMC1113
| Common Name | Epicatechin Gallate |
| IUPAC Name | [(2R,3R)-2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-3,4-dihydro-2H-chromen-3-yl] 3,4,5-trihydroxybenzoate |
| Canonical SMILES | Oc1cc(O)c2c(c1)O[C@@H]([C@@H](C2)OC(=O)c1cc(O)c(c(c1)O)O)c1ccc(c(c1)O)O |
| Standard InCHI | InChI=1S/C22H18O10/c23-11-6-14(25)12-8-19(32-22(30)10-4-16(27)20(29)17(28)5-10)21(31-18(12)7-11)9-1-2-13(24)15(26)3-9/h1-7,19,21,23-29H,8H2/t19-,21-/m1/s1 |
| Standard InCHIKey | LSHVYAFMTMFKBA-TZIWHRDSSA-N |
| External Identifiers | ChEMBL [CHEMBL36327]; PubChem [107905]; |
| Reference of Component-Ingredient Pair | 23132683 |
Occurrence of the ingredient across TCM components
| Component ID | Latin Name | Pinyin Name | Chinese Name |
|---|---|---|---|
| TCMH1275 | Nelumbo nucifera | Lian Zi | 莲子 |
| TCMH1276 | Nelumbo nucifera | Lian Zi Xin | 莲子心 |
| TCMH1446 | Vaccinium oxycoccos | Man Yue Mei | 蔓越莓 |
| TCMH1475 | Glycyrrhiza uralensis | Mi Gan Cao | 蜜甘草 |
| TCMH1518 | Chaenomeles sinensis | Mu Gua | 木瓜 |
| TCMH1598 | Nelumbo nucifera | Ou | 藕 |
| TCMH1599 | Nelumbo nucifera | Ou Fen | 藕粉 |
| TCMH1601 | Nelumbo nucifera | Ou Pian | 藕片 |
| TCMH1742 | Cinnamomum cassia | Rou Gui | 肉桂 |
| TCMH1746 | Cinnamomum cassia | Rou Gui Zi | 肉桂子 |
Showing 1 to 10 of 47 entries
Ingredient ID: TCMC1100
Formula: C20H40O2
Ingredient ID: TCMC1100
| Common Name | Elcosanoic Acid |
| IUPAC Name | icosanoic acid |
| Canonical SMILES | CCCCCCCCCCCCCCCCCCCC(=O)O |
| Standard InCHI | InChI=1S/C20H40O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20(21)22/h2-19H2,1H3,(H,21,22) |
| Standard InCHIKey | VKOBVWXKNCXXDE-UHFFFAOYSA-N |
| External Identifiers | ChEMBL [CHEMBL1173381]; PubChem [10467]; |
| Reference of Component-Ingredient Pair | 29968805 |
Occurrence of the ingredient across TCM components
| Component ID | Latin Name | Pinyin Name | Chinese Name |
|---|---|---|---|
| TCMH1005 | Cannabis sativa | Huo Ma Ren | 火麻仁 |
| 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 |
| TCMH1155 | Allium tuberosum | Jiu Cai | 韭菜 |
| TCMH1176 | Allium tuberosum | Jiu Zi | 韭子 |
| TCMH1178 | Citrus reticulata | Ju He | 橘核 |
| TCMH1184 | Citrus reticulata | Ju Pi | 橘皮 |
| TCMH1185 | Lycium chinense | Gou Qi | 枸杞 |
Showing 1 to 10 of 76 entries
Ingredient ID: TCMC1088
Formula: C11H12N2O2
Ingredient ID: TCMC1088
| Common Name | D-Tryptophan |
| IUPAC Name | (2R)-2-azaniumyl-3-(1H-indol-3-yl)propanoate |
| Canonical SMILES | OC(=O)[C@@H](Cc1c[nH]c2c1cccc2)N |
| Standard InCHI | InChI=1S/C11H12N2O2/c12-9(11(14)15)5-7-6-13-10-4-2-1-3-8(7)10/h1-4,6,9,13H,5,12H2,(H,14,15)/t9-/m1/s1 |
| Standard InCHIKey | QIVBCDIJIAJPQS-SECBINFHSA-N |
| External Identifiers | ChEMBL [CHEMBL292303]; PubChem [6923517]; |
| 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 |
| TCMH108 | Perilla frutescens | Bai Su Zi | 白苏子 |
| TCMH1090 | Brassica juncea | Jie Zi | 芥子 |
| TCMH1275 | Nelumbo nucifera | Lian Zi | 莲子 |
| TCMH1276 | Nelumbo nucifera | Lian Zi Xin | 莲子心 |
| TCMH130 | Pinellia ternata | Ban Xia | 半夏 |
| TCMH131 | Pinellia ternata | Ban Xia Qu | 半夏曲 |
| TCMH1598 | Nelumbo nucifera | Ou | 藕 |
Showing 1 to 10 of 23 entries
Ingredient ID: TCMC1064
Formula: C16H12O6
Ingredient ID: TCMC1064
| Common Name | Diosmetin |
| IUPAC Name | 5,7-dihydroxy-2-(3-hydroxy-4-methoxyphenyl)chromen-4-one |
| Canonical SMILES | COc1ccc(cc1O)c1cc(=O)c2c(o1)cc(cc2O)O |
| Standard InCHI | InChI=1S/C16H12O6/c1-21-13-3-2-8(4-10(13)18)14-7-12(20)16-11(19)5-9(17)6-15(16)22-14/h2-7,17-19H,1H3 |
| Standard InCHIKey | MBNGWHIJMBWFHU-UHFFFAOYSA-N |
| External Identifiers | ChEMBL [CHEMBL90568]; PubChem [5281612]; |
| Reference of Component-Ingredient Pair | 22860452 |
Occurrence of the ingredient across TCM components
| Component ID | Latin Name | Pinyin Name | Chinese Name |
|---|---|---|---|
| TCMH1141 | Schizonepeta tenuifolia | Jing Jie | 荆芥 |
| TCMH1144 | Schizonepetae herba | Jing Jie Tan | 荆芥炭 |
| TCMH122 | Lobelia chinensis | Ban Bian Lian | 半边莲 |
| TCMH1275 | Nelumbo nucifera | Lian Zi | 莲子 |
| TCMH1276 | Nelumbo nucifera | Lian Zi Xin | 莲子心 |
| TCMH1460 | Zanthoxylum nitidum | Mao Liang Mian Zhen | 毛两面针 |
| TCMH1503 | Eclipta prostrata | Mo Han Lian | 墨旱莲 |
| TCMH1598 | Nelumbo nucifera | Ou | 藕 |
| TCMH1599 | Nelumbo nucifera | Ou Fen | 藕粉 |
| TCMH1601 | Nelumbo nucifera | Ou Pian | 藕片 |
Showing 1 to 10 of 48 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
Properties
| Ingredient ID | Formulae | Name | MW | AlogP | MlogP | XlogP | # HBA | # HBD | PSA | # Rotatable Bond | # Ring | # Heacy Atom | Lipinski RO5 Violation |
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| TCMC1031 | C16H22O4 | Dibutyl Phthalate | 278.15 | -1.2084 | 2.78 | 5.034 | 4 | 0 | 52.6 | 12 | 1 | 20 | 1 |
| TCMC1064 | C16H12O6 | Diosmetin | 300.06 | -1.9363 | 2.56 | 1.123 | 1 | 3 | 96.22 | 6 | 3 | 22 | 0 |
| TCMC1088 | C11H12N2O2 | D-Tryptophan | 204.09 | -1.5048 | 2.23 | -0.96 | 4 | 3 | 79.11 | 5 | 2 | 15 | 0 |
| TCMC1100 | C20H40O2 | Elcosanoic Acid | 312.3 | -5.0497 | 3.44 | 9.846 | 2 | 1 | 37.3 | 20 | 0 | 22 | 2 |
| TCMC1113 | C22H18O10 | Epicatechin Gallate | 442.09 | -3.5057 | 2.78 | 1.228 | 2 | 7 | 177.14 | 11 | 4 | 32 | 1 |
| TCMC1172 | C15H26O | Farnesol | 222.2 | 3.5719 | 3 | 4.346 | 1 | 1 | 20.23 | 12 | 0 | 16 | 0 |
| TCMC1173 | C10H10O4 | Ferulic Acid | 194.06 | -0.3908 | 2.12 | 1.231 | 2 | 2 | 66.76 | 6 | 1 | 14 | 0 |
| TCMC1202 | C7H6O5 | Gallic Acid | 170.02 | -1.6207 | 1.68 | 0.002 | 2 | 4 | 97.99 | 5 | 1 | 12 | 0 |
| TCMC1206 | C21H20O11 | Galuteolin | 448.1 | -4.0917 | 2.56 | -0.075 | 6 | 7 | 186.37 | 11 | 4 | 32 | 1 |
| TCMC1238 | C10H18O | Geraniol | 154.14 | 2.3397 | 2.45 | 2.524 | 1 | 1 | 20.23 | 8 | 0 | 11 | 0 |
Showing 1 to 10 of 115 entries
Download Data
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