Description of the Component
Component ID |
TCMH2050 |
Latin Name |
Punica granatum |
English Name |
Pomegranate |
Chinese Pinyin Name |
Suan Shi Liu |
中文名 |
酸石榴 |
TCM Properties |
|
TCM Meridians |
|
Therapeutic Class English |
|
Therapeutic Class Chinese |
|
Functions |
|
Toxicity |
NA |
Geo-authentic habitats (道地产区) |
NA |
Reference |
CFDA |
Barcode ID |
ITSAJ1428-14 |
Barcode Source |
BOLDSYSTEMS |
Targeted Human Proteins by the Ingredient of Component
| Target ID | Gene Symbol | Target Name | Target Class | Uniprot ID |
|---|---|---|---|---|
| TCMT1 | EHMT2 | Histone-lysine N-methyltransferase, H3 lysine-9 specific 3 | Transferase | Q96KQ7 |
| TCMT100 | TTR | Transthyretin | Unclassified | P02766 |
| TCMT101 | PTPN1 | Protein-tyrosine phosphatase 1B | Hydrolase | P18031 |
| TCMT102 | ACP1 | Low molecular weight phosphotyrosine protein phosphatase | Hydrolase | P24666 |
| TCMT103 | PTPRF | Receptor-type tyrosine-protein phosphatase F (LAR) | Hydrolase | P10586 |
| TCMT11 | HIF1A | Hypoxia-inducible factor 1 alpha | Transcription factor | Q16665 |
| TCMT112 | ADORA3 | Adenosine A3 receptor | GPCR | P0DMS8 |
| TCMT125 | GBA | Beta-glucocerebrosidase | Hydrolase | P04062 |
| TCMT126 | TERT | Telomerase reverse transcriptase | Transferase | O14746 |
| TCMT127 | PARP1 | Poly [ADP-ribose] polymerase-1 | Transferase | P09874 |
Showing 1 to 10 of 192 entries
Targeted Pathogenic Microbes by the Ingredient of Component
| Target ID | Target Name |
|---|---|
| TCMT1090 | Human immunodeficiency virus type 1 integrase |
| TCMT1092 | Fatty acid synthase |
| TCMT1093 | Enoyl-acyl-carrier protein reductase |
| TCMT1094 | 3-oxoacyl-acyl-carrier protein reductase |
| TCMT1099 | Neuraminidase |
| TCMT1104 | Sortase |
| TCMT1107 | Protease |
| TCMT1108 | Integrase |
| TCMT1109 | Reverse transcriptase |
| TCMT1121 | Sialidase |
Showing 1 to 10 of 51 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: TCMC964
Formula: C15H10O6
Ingredient ID: TCMC964
| Common Name | Cyanidin |
| IUPAC Name | 2-(3,4-dihydroxyphenyl)chromenylium-3,5,7-triol |
| Canonical SMILES | Oc1cc(O)c2c(c1)[o+]c(c(c2)O)c1ccc(c(c1)O)O |
| Standard InCHI | InChI=1S/C15H10O6/c16-8-4-11(18)9-6-13(20)15(21-14(9)5-8)7-1-2-10(17)12(19)3-7/h1-6H,(H4-,16,17,18,19,20)/p+1 |
| Standard InCHIKey | VEVZSMAEJFVWIL-UHFFFAOYSA-O |
| External Identifiers | ChEMBL [CHEMBL404515]; PubChem [128861]; |
| 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 |
| TCMH1121 | Cardiospermum halicacabum | Jin Si Ku Lian | 金丝苦楝 |
| TCMH1943 | Punica granatum | Shi Liu | 石榴 |
| TCMH1944 | Punica granatum | Shi Liu Pi | 石榴皮 |
| TCMH1945 | Punica granatum | Shi Liu Zi | 石榴子 |
| TCMH2050 | Punica granatum | Suan Shi Liu | 酸石榴 |
| TCMH2213 | Ipomoea cairica | Wu Zhao Long | 五爪龙 |
Showing 1 to 10 of 14 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: TCMC941
Formula: C27H22O18
Ingredient ID: TCMC941
| Common Name | Corilagin |
| IUPAC Name | n.a. |
| Canonical SMILES | O[C@@H]1[C@H]2COC(=O)c3cc(O)c(c(c3c3c(C(=O)O[C@@H]1[C@H]([C@@H](O2)OC(=O)c1cc(O)c(c(c1)O)O)O)cc(O)c(c3O)O)O)O |
| Standard InCHI | InChI=1S/C27H22O18/c28-9-1-6(2-10(29)16(9)32)24(39)45-27-22(38)23-19(35)13(43-27)5-42-25(40)7-3-11(30)17(33)20(36)14(7)15-8(26(41)44-23)4-12(31)18(34)21(15)37/h1-4,13,19,22-23,27-38H,5H2/t13-,19-,22-,23+,27+/m1/s1 |
| Standard InCHIKey | TUSDEZXZIZRFGC-XIGLUPEJSA-N |
| External Identifiers | ChEMBL [CHEMBL449392]; PubChem [73568]; |
| Reference of Component-Ingredient Pair | N/A |
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 |
| TCMH1247 | Geranium wilfordii | Lao Guan Cao | 老鹳草 |
| TCMH1683 | Canarium album | Qing Guo | 青果 |
| TCMH1686 | Canarium album | Qing Guo Tan | 青果炭 |
| TCMH1943 | Punica granatum | Shi Liu | 石榴 |
| TCMH1944 | Punica granatum | Shi Liu Pi | 石榴皮 |
| TCMH1945 | Punica granatum | Shi Liu Zi | 石榴子 |
| TCMH2050 | Punica granatum | Suan Shi Liu | 酸石榴 |
| TCMH210 | Terminalia chebula | Cang Qing Guo | 藏青果 |
| TCMH2133 | Syneilesis palmata | Tu Er San | 兔儿伞 |
Showing 1 to 10 of 16 entries
Ingredient ID: TCMC923
Formula: C6H8O7
Ingredient ID: TCMC923
| Common Name | Citric Acid |
| IUPAC Name | 2-hydroxypropane-1,2,3-tricarboxylic acid |
| Canonical SMILES | OC(=O)C(CC(=O)O)(CC(=O)O)O |
| Standard InCHI | InChI=1S/C6H8O7/c7-3(8)1-6(13,5(11)12)2-4(9)10/h13H,1-2H2,(H,7,8)(H,9,10)(H,11,12) |
| Standard InCHIKey | KRKNYBCHXYNGOX-UHFFFAOYSA-N |
| External Identifiers | ChEMBL [CHEMBL1261]; PubChem [311]; |
| Reference of Component-Ingredient Pair | 27765674 |
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 |
| TCMH1121 | Cardiospermum halicacabum | Jin Si Ku Lian | 金丝苦楝 |
| TCMH1162 | Sarcandra glabra | Jiu Jie Cha | 九节茶 |
| TCMH1223 | Tussilago farfara | Kuan Dong Hua | 款冬花 |
| TCMH1446 | Vaccinium oxycoccos | Man Yue Mei | 蔓越莓 |
| TCMH1448 | Mangifera indica | Mang Guo Ye | 芒果叶 |
| TCMH1483 | Tussilago farfara | Mi Kuan Dong Hua | 蜜款冬花 |
| TCMH1489 | Papaver somniferum | Mi Ying Su Ke | 蜜罂粟壳 |
Showing 1 to 10 of 66 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: 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: TCMC857
Formula: C10H16O
Ingredient ID: TCMC857
| Common Name | Camphor |
| IUPAC Name | (1R,4R)-4,7,7-trimethylbicyclo[2.2.1]heptan-3-one |
| Canonical SMILES | O=C1C[C@@H]2C([C@@]1(C)CC2)(C)C |
| Standard InCHI | InChI=1S/C10H16O/c1-9(2)7-4-5-10(9,3)8(11)6-7/h7H,4-6H2,1-3H3/t7-,10+/m1/s1 |
| Standard InCHIKey | DSSYKIVIOFKYAU-XCBNKYQSSA-N |
| External Identifiers | ChEMBL [CHEMBL504760]; PubChem [159055]; |
| Reference of Component-Ingredient Pair | 21162008 |
Occurrence of the ingredient across TCM components
| Component ID | Latin Name | Pinyin Name | Chinese Name |
|---|---|---|---|
| TCMH1000 | Foeniculum vulgare | Hui Xiang | 茴香 |
| TCMH1005 | Cannabis sativa | Huo Ma Ren | 火麻仁 |
| TCMH1063 | Curcuma longa | Jiang Huang | 姜黄 |
| TCMH1117 | Rhizoma fagopyri cymosi | Jin Qiao Mai | 金荞麦 |
| TCMH1178 | Citrus reticulata | Ju He | 橘核 |
| TCMH1184 | Citrus reticulata | Ju Pi | 橘皮 |
| TCMH12 | Artemisia argyi | Ai Ye | 艾叶 |
| TCMH1272 | Forsythia suspensa | Lian Qiao | 连翘 |
| TCMH13 | Artemisia argyi | Ai Ye You | 艾叶油 |
| TCMH132 | Scutellaria barbata | Ban Zhi Lian | 半枝莲 |
Showing 1 to 10 of 54 entries
Ingredient ID: 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: 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: TCMC803
Formula: C30H50O2
Ingredient ID: TCMC803
| Common Name | Betulin |
| IUPAC Name | (1R,3aS,5aR,5bR,7aR,9S,11aR,11bR,13aR,13bR)-3a-(hydroxymethyl)-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]chrysen-9-ol |
| Canonical SMILES | OC[C@@]12CC[C@H]([C@@H]2[C@@H]2[C@](CC1)(C)[C@]1(C)CC[C@@H]3[C@]([C@H]1CC2)(C)CC[C@@H](C3(C)C)O)C(=C)C |
| Standard InCHI | InChI=1S/C30H50O2/c1-19(2)20-10-15-30(18-31)17-16-28(6)21(25(20)30)8-9-23-27(5)13-12-24(32)26(3,4)22(27)11-14-29(23,28)7/h20-25,31-32H,1,8-18H2,2-7H3/t20-,21+,22-,23+,24-,25+,27-,28+,29+,30+/m0/s1 |
| Standard InCHIKey | FVWJYYTZTCVBKE-ROUWMTJPSA-N |
| External Identifiers | ChEMBL [CHEMBL23236]; PubChem [72326]; |
| Reference of Component-Ingredient Pair | 22782538 |
Occurrence of the ingredient across TCM components
| Component ID | Latin Name | Pinyin Name | Chinese Name |
|---|---|---|---|
| TCMH1039 | Kummerowia striata | Ji Yan Cao | 鸡眼草 |
| TCMH1121 | Cardiospermum halicacabum | Jin Si Ku Lian | 金丝苦楝 |
| TCMH1417 | Pinus massoniana | Ma Wei Song Gen | 马尾松根 |
| TCMH1418 | Pinus massoniana | Ma Wei Song Shu Gen | 马尾松树根 |
| TCMH1452 | Gerbera piloselloides | Mao Da Ding Cao | 毛大丁草 |
| TCMH1584 | Achyranthes bidentata | Niu Teng | 牛藤 |
| TCMH1588 | Achyranthes bidentata | Niu Xi | 牛膝 |
| TCMH1597 | Ligustrum lucidum | Nv Zhen Zi | 女贞子 |
| TCMH1643 | Syzygium jambos | Pu Tao(1) | 蒲桃 |
| TCMH1735 | Kummerowia striata | Ren Zi Cao | 人字草 |
Showing 1 to 10 of 32 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: TCMC799
Formula: C22H22O8
Ingredient ID: TCMC799
| Common Name | Beta-Peltatin A |
| IUPAC Name | (5aR,8aR,9R)-4-hydroxy-9-(3,4,5-trimethoxyphenyl)-5a,6,8a,9-tetrahydro-5H-[2]benzofuro[5,6-f][1,3]benzodioxol-8-one |
| Canonical SMILES | COc1cc(cc(c1OC)OC)[C@H]1[C@H]2C(=O)OC[C@@H]2Cc2c1cc1OCOc1c2O |
| Standard InCHI | InChI=1S/C22H22O8/c1-25-14-5-10(6-15(26-2)20(14)27-3)17-12-7-16-21(30-9-29-16)19(23)13(12)4-11-8-28-22(24)18(11)17/h5-7,11,17-18,23H,4,8-9H2,1-3H3/t11-,17+,18-/m0/s1 |
| Standard InCHIKey | HLBPOYVRLSXWJJ-PDSMFRHLSA-N |
| External Identifiers | ChEMBL [CHEMBL97543]; PubChem [92122]; |
| Reference of Component-Ingredient Pair | N/A |
Occurrence of the ingredient across TCM components
Ingredient ID: TCMC731
Formula: C6H8O6
Ingredient ID: TCMC731
| Common Name | Ascorbate |
| IUPAC Name | (2R)-2-[(1S)-1,2-dihydroxyethyl]-3,4-dihydroxy-2H-furan-5-one |
| Canonical SMILES | OC[C@@H]([C@H]1OC(=O)C(=C1O)O)O |
| Standard InCHI | InChI=1S/C6H8O6/c7-1-2(8)5-3(9)4(10)6(11)12-5/h2,5,7-10H,1H2/t2-,5+/m0/s1 |
| Standard InCHIKey | CIWBSHSKHKDKBQ-JLAZNSOCSA-N |
| External Identifiers | ChEMBL [CHEMBL196]; PubChem [54670067]; |
| Reference of Component-Ingredient Pair | 27019979 |
Occurrence of the ingredient across TCM components
| Component ID | Latin Name | Pinyin Name | Chinese Name |
|---|---|---|---|
| TCMH1033 | Centella asiatica | Ji Xue Cao | 积雪草 |
| TCMH1185 | Lycium chinense | Gou Qi | 枸杞 |
| TCMH1186 | Lycium chinense | Gou Qi Zi | 枸杞子 |
| TCMH1343 | Aloe vera | Lu Hui | 芦荟 |
| TCMH1499 | Changium smyrnioides | Ming Dang Shen | 明党参 |
| TCMH1518 | Chaenomeles sinensis | Mu Gua | 木瓜 |
| TCMH1734 | Homo sapiens | Ren Zhong Bai | 人中白 |
| TCMH1792 | Morus alba | Sang Pi | 桑皮 |
| TCMH1797 | Morus alba | Sang Ye | 桑叶 |
| TCMH1798 | Morus alba | Sang Zhi | 桑枝 |
Showing 1 to 10 of 40 entries
Ingredient ID: TCMC69
Formula: C4H6O5
Ingredient ID: TCMC69
| Common Name | (2R)-2-Hydroxybutanedioic Acid |
| IUPAC Name | (2R)-2-hydroxybutanedioic acid |
| Canonical SMILES | OC(=O)C[C@H](C(=O)O)O |
| Standard InCHI | InChI=1S/C4H6O5/c5-2(4(8)9)1-3(6)7/h2,5H,1H2,(H,6,7)(H,8,9)/t2-/m1/s1 |
| Standard InCHIKey | BJEPYKJPYRNKOW-UWTATZPHSA-N |
| External Identifiers | ChEMBL [CHEMBL225986]; PubChem [92824]; |
| 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 |
| TCMH1175 | Cornus officinalis | Jiu Yu Rou | 酒萸肉 |
| TCMH1211 | Melia azedarach | Ku Lian Pi | 苦楝皮 |
| TCMH1212 | Melia azedarach | Ku Lian Zi | 苦楝子 |
| TCMH1223 | Tussilago farfara | Kuan Dong Hua | 款冬花 |
| TCMH1343 | Aloe vera | Lu Hui | 芦荟 |
| TCMH1483 | Tussilago farfara | Mi Kuan Dong Hua | 蜜款冬花 |
| TCMH1661 | Rhizoma homalomenae occultae | Qian Nian Jian | 千年健 |
Showing 1 to 10 of 36 entries
Ingredient ID: TCMC673
Formula: C29H50O2
Ingredient ID: TCMC673
| Common Name | Alpha-Tochopherol |
| IUPAC Name | 2,5,7,8-tetramethyl-2-(4,8,12-trimethyltridecyl)-3,4-dihydrochromen-6-ol |
| Canonical SMILES | CC(CCCC1(C)CCc2c(O1)c(C)c(c(c2C)O)C)CCCC(CCCC(C)C)C |
| Standard InCHI | InChI=1S/C29H50O2/c1-20(2)12-9-13-21(3)14-10-15-22(4)16-11-18-29(8)19-17-26-25(7)27(30)23(5)24(6)28(26)31-29/h20-22,30H,9-19H2,1-8H3 |
| Standard InCHIKey | GVJHHUAWPYXKBD-UHFFFAOYSA-N |
| External Identifiers | ChEMBL [CHEMBL49563]; PubChem [2116]; |
| Reference of Component-Ingredient Pair | 21736730 |
Occurrence of the ingredient across TCM components
| Component ID | Latin Name | Pinyin Name | Chinese Name |
|---|---|---|---|
| TCMH108 | Perilla frutescens | Bai Su Zi | 白苏子 |
| TCMH1090 | Brassica juncea | Jie Zi | 芥子 |
| TCMH1239 | Raphanus sativus | Lai Fu | 莱菔 |
| TCMH1240 | Raphanus sativus | Lai Fu Zi | 莱菔子 |
| TCMH1499 | Changium smyrnioides | Ming Dang Shen | 明党参 |
| TCMH1632 | Taraxacum mongolicum | Pu Gong Ying | 蒲公英 |
| TCMH1633 | Taraxacum mongolicum | Pu Gong Ying Jin Gao | 蒲公英浸膏 |
| TCMH1708 | Polygonum bistorta | Quan Shen | 拳参 |
| TCMH1903 | Zingiber officinale | Sheng Jiang | 生姜 |
| TCMH1943 | Punica granatum | Shi Liu | 石榴 |
Showing 1 to 10 of 35 entries
Ingredient ID: TCMC671
Formula: C10H16
Ingredient ID: TCMC671
| Common Name | Alpha-Pinene |
| IUPAC Name | 4,6,6-trimethylbicyclo[3.1.1]hept-3-ene |
| Canonical SMILES | CC1=CCC2CC1C2(C)C |
| Standard InCHI | InChI=1S/C10H16/c1-7-4-5-8-6-9(7)10(8,2)3/h4,8-9H,5-6H2,1-3H3 |
| Standard InCHIKey | GRWFGVWFFZKLTI-UHFFFAOYSA-N |
| External Identifiers | ChEMBL [CHEMBL442565]; PubChem [6654]; |
| Reference of Component-Ingredient Pair | 29191726 |
Occurrence of the ingredient across TCM components
| Component ID | Latin Name | Pinyin Name | Chinese Name |
|---|---|---|---|
| TCMH1000 | Foeniculum vulgare | Hui Xiang | 茴香 |
| TCMH1063 | Curcuma longa | Jiang Huang | 姜黄 |
| TCMH1165 | Murraya paniculata | Jiu Li Xiang | 九里香 |
| TCMH1178 | Citrus reticulata | Ju He | 橘核 |
| TCMH1184 | Citrus reticulata | Ju Pi | 橘皮 |
| TCMH12 | Artemisia argyi | Ai Ye | 艾叶 |
| TCMH122 | Lobelia chinensis | Ban Bian Lian | 半边莲 |
| TCMH1225 | Valeriana officinalis | Kuan Ye Xie Cao | 宽叶缬草 |
| TCMH1272 | Forsythia suspensa | Lian Qiao | 连翘 |
| TCMH13 | Artemisia argyi | Ai Ye You | 艾叶油 |
Showing 1 to 10 of 101 entries
Ingredient ID: TCMC650
Formula: C6H14O6
Ingredient ID: TCMC650
| Common Name | Alexitol Sodium |
| IUPAC Name | hexane-1,2,3,4,5,6-hexol |
| Canonical SMILES | OCC(C(C(C(CO)O)O)O)O |
| Standard InCHI | InChI=1S/C6H14O6/c7-1-3(9)5(11)6(12)4(10)2-8/h3-12H,1-2H2 |
| Standard InCHIKey | FBPFZTCFMRRESA-UHFFFAOYSA-N |
| External Identifiers | ChEMBL [CHEMBL16105]; PubChem [453]; |
| Reference of Component-Ingredient Pair | 22841888 |
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 |
| TCMH1197 | Selaginella tamariscina | Juan Bai | 卷柏 |
| TCMH1226 | Laminaria japonica | Kun Bu | 昆布 |
| TCMH1285 | Orobanche coerulescens | Lie Dang | 列当 |
| TCMH1597 | Ligustrum lucidum | Nv Zhen Zi | 女贞子 |
| TCMH1615 | Eriobotrya japonica | Pi Ba Ren | 枇杷仁 |
| TCMH1943 | Punica granatum | Shi Liu | 石榴 |
| TCMH1944 | Punica granatum | Shi Liu Pi | 石榴皮 |
| TCMH1945 | Punica granatum | Shi Liu Zi | 石榴子 |
Showing 1 to 10 of 24 entries
Ingredient ID: TCMC51
Formula: C9H15NO
Ingredient ID: TCMC51
| Common Name | (1S,5R)-9-Methyl-9-Azabicyclo[3.3.1]Nonan-3-One |
| IUPAC Name | (1S,5R)-9-methyl-9-azabicyclo[3.3.1]nonan-3-one |
| Canonical SMILES | O=C1C[C@@H]2CCC[C@H](C1)N2C |
| Standard InCHI | InChI=1S/C9H15NO/c1-10-7-3-2-4-8(10)6-9(11)5-7/h7-8H,2-6H2,1H3/t7-,8+ |
| Standard InCHIKey | RHWSKVCZXBAWLZ-OCAPTIKFSA-N |
| External Identifiers | ChEMBL [CHEMBL1329064]; PubChem [6602484]; |
| Reference of Component-Ingredient Pair | N/A |
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 |
| TCMH1489 | Papaver somniferum | Mi Ying Su Ke | 蜜罂粟壳 |
| TCMH1943 | Punica granatum | Shi Liu | 石榴 |
| TCMH1944 | Punica granatum | Shi Liu Pi | 石榴皮 |
| TCMH1945 | Punica granatum | Shi Liu Zi | 石榴子 |
| TCMH2050 | Punica granatum | Suan Shi Liu | 酸石榴 |
| TCMH2514 | Papaver somniferum | Ying Su | 罂粟 |
| TCMH2515 | Papaver somniferum | Ying Su Ke | 罂粟壳 |
Showing 1 to 8 of 8 entries
Ingredient ID: TCMC473
Formula: C10H16O
Ingredient ID: TCMC473
| Common Name | 4,7,7-Trimethylbicyclo[2.2.1]Heptan-3-One |
| IUPAC Name | 4,7,7-trimethylbicyclo[2.2.1]heptan-3-one |
| Canonical SMILES | O=C1CC2C(C1(C)CC2)(C)C |
| Standard InCHI | InChI=1S/C10H16O/c1-9(2)7-4-5-10(9,3)8(11)6-7/h7H,4-6H2,1-3H3 |
| Standard InCHIKey | DSSYKIVIOFKYAU-UHFFFAOYSA-N |
| External Identifiers | ChEMBL [CHEMBL15768]; PubChem [2537]; |
| Reference of Component-Ingredient Pair | 25636489 |
Occurrence of the ingredient across TCM components
| Component ID | Latin Name | Pinyin Name | Chinese Name |
|---|---|---|---|
| TCMH1000 | Foeniculum vulgare | Hui Xiang | 茴香 |
| TCMH1063 | Curcuma longa | Jiang Huang | 姜黄 |
| TCMH1178 | Citrus reticulata | Ju He | 橘核 |
| TCMH1184 | Citrus reticulata | Ju Pi | 橘皮 |
| TCMH12 | Artemisia argyi | Ai Ye | 艾叶 |
| TCMH1272 | Forsythia suspensa | Lian Qiao | 连翘 |
| TCMH13 | Artemisia argyi | Ai Ye You | 艾叶油 |
| TCMH132 | Scutellaria barbata | Ban Zhi Lian | 半枝莲 |
| TCMH1343 | Aloe vera | Lu Hui | 芦荟 |
| TCMH1393 | Verbena officinalis | Ma Bian Cao | 马鞭草 |
Showing 1 to 10 of 54 entries
Ingredient ID: TCMC451
Formula: C13H8O3
Ingredient ID: TCMC451
| Common Name | 3-Hydroxybenzo[C]Chromen-6-One |
| IUPAC Name | 3-hydroxybenzo[c]chromen-6-one |
| Canonical SMILES | Oc1ccc2c(c1)oc(=O)c1c2cccc1 |
| Standard InCHI | InChI=1S/C13H8O3/c14-8-5-6-10-9-3-1-2-4-11(9)13(15)16-12(10)7-8/h1-7,14H |
| Standard InCHIKey | WXUQMTRHPNOXBV-UHFFFAOYSA-N |
| External Identifiers | ChEMBL [CHEMBL1526978]; PubChem [5380406]; |
| Reference of Component-Ingredient Pair | N/A |
Occurrence of the ingredient across TCM components
Ingredient ID: TCMC39
Formula: C18H22O2
Ingredient ID: TCMC39
| Common Name | (13S)-3-Hydroxy-13-Methyl-7,8,9,11,12,14,15,16-Octahydro-6H-Cyclopenta[A]Phenanthren-17-One |
| IUPAC Name | (13S)-3-hydroxy-13-methyl-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-17-one |
| Canonical SMILES | Oc1ccc2c(c1)CCC1C2CC[C@]2(C1CCC2=O)C |
| Standard InCHI | InChI=1S/C18H22O2/c1-18-9-8-14-13-5-3-12(19)10-11(13)2-4-15(14)16(18)6-7-17(18)20/h3,5,10,14-16,19H,2,4,6-9H2,1H3/t14?,15?,16?,18-/m0/s1 |
| Standard InCHIKey | DNXHEGUUPJUMQT-GUZDXLFXSA-N |
| External Identifiers | ChEMBL [CHEMBL32152]; PubChem [6710658]; |
| Reference of Component-Ingredient Pair | N/A |
Occurrence of the ingredient across TCM components
| Component ID | Latin Name | Pinyin Name | Chinese Name |
|---|---|---|---|
| TCMH1734 | Homo sapiens | Ren Zhong Bai | 人中白 |
| TCMH1943 | Punica granatum | Shi Liu | 石榴 |
| TCMH1944 | Punica granatum | Shi Liu Pi | 石榴皮 |
| TCMH1945 | Punica granatum | Shi Liu Zi | 石榴子 |
| TCMH2050 | Punica granatum | Suan Shi Liu | 酸石榴 |
| TCMH2057 | Human placenta | Tai Pan Fen | 胎盘粉 |
| TCMH2058 | Human placenta | Tai Pan Zu Zhi Fen | 胎盘组织粉 |
| TCMH2710 | Homo sapiens | Zi He Che | 紫河车 |
Showing 1 to 8 of 8 entries
Ingredient ID: TCMC352
Formula: C30H48O4
Ingredient ID: TCMC352
| Common Name | 24-Hydroxyursolic Acid |
| IUPAC Name | (1S,2R,4aS,6aR,6aS,6bR,8aR,9S,10S,12aR,14bS)-10-hydroxy-9-(hydroxymethyl)-1,2,6a,6b,9,12a-hexamethyl-2,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydro-1H-picene-4a-carboxylic acid |
| Canonical SMILES | OC[C@@]1(C)[C@@H](O)CC[C@]2([C@H]1CC[C@@]1([C@@H]2CC=C2[C@@]1(C)CC[C@@]1([C@H]2[C@@H](C)[C@@H](CC1)C)C(=O)O)C)C |
| Standard InCHI | InChI=1S/C30H48O4/c1-18-9-14-30(25(33)34)16-15-28(5)20(24(30)19(18)2)7-8-22-26(3)12-11-23(32)27(4,17-31)21(26)10-13-29(22,28)6/h7,18-19,21-24,31-32H,8-17H2,1-6H3,(H,33,34)/t18-,19+,21-,22-,23+,24+,26+,27-,28-,29-,30+/m1/s1 |
| Standard InCHIKey | NZCULBURCGAPSF-OQCQIIONSA-N |
| External Identifiers | ChEMBL [CHEMBL522373]; PubChem [44568920]; |
| Reference of Component-Ingredient Pair | N/A |
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 |
| TCMH1927 | Diospyros kaki | Shi Di | 柿蒂 |
| TCMH1943 | Punica granatum | Shi Liu | 石榴 |
| TCMH1944 | Punica granatum | Shi Liu Pi | 石榴皮 |
| TCMH1945 | Punica granatum | Shi Liu Zi | 石榴子 |
| TCMH1958 | Diospyros kaki | Shi Ye | 柿叶 |
| TCMH2050 | Punica granatum | Suan Shi Liu | 酸石榴 |
| TCMH226 | Camellia sinensis | Cha Ye | 茶叶 |
| TCMH261 | Ericerus pela | Chong Bai La | 虫白蜡 |
| TCMH51 | Camellia sinensis | Bai Cha | 白茶 |
Showing 1 to 10 of 10 entries
Ingredient ID: TCMC304
Formula: C10H18O
Ingredient ID: TCMC304
| Common Name | 2-(4-Methylcyclohex-3-En-1-Yl)Propan-2-Ol |
| IUPAC Name | 2-(4-methylcyclohex-3-en-1-yl)propan-2-ol |
| Canonical SMILES | CC1=CCC(CC1)C(O)(C)C |
| Standard InCHI | InChI=1S/C10H18O/c1-8-4-6-9(7-5-8)10(2,3)11/h4,9,11H,5-7H2,1-3H3 |
| Standard InCHIKey | WUOACPNHFRMFPN-UHFFFAOYSA-N |
| External Identifiers | ChEMBL [CHEMBL449810]; PubChem [17100]; |
| Reference of Component-Ingredient Pair | 26795242 |
Occurrence of the ingredient across TCM components
| Component ID | Latin Name | Pinyin Name | Chinese Name |
|---|---|---|---|
| TCMH1063 | Curcuma longa | Jiang Huang | 姜黄 |
| TCMH1064 | Coptis chinensis | Jiang Huang Lian | 姜黄连 |
| TCMH108 | Perilla frutescens | Bai Su Zi | 白苏子 |
| TCMH1127 | Lonicera japonica | Jin Yin Hua | 金银花 |
| TCMH1128 | Lonicera japonica | Jin Yin Hua Ti Qu Ye | 金银花提取液 |
| TCMH1161 | Coptis chinensis | Jiu Huang Lian | 酒黄连 |
| TCMH1165 | Murraya paniculata | Jiu Li Xiang | 九里香 |
| TCMH1178 | Citrus reticulata | Ju He | 橘核 |
| TCMH1184 | Citrus reticulata | Ju Pi | 橘皮 |
| TCMH12 | Artemisia argyi | Ai Ye | 艾叶 |
Showing 1 to 10 of 129 entries
Ingredient ID: 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: TCMC29
Formula: C20H26O6
Ingredient ID: TCMC29
| Common Name | (+)-Secoisolariciresinol |
| IUPAC Name | (2R,3R)-2,3-bis[(4-hydroxy-3-methoxyphenyl)methyl]butane-1,4-diol |
| Canonical SMILES | OC[C@@H]([C@@H](Cc1ccc(c(c1)OC)O)CO)Cc1ccc(c(c1)OC)O |
| Standard InCHI | InChI=1S/C20H26O6/c1-25-19-9-13(3-5-17(19)23)7-15(11-21)16(12-22)8-14-4-6-18(24)20(10-14)26-2/h3-6,9-10,15-16,21-24H,7-8,11-12H2,1-2H3/t15-,16-/m0/s1 |
| Standard InCHIKey | PUETUDUXMCLALY-HOTGVXAUSA-N |
| External Identifiers | ChEMBL [CHEMBL368347]; PubChem [65373]; |
| Reference of Component-Ingredient Pair | 23770295 |
Occurrence of the ingredient across TCM components
| Component ID | Latin Name | Pinyin Name | Chinese Name |
|---|---|---|---|
| TCMH147 | Glehnia littoralis | Bei Sha Shen | 北沙参 |
| TCMH148 | Glehnia littoralis | Bei Sha Shen Liu Jin Gao | 北沙参流浸膏 |
| TCMH1943 | Punica granatum | Shi Liu | 石榴 |
| TCMH1944 | Punica granatum | Shi Liu Pi | 石榴皮 |
| TCMH1945 | Punica granatum | Shi Liu Zi | 石榴子 |
| TCMH2050 | Punica granatum | Suan Shi Liu | 酸石榴 |
| TCMH2086 | Trichosanthes kirilowii | Tian Hua Fen | 天花粉 |
| TCMH2367 | Linum usitatissimum | Ya Ma Zi | 亚麻子 |
| TCMH705 | Trichosanthes kirilowii | Gua Lou | 瓜蒌 |
| TCMH706 | Trichosanthes kirilowii | Gua Lou Pi | 瓜蒌皮 |
Showing 1 to 10 of 15 entries
Ingredient ID: TCMC284
Formula: C10H16
Ingredient ID: TCMC284
| Common Name | 1-Methyl-4-Prop-1-En-2-Ylcyclohexene |
| IUPAC Name | 1-methyl-4-prop-1-en-2-ylcyclohexene |
| Canonical SMILES | CC1=CCC(CC1)C(=C)C |
| Standard InCHI | InChI=1S/C10H16/c1-8(2)10-6-4-9(3)5-7-10/h4,10H,1,5-7H2,2-3H3 |
| Standard InCHIKey | XMGQYMWWDOXHJM-UHFFFAOYSA-N |
| External Identifiers | ChEMBL [CHEMBL15799]; PubChem [22311]; |
| Reference of Component-Ingredient Pair | 23449869 |
Occurrence of the ingredient across TCM components
| Component ID | Latin Name | Pinyin Name | Chinese Name |
|---|---|---|---|
| TCMH1000 | Foeniculum vulgare | Hui Xiang | 茴香 |
| TCMH1063 | Curcuma longa | Jiang Huang | 姜黄 |
| TCMH108 | Perilla frutescens | Bai Su Zi | 白苏子 |
| TCMH1141 | Schizonepeta tenuifolia | Jing Jie | 荆芥 |
| TCMH1165 | Murraya paniculata | Jiu Li Xiang | 九里香 |
| TCMH1178 | Citrus reticulata | Ju He | 橘核 |
| TCMH1184 | Citrus reticulata | Ju Pi | 橘皮 |
| TCMH1185 | Lycium chinense | Gou Qi | 枸杞 |
| TCMH1186 | Lycium chinense | Gou Qi Zi | 枸杞子 |
| TCMH120 | Atractylodes macrocephala | Bai Zhu | 白术 |
Showing 1 to 10 of 105 entries
Ingredient ID: TCMC274
Formula: C6H14O
Ingredient ID: TCMC274
| Common Name | 1-Hexanol |
| IUPAC Name | hexan-1-ol |
| Canonical SMILES | CCCCCCO |
| Standard InCHI | InChI=1S/C6H14O/c1-2-3-4-5-6-7/h7H,2-6H2,1H3 |
| Standard InCHIKey | ZSIAUFGUXNUGDI-UHFFFAOYSA-N |
| External Identifiers | ChEMBL [CHEMBL14085]; PubChem [8103]; |
| Reference of Component-Ingredient Pair | 22970999 |
Occurrence of the ingredient across TCM components
| Component ID | Latin Name | Pinyin Name | Chinese Name |
|---|---|---|---|
| TCMH108 | Perilla frutescens | Bai Su Zi | 白苏子 |
| 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 |
| TCMH1185 | Lycium chinense | Gou Qi | 枸杞 |
| TCMH1186 | Lycium chinense | Gou Qi Zi | 枸杞子 |
| TCMH12 | Artemisia argyi | Ai Ye | 艾叶 |
| TCMH13 | Artemisia argyi | Ai Ye You | 艾叶油 |
| TCMH130 | Pinellia ternata | Ban Xia | 半夏 |
| TCMH131 | Pinellia ternata | Ban Xia Qu | 半夏曲 |
Showing 1 to 10 of 59 entries
Ingredient ID: TCMC2694
Formula: C20H24O6
Ingredient ID: TCMC2694
| Common Name | Isolariciresinol |
| IUPAC Name | (6R,7R,8S)-8-(4-hydroxy-3-methoxyphenyl)-6,7-bis(hydroxymethyl)-3-methoxy-5,6,7,8-tetrahydronaphthalen-2-ol |
| Canonical SMILES | OC[C@@H]1Cc2cc(OC)c(cc2[C@@H]([C@H]1CO)c1ccc(c(c1)OC)O)O |
| Standard InCHI | InChI=1S/C20H24O6/c1-25-18-6-11(3-4-16(18)23)20-14-8-17(24)19(26-2)7-12(14)5-13(9-21)15(20)10-22/h3-4,6-8,13,15,20-24H,5,9-10H2,1-2H3/t13-,15-,20-/m0/s1 |
| Standard InCHIKey | OGFXBIXJCWAUCH-KPHUOKFYSA-N |
| External Identifiers | ChEMBL [CHEMBL399512]; PubChem [160521]; |
| Reference of Component-Ingredient Pair | N/A |
Occurrence of the ingredient across TCM components
| Component ID | Latin Name | Pinyin Name | Chinese Name |
|---|---|---|---|
| TCMH1039 | Kummerowia striata | Ji Yan Cao | 鸡眼草 |
| TCMH1064 | Coptis chinensis | Jiang Huang Lian | 姜黄连 |
| TCMH1086 | Sambucus williamsii | Jie Gu Mu | 接骨木 |
| TCMH1161 | Coptis chinensis | Jiu Huang Lian | 酒黄连 |
| TCMH1272 | Forsythia suspensa | Lian Qiao | 连翘 |
| TCMH130 | Pinellia ternata | Ban Xia | 半夏 |
| TCMH131 | Pinellia ternata | Ban Xia Qu | 半夏曲 |
| TCMH1452 | Gerbera piloselloides | Mao Da Ding Cao | 毛大丁草 |
| TCMH1677 | Pinellia ternata | Qing Ban Xia | 清半夏 |
| TCMH1735 | Kummerowia striata | Ren Zi Cao | 人字草 |
Showing 1 to 10 of 30 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: TCMC2539
Formula: C10H16
Ingredient ID: TCMC2539
| Common Name | Gamma-Terpinene |
| IUPAC Name | 1-methyl-4-propan-2-ylcyclohexa-1,4-diene |
| Canonical SMILES | CC1=CCC(=CC1)C(C)C |
| Standard InCHI | InChI=1S/C10H16/c1-8(2)10-6-4-9(3)5-7-10/h4,7-8H,5-6H2,1-3H3 |
| Standard InCHIKey | YKFLAYDHMOASIY-UHFFFAOYSA-N |
| External Identifiers | ChEMBL [CHEMBL449693]; PubChem [7461]; |
| Reference of Component-Ingredient Pair | 29191726 |
Occurrence of the ingredient across TCM components
| Component ID | Latin Name | Pinyin Name | Chinese Name |
|---|---|---|---|
| TCMH1000 | Foeniculum vulgare | Hui Xiang | 茴香 |
| TCMH1033 | Centella asiatica | Ji Xue Cao | 积雪草 |
| TCMH1063 | Curcuma longa | Jiang Huang | 姜黄 |
| TCMH114 | Platycladus orientalis | Bai Ye | 柏叶 |
| TCMH1178 | Citrus reticulata | Ju He | 橘核 |
| TCMH1184 | Citrus reticulata | Ju Pi | 橘皮 |
| TCMH12 | Artemisia argyi | Ai Ye | 艾叶 |
| TCMH1225 | Valeriana officinalis | Kuan Ye Xie Cao | 宽叶缬草 |
| TCMH1272 | Forsythia suspensa | Lian Qiao | 连翘 |
| TCMH1280 | Rhizoma ahemones daddeanae | Liang Tou Jian | 两头尖 |
Showing 1 to 10 of 92 entries
Ingredient ID: TCMC2484
Formula: C10H18O
Ingredient ID: TCMC2484
| Common Name | Terpineol |
| IUPAC Name | 4-methyl-1-propan-2-ylcyclohex-3-en-1-ol |
| Canonical SMILES | CC1=CCC(CC1)(O)C(C)C |
| Standard InCHI | InChI=1S/C10H18O/c1-8(2)10(11)6-4-9(3)5-7-10/h4,8,11H,5-7H2,1-3H3 |
| Standard InCHIKey | WRYLYDPHFGVWKC-UHFFFAOYSA-N |
| External Identifiers | ChEMBL [CHEMBL507795]; PubChem [11230]; |
| Reference of Component-Ingredient Pair | 23122094 |
Occurrence of the ingredient across TCM components
| Component ID | Latin Name | Pinyin Name | Chinese Name |
|---|---|---|---|
| TCMH1000 | Foeniculum vulgare | Hui Xiang | 茴香 |
| TCMH1063 | Curcuma longa | Jiang Huang | 姜黄 |
| TCMH1127 | Lonicera japonica | Jin Yin Hua | 金银花 |
| TCMH1128 | Lonicera japonica | Jin Yin Hua Ti Qu Ye | 金银花提取液 |
| TCMH1178 | Citrus reticulata | Ju He | 橘核 |
| TCMH1184 | Citrus reticulata | Ju Pi | 橘皮 |
| TCMH12 | Artemisia argyi | Ai Ye | 艾叶 |
| TCMH1225 | Valeriana officinalis | Kuan Ye Xie Cao | 宽叶缬草 |
| TCMH1272 | Forsythia suspensa | Lian Qiao | 连翘 |
| TCMH13 | Artemisia argyi | Ai Ye You | 艾叶油 |
Showing 1 to 10 of 101 entries
Ingredient ID: TCMC2457
Formula: C20H22O6
Ingredient ID: TCMC2457
| Common Name | (+/-)-Pinoresinol |
| IUPAC Name | 4-[6-(4-hydroxy-3-methoxyphenyl)-1,3,3a,4,6,6a-hexahydrofuro[3,4-c]furan-3-yl]-2-methoxyphenol |
| Canonical SMILES | COc1cc(ccc1O)C1OCC2C1COC2c1ccc(c(c1)OC)O |
| Standard InCHI | InChI=1S/C20H22O6/c1-23-17-7-11(3-5-15(17)21)19-13-9-26-20(14(13)10-25-19)12-4-6-16(22)18(8-12)24-2/h3-8,13-14,19-22H,9-10H2,1-2H3 |
| Standard InCHIKey | HGXBRUKMWQGOIE-UHFFFAOYSA-N |
| External Identifiers | ChEMBL [CHEMBL2252392]; PubChem [234817]; |
| Reference of Component-Ingredient Pair | N/A |
Occurrence of the ingredient across TCM components
| Component ID | Latin Name | Pinyin Name | Chinese Name |
|---|---|---|---|
| TCMH1064 | Coptis chinensis | Jiang Huang Lian | 姜黄连 |
| TCMH1086 | Sambucus williamsii | Jie Gu Mu | 接骨木 |
| TCMH1161 | Coptis chinensis | Jiu Huang Lian | 酒黄连 |
| TCMH1272 | Forsythia suspensa | Lian Qiao | 连翘 |
| TCMH1322 | Solanum nigrum | Long Kui | 龙葵 |
| TCMH1943 | Punica granatum | Shi Liu | 石榴 |
| TCMH1944 | Punica granatum | Shi Liu Pi | 石榴皮 |
| TCMH1945 | Punica granatum | Shi Liu Zi | 石榴子 |
| TCMH2050 | Punica granatum | Suan Shi Liu | 酸石榴 |
| TCMH2330 | Coptis chinensis | Xiong Huang Lian | 雄黄连 |
Showing 1 to 10 of 28 entries
Ingredient ID: TCMC2411
Formula: C30H48O3
Ingredient ID: TCMC2411
| Common Name | Epi-Oleanolic Acid |
| IUPAC Name | (4aS,6aR,6aS,6bR,8aR,10R,12aR,14bS)-10-hydroxy-2,2,6a,6b,9,9,12a-heptamethyl-1,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropicene-4a-carboxylic acid |
| Canonical SMILES | O[C@@H]1CC[C@]2([C@H](C1(C)C)CC[C@@]1([C@@H]2CC=C2[C@@]1(C)CC[C@@]1([C@H]2CC(C)(C)CC1)C(=O)O)C)C |
| Standard InCHI | InChI=1S/C30H48O3/c1-25(2)14-16-30(24(32)33)17-15-28(6)19(20(30)18-25)8-9-22-27(5)12-11-23(31)26(3,4)21(27)10-13-29(22,28)7/h8,20-23,31H,9-18H2,1-7H3,(H,32,33)/t20-,21-,22+,23+,27-,28+,29+,30-/m0/s1 |
| Standard InCHIKey | MIJYXULNPSFWEK-KDQGZELNSA-N |
| External Identifiers | ChEMBL [CHEMBL486382]; PubChem [11869658]; |
| Reference of Component-Ingredient Pair | 25172756 |
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 |
| TCMH108 | Perilla frutescens | Bai Su Zi | 白苏子 |
| TCMH1080 | Platycodon grandiflorum | Jie Geng | 桔梗 |
| TCMH1082 | Platycodon grandiflorum | Jie Geng Gan Gao | 桔梗干膏 |
| TCMH1083 | Platycodon grandiflorum | Jie Geng Gan Gao Fen | 桔梗干膏粉 |
| TCMH1084 | Platycodon grandiflorum | Jie Geng Liu Jin Gao | 桔梗流浸膏 |
| TCMH1085 | Platycodon grandiflorum | Jie Geng Liu Zhu Gao | 桔梗流注膏 |
| TCMH1584 | Achyranthes bidentata | Niu Teng | 牛藤 |
Showing 1 to 10 of 33 entries
Ingredient ID: TCMC2405
Formula: C48H28O30
Ingredient ID: TCMC2405
| Common Name | Punicacortein C |
| IUPAC Name | n.a. |
| Canonical SMILES | O[C@@H]1COC(=O)c2cc(O)c(c(c2c2c(O)c(O)c3c4c2c(=O)oc2c(c(c(c5c(C(=O)O[C@H]1[C@H]1OC(=O)c6cc(O)c(c(c6c6c7C(=O)O[C@@H]1[C@H](O)c7c(O)c(c6O)O)O)O)cc(O)c(c5O)O)c(c(=O)o3)c42)O)O)O)O |
| Standard InCHI | InChI=1S/C48H28O30/c49-8-1-5-12(27(56)24(8)53)15-20-18-19-21(47(71)76-39(18)36(65)31(15)60)16(32(61)37(66)40(19)75-46(20)70)13-6(2-9(50)25(54)28(13)57)44(68)74-38(11(52)4-73-43(5)67)42-41-34(63)23-22(48(72)77-41)17(30(59)35(64)33(23)62)14-7(45(69)78-42)3-10(51)26(55)29(14)58/h1-3,11,34,38,41-42,49-66H,4H2/t11-,34-,38-,41-,42-/m1/s1 |
| Standard InCHIKey | FESAEKUFXJFTFG-SMFQJOPGSA-N |
| External Identifiers | ChEMBL [CHEMBL505828]; PubChem [44567110]; |
| Reference of Component-Ingredient Pair | N/A |
Occurrence of the ingredient across TCM components
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: TCMC2324
Formula: C10H16
Ingredient ID: TCMC2324
| Common Name | Limonene |
| IUPAC Name | (4R)-1-methyl-4-prop-1-en-2-ylcyclohexene |
| Canonical SMILES | CC1=CC[C@@H](CC1)C(=C)C |
| Standard InCHI | InChI=1S/C10H16/c1-8(2)10-6-4-9(3)5-7-10/h4,10H,1,5-7H2,2-3H3/t10-/m0/s1 |
| Standard InCHIKey | XMGQYMWWDOXHJM-JTQLQIEISA-N |
| External Identifiers | ChEMBL [CHEMBL449062]; PubChem [440917]; |
| Reference of Component-Ingredient Pair | 22945026 |
Occurrence of the ingredient across TCM components
| Component ID | Latin Name | Pinyin Name | Chinese Name |
|---|---|---|---|
| TCMH1000 | Foeniculum vulgare | Hui Xiang | 茴香 |
| TCMH1063 | Curcuma longa | Jiang Huang | 姜黄 |
| TCMH108 | Perilla frutescens | Bai Su Zi | 白苏子 |
| TCMH1141 | Schizonepeta tenuifolia | Jing Jie | 荆芥 |
| TCMH1142 | Schizonepetae spica | Jing Jie Sui | 荆芥穗 |
| TCMH1165 | Murraya paniculata | Jiu Li Xiang | 九里香 |
| 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 147 entries
Ingredient ID: TCMC2304
Formula: C27H24O18
Ingredient ID: TCMC2304
| Common Name | 1,2,6-Tri-O-Galloyl-Beta-D-Glucose |
| IUPAC Name | [(2R,3S,4S,5R,6S)-3,4-dihydroxy-5,6-bis[(3,4,5-trihydroxybenzoyl)oxy]oxan-2-yl]methyl 3,4,5-trihydroxybenzoate |
| Canonical SMILES | O[C@@H]1[C@@H](COC(=O)c2cc(O)c(c(c2)O)O)O[C@H]([C@@H]([C@H]1O)OC(=O)c1cc(O)c(c(c1)O)O)OC(=O)c1cc(O)c(c(c1)O)O |
| Standard InCHI | InChI=1S/C27H24O18/c28-11-1-8(2-12(29)18(11)34)24(39)42-7-17-21(37)22(38)23(44-25(40)9-3-13(30)19(35)14(31)4-9)27(43-17)45-26(41)10-5-15(32)20(36)16(33)6-10/h1-6,17,21-23,27-38H,7H2/t17-,21-,22+,23-,27+/m1/s1 |
| Standard InCHIKey | LLENXGNWVNSBQG-VFTFQOQOSA-N |
| External Identifiers | ChEMBL [CHEMBL447974]; PubChem [440308]; |
| Reference of Component-Ingredient Pair | 22506400 |
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 |
| TCMH1475 | Glycyrrhiza uralensis | Mi Gan Cao | 蜜甘草 |
| TCMH1899 | Glycyrrhiza uralensis | Sheng Gan Cao | 生甘草 |
| TCMH1943 | Punica granatum | Shi Liu | 石榴 |
| TCMH1944 | Punica granatum | Shi Liu Pi | 石榴皮 |
| TCMH1945 | Punica granatum | Shi Liu Zi | 石榴子 |
| TCMH2050 | Punica granatum | Suan Shi Liu | 酸石榴 |
| TCMH2087 | Grangea maderaspatana | Tian Ji Huang | 田基黄 |
| TCMH2135 | Glycyrrhiza uralensis | Tu Gan Cao | 土甘草 |
| TCMH363 | Rheum officinale | Da Huang | 大黄 |
Showing 1 to 10 of 25 entries
Ingredient ID: TCMC2276
Formula: C20H16O12
Ingredient ID: TCMC2276
| Common Name | Eschweilenol C |
| IUPAC Name | n.a. |
| Canonical SMILES | O[C@H]1[C@@H](O[C@H]([C@@H]([C@H]1O)O)C)Oc1cc2c(=O)oc3c4c2c(c1O)oc(=O)c4cc(c3O)O |
| Standard InCHI | InChI=1S/C20H16O12/c1-4-11(22)14(25)15(26)20(29-4)30-8-3-6-10-9-5(18(27)32-17(10)13(8)24)2-7(21)12(23)16(9)31-19(6)28/h2-4,11,14-15,20-26H,1H3/t4-,11-,14+,15+,20-/m0/s1 |
| Standard InCHIKey | NLOYJHDXNPMFKW-RGYXEVLJSA-N |
| External Identifiers | ChEMBL [CHEMBL516559]; PubChem [10026656]; |
| Reference of Component-Ingredient Pair | N/A |
Occurrence of the ingredient across TCM components
Ingredient ID: TCMC2232
Formula: C29H50O2
Ingredient ID: TCMC2232
| Common Name | Vitamin E |
| IUPAC Name | (2R)-2,5,7,8-tetramethyl-2-[(4R,8R)-4,8,12-trimethyltridecyl]-3,4-dihydrochromen-6-ol |
| Canonical SMILES | C[C@@H](CCC[C@]1(C)CCc2c(O1)c(C)c(c(c2C)O)C)CCC[C@@H](CCCC(C)C)C |
| Standard InCHI | InChI=1S/C29H50O2/c1-20(2)12-9-13-21(3)14-10-15-22(4)16-11-18-29(8)19-17-26-25(7)27(30)23(5)24(6)28(26)31-29/h20-22,30H,9-19H2,1-8H3/t21-,22-,29-/m1/s1 |
| Standard InCHIKey | GVJHHUAWPYXKBD-IEOSBIPESA-N |
| External Identifiers | ChEMBL [CHEMBL47]; PubChem [14985]; |
| Reference of Component-Ingredient Pair | 23122131 |
Occurrence of the ingredient across TCM components
| Component ID | Latin Name | Pinyin Name | Chinese Name |
|---|---|---|---|
| TCMH108 | Perilla frutescens | Bai Su Zi | 白苏子 |
| TCMH1090 | Brassica juncea | Jie Zi | 芥子 |
| TCMH1239 | Raphanus sativus | Lai Fu | 莱菔 |
| TCMH1240 | Raphanus sativus | Lai Fu Zi | 莱菔子 |
| TCMH1499 | Changium smyrnioides | Ming Dang Shen | 明党参 |
| TCMH1584 | Achyranthes bidentata | Niu Teng | 牛藤 |
| TCMH1588 | Achyranthes bidentata | Niu Xi | 牛膝 |
| TCMH1632 | Taraxacum mongolicum | Pu Gong Ying | 蒲公英 |
| TCMH1633 | Taraxacum mongolicum | Pu Gong Ying Jin Gao | 蒲公英浸膏 |
| TCMH1643 | Syzygium jambos | Pu Tao(1) | 蒲桃 |
Showing 1 to 10 of 47 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: TCMC2216
Formula: C30H48O3
Ingredient ID: TCMC2216
| Common Name | Ursolic Acid |
| IUPAC Name | (1S,2R,4aS,6aR,6aS,6bR,8aR,10S,12aR,14bS)-10-hydroxy-1,2,6a,6b,9,9,12a-heptamethyl-2,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydro-1H-picene-4a-carboxylic acid |
| Canonical SMILES | C[C@@H]1CC[C@]2([C@@H]([C@H]1C)C1=CC[C@H]3[C@@]([C@@]1(CC2)C)(C)CC[C@@H]1[C@]3(C)CC[C@@H](C1(C)C)O)C(=O)O |
| Standard InCHI | InChI=1S/C30H48O3/c1-18-10-15-30(25(32)33)17-16-28(6)20(24(30)19(18)2)8-9-22-27(5)13-12-23(31)26(3,4)21(27)11-14-29(22,28)7/h8,18-19,21-24,31H,9-17H2,1-7H3,(H,32,33)/t18-,19+,21+,22-,23+,24+,27+,28-,29-,30+/m1/s1 |
| Standard InCHIKey | WCGUUGGRBIKTOS-GPOJBZKASA-N |
| External Identifiers | ChEMBL [CHEMBL169]; PubChem [64945]; |
| Reference of Component-Ingredient Pair | 27085377 |
Occurrence of the ingredient across TCM components
| Component ID | Latin Name | Pinyin Name | Chinese Name |
|---|---|---|---|
| TCMH1033 | Centella asiatica | Ji Xue Cao | 积雪草 |
| TCMH1039 | Kummerowia striata | Ji Yan Cao | 鸡眼草 |
| TCMH108 | Perilla frutescens | Bai Su Zi | 白苏子 |
| TCMH1105 | Trollius chinensis | Jin Lian Hua | 金莲花 |
| TCMH1121 | Cardiospermum halicacabum | Jin Si Ku Lian | 金丝苦楝 |
| TCMH1126 | Craibiodendron yunnanese | Jin Ye Zi | 金叶子 |
| TCMH1127 | Lonicera japonica | Jin Yin Hua | 金银花 |
| TCMH1128 | Lonicera japonica | Jin Yin Hua Ti Qu Ye | 金银花提取液 |
| TCMH1133 | Rosa laevigata | Jin Ying Zi | 金樱子 |
| TCMH1134 | Rosa laevigata | Jin Ying Zi Rou | 金樱子肉 |
Showing 1 to 10 of 99 entries
Ingredient ID: TCMC2187
Formula: C15H10O7
Ingredient ID: TCMC2187
| Common Name | Tricetin |
| IUPAC Name | 5,7-dihydroxy-2-(3,4,5-trihydroxyphenyl)chromen-4-one |
| Canonical SMILES | Oc1cc(O)c2c(c1)oc(cc2=O)c1cc(O)c(c(c1)O)O |
| Standard InCHI | InChI=1S/C15H10O7/c16-7-3-8(17)14-9(18)5-12(22-13(14)4-7)6-1-10(19)15(21)11(20)2-6/h1-5,16-17,19-21H |
| Standard InCHIKey | ARSRJFRKVXALTF-UHFFFAOYSA-N |
| External Identifiers | ChEMBL [CHEMBL247484]; PubChem [5281701]; |
| Reference of Component-Ingredient Pair | N/A |
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 |
| TCMH1943 | Punica granatum | Shi Liu | 石榴 |
| TCMH1944 | Punica granatum | Shi Liu Pi | 石榴皮 |
| TCMH1945 | Punica granatum | Shi Liu Zi | 石榴子 |
| TCMH2050 | Punica granatum | Suan Shi Liu | 酸石榴 |
| 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 |
Showing 1 to 8 of 8 entries
Ingredient ID: TCMC2117
Formula: C22H26O8
Ingredient ID: TCMC2117
| Common Name | Syringaresinol |
| IUPAC Name | 4-[(3S,3aR,6S,6aR)-6-(4-hydroxy-3,5-dimethoxyphenyl)-1,3,3a,4,6,6a-hexahydrofuro[3,4-c]furan-3-yl]-2,6-dimethoxyphenol |
| Canonical SMILES | COc1cc(cc(c1O)OC)[C@H]1OC[C@H]2[C@@H]1CO[C@@H]2c1cc(OC)c(c(c1)OC)O |
| Standard InCHI | InChI=1S/C22H26O8/c1-25-15-5-11(6-16(26-2)19(15)23)21-13-9-30-22(14(13)10-29-21)12-7-17(27-3)20(24)18(8-12)28-4/h5-8,13-14,21-24H,9-10H2,1-4H3/t13-,14-,21+,22+/m0/s1 |
| Standard InCHIKey | KOWMJRJXZMEZLD-HCIHMXRSSA-N |
| External Identifiers | ChEMBL [CHEMBL361362]; PubChem [443023]; |
| Reference of Component-Ingredient Pair | 23444043 |
Occurrence of the ingredient across TCM components
| Component ID | Latin Name | Pinyin Name | Chinese Name |
|---|---|---|---|
| TCMH1086 | Sambucus williamsii | Jie Gu Mu | 接骨木 |
| TCMH1322 | Solanum nigrum | Long Kui | 龙葵 |
| TCMH143 | Albizia julibrissin | Bei He Huan | 北合欢 |
| TCMH1460 | Zanthoxylum nitidum | Mao Liang Mian Zhen | 毛两面针 |
| TCMH149 | Lepidium apetalum | Bei Ting Li Zi | 北葶苈子 |
| TCMH1680 | Sinomenium acutum | Qing Feng Teng | 青风藤 |
| TCMH1740 | Cistanche deserticola | Rou Cong Rong | 肉苁蓉 |
| TCMH1943 | Punica granatum | Shi Liu | 石榴 |
| TCMH1944 | Punica granatum | Shi Liu Pi | 石榴皮 |
| TCMH1945 | Punica granatum | Shi Liu Zi | 石榴子 |
Showing 1 to 10 of 32 entries
Ingredient ID: TCMC2111
Formula: C4H6O4
Ingredient ID: TCMC2111
| Common Name | Succinic Acid |
| IUPAC Name | butanedioic acid |
| Canonical SMILES | OC(=O)CCC(=O)O |
| Standard InCHI | InChI=1S/C4H6O4/c5-3(6)1-2-4(7)8/h1-2H2,(H,5,6)(H,7,8) |
| Standard InCHIKey | KDYFGRWQOYBRFD-UHFFFAOYSA-N |
| External Identifiers | ChEMBL [CHEMBL576]; PubChem [1110]; |
| Reference of Component-Ingredient Pair | 29968805 |
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 |
| TCMH103 | Thesium chinense | Bai Rui Cao | 百蕊草 |
| 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 |
| TCMH1117 | Rhizoma fagopyri cymosi | Jin Qiao Mai | 金荞麦 |
| TCMH1122 | Psammosilene tunicoides | Jin Tie Suo | 金铁锁 |
Showing 1 to 10 of 90 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: 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: 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: TCMC1966
Formula: C48H28O30
Ingredient ID: TCMC1966
| Common Name | Punicalagin |
| IUPAC Name | n.a. |
| Canonical SMILES | O[C@@H]1O[C@@H]2COC(=O)c3cc(O)c(c(c3c3c(O)c(O)c4c5c3c(=O)oc3c(c(c(c6c(C(=O)O[C@H]2[C@H]2[C@H]1OC(=O)c1cc(O)c(c(c1c1c(C(=O)O2)cc(c(c1O)O)O)O)O)cc(O)c(c6O)O)c(c(=O)o4)c53)O)O)O)O |
| Standard InCHI | InChI=1S/C48H28O30/c49-10-1-6-17(31(59)27(10)55)19-23-21-22-24(47(70)76-38(21)35(63)33(19)61)20(34(62)36(64)39(22)75-46(23)69)18-9(4-13(52)28(56)32(18)60)43(66)74-37-14(5-72-42(6)65)73-48(71)41-40(37)77-44(67)7-2-11(50)25(53)29(57)15(7)16-8(45(68)78-41)3-12(51)26(54)30(16)58/h1-4,14,37,40-41,48-64,71H,5H2/t14-,37-,40+,41-,48-/m1/s1 |
| Standard InCHIKey | ZJVUMAFASBFUBG-RILGRMFESA-N |
| External Identifiers | ChEMBL [CHEMBL506814]; PubChem [16148440]; |
| Reference of Component-Ingredient Pair | N/A |
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 |
| TCMH1939 | Combretum indicum | Shi Jun Zi Ren | 使君子仁 |
| TCMH1943 | Punica granatum | Shi Liu | 石榴 |
| TCMH1944 | Punica granatum | Shi Liu Pi | 石榴皮 |
| TCMH1945 | Punica granatum | Shi Liu Zi | 石榴子 |
| TCMH2050 | Punica granatum | Suan Shi Liu | 酸石榴 |
| TCMH210 | Terminalia chebula | Cang Qing Guo | 藏青果 |
| TCMH826 | Terminalia chebula | He Zi | 诃子 |
| TCMH827 | Terminalia chebula | He Zi Rou | 诃子肉 |
Showing 1 to 9 of 9 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: TCMC1935
Formula: C21H32O2
Ingredient ID: TCMC1935
| Common Name | Pregnenolone |
| IUPAC Name | 1-[(3S,8S,9S,10R,13S,14S,17S)-3-hydroxy-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl]ethanone |
| Canonical SMILES | O[C@H]1CC[C@]2(C(=CC[C@@H]3[C@@H]2CC[C@]2([C@H]3CC[C@@H]2C(=O)C)C)C1)C |
| Standard InCHI | InChI=1S/C21H32O2/c1-13(22)17-6-7-18-16-5-4-14-12-15(23)8-10-20(14,2)19(16)9-11-21(17,18)3/h4,15-19,23H,5-12H2,1-3H3/t15-,16-,17+,18-,19-,20-,21+/m0/s1 |
| Standard InCHIKey | ORNBQBCIOKFOEO-QGVNFLHTSA-N |
| External Identifiers | ChEMBL [CHEMBL253363]; PubChem [8955]; |
| Reference of Component-Ingredient Pair | 29100959 |
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 |
| TCMH1734 | Homo sapiens | Ren Zhong Bai | 人中白 |
| TCMH1943 | Punica granatum | Shi Liu | 石榴 |
| TCMH1944 | Punica granatum | Shi Liu Pi | 石榴皮 |
| TCMH1945 | Punica granatum | Shi Liu Zi | 石榴子 |
| TCMH2050 | Punica granatum | Suan Shi Liu | 酸石榴 |
| TCMH2710 | Homo sapiens | Zi He Che | 紫河车 |
| TCMH346 | Selaginella uncinata | Cui Yun Cao | 翠云草 |
| TCMH670 | Ligusticum sinense | Gao Ben | 藁本 |
Showing 1 to 9 of 9 entries
Ingredient ID: TCMC19
Formula: C20H22O6
Ingredient ID: TCMC19
| Common Name | (-)-Pinoresinol |
| IUPAC Name | 4-[(3R,3aR,6R,6aR)-6-(4-hydroxy-3-methoxyphenyl)-1,3,3a,4,6,6a-hexahydrofuro[3,4-c]furan-3-yl]-2-methoxyphenol |
| Canonical SMILES | COc1cc(ccc1O)[C@@H]1OC[C@H]2[C@@H]1CO[C@H]2c1ccc(c(c1)OC)O |
| Standard InCHI | InChI=1S/C20H22O6/c1-23-17-7-11(3-5-15(17)21)19-13-9-26-20(14(13)10-25-19)12-4-6-16(22)18(8-12)24-2/h3-8,13-14,19-22H,9-10H2,1-2H3/t13-,14-,19-,20-/m0/s1 |
| Standard InCHIKey | HGXBRUKMWQGOIE-FEBSWUBLSA-N |
| External Identifiers | ChEMBL [CHEMBL460862]; PubChem [12309637]; |
| Reference of Component-Ingredient Pair | N/A |
Occurrence of the ingredient across TCM components
| Component ID | Latin Name | Pinyin Name | Chinese Name |
|---|---|---|---|
| TCMH1064 | Coptis chinensis | Jiang Huang Lian | 姜黄连 |
| TCMH1086 | Sambucus williamsii | Jie Gu Mu | 接骨木 |
| TCMH1139 | Radix euphorbiae pekinensis | Jing Da Ji | 京大戟 |
| TCMH1161 | Coptis chinensis | Jiu Huang Lian | 酒黄连 |
| TCMH1272 | Forsythia suspensa | Lian Qiao | 连翘 |
| TCMH1322 | Solanum nigrum | Long Kui | 龙葵 |
| TCMH1943 | Punica granatum | Shi Liu | 石榴 |
| TCMH1944 | Punica granatum | Shi Liu Pi | 石榴皮 |
| TCMH1945 | Punica granatum | Shi Liu Zi | 石榴子 |
| TCMH2050 | Punica granatum | Suan Shi Liu | 酸石榴 |
Showing 1 to 10 of 27 entries
Ingredient ID: TCMC1899
Formula: C20H22O6
Ingredient ID: TCMC1899
| Common Name | Pinoresinol |
| IUPAC Name | 4-[(3R,3aR,6S,6aR)-6-(4-hydroxy-3-methoxyphenyl)-1,3,3a,4,6,6a-hexahydrofuro[3,4-c]furan-3-yl]-2-methoxyphenol |
| Canonical SMILES | COc1cc(ccc1O)[C@@H]1OC[C@H]2[C@@H]1CO[C@@H]2c1ccc(c(c1)OC)O |
| Standard InCHI | InChI=1S/C20H22O6/c1-23-17-7-11(3-5-15(17)21)19-13-9-26-20(14(13)10-25-19)12-4-6-16(22)18(8-12)24-2/h3-8,13-14,19-22H,9-10H2,1-2H3/t13-,14-,19-,20+/m0/s1 |
| Standard InCHIKey | HGXBRUKMWQGOIE-WZBLMQSHSA-N |
| External Identifiers | ChEMBL [CHEMBL487611]; PubChem [637584]; |
| Reference of Component-Ingredient Pair | 23444043 |
Occurrence of the ingredient across TCM components
| Component ID | Latin Name | Pinyin Name | Chinese Name |
|---|---|---|---|
| TCMH1064 | Coptis chinensis | Jiang Huang Lian | 姜黄连 |
| TCMH1086 | Sambucus williamsii | Jie Gu Mu | 接骨木 |
| TCMH1161 | Coptis chinensis | Jiu Huang Lian | 酒黄连 |
| TCMH1245 | Stellera chamaejasme | Lang Du | 狼毒 |
| TCMH1272 | Forsythia suspensa | Lian Qiao | 连翘 |
| TCMH1322 | Solanum nigrum | Long Kui | 龙葵 |
| TCMH1943 | Punica granatum | Shi Liu | 石榴 |
| TCMH1944 | Punica granatum | Shi Liu Pi | 石榴皮 |
| TCMH1945 | Punica granatum | Shi Liu Zi | 石榴子 |
| TCMH2050 | Punica granatum | Suan Shi Liu | 酸石榴 |
Showing 1 to 10 of 30 entries
Ingredient ID: TCMC1898
Formula: C15H12O4
Ingredient ID: TCMC1898
| Common Name | Pinocembrin |
| IUPAC Name | (2S)-5,7-dihydroxy-2-phenyl-2,3-dihydrochromen-4-one |
| Canonical SMILES | Oc1cc2O[C@@H](CC(=O)c2c(c1)O)c1ccccc1 |
| Standard InCHI | InChI=1S/C15H12O4/c16-10-6-11(17)15-12(18)8-13(19-14(15)7-10)9-4-2-1-3-5-9/h1-7,13,16-17H,8H2/t13-/m0/s1 |
| Standard InCHIKey | URFCJEUYXNAHFI-ZDUSSCGKSA-N |
| External Identifiers | ChEMBL [CHEMBL399910]; PubChem [68071]; |
| Reference of Component-Ingredient Pair | 16133333 |
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 |
| TCMH109 | Pulsatilla chinensis | Bai Tou Weng | 白头翁 |
| TCMH12 | Artemisia argyi | Ai Ye | 艾叶 |
| TCMH128 | Castanea mollissima | Ban Li Ke | 板栗壳 |
| TCMH13 | Artemisia argyi | Ai Ye You | 艾叶油 |
| TCMH1437 | Rhododendron dauricum | Man Shan Hong | 满山红 |
| TCMH1462 | Moschus moschiferus | Mao She Xiang | 毛麝香 |
| TCMH1463 | Moschus moschiferus | Mao She Xiang Jin Gao | 毛麝香浸膏 |
| TCMH1475 | Glycyrrhiza uralensis | Mi Gan Cao | 蜜甘草 |
Showing 1 to 10 of 40 entries
Ingredient ID: TCMC1879
Formula: C21H24O10
Ingredient ID: TCMC1879
| Common Name | Phlorizin |
| IUPAC Name | 1-[2,4-dihydroxy-6-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]-3-(4-hydroxyphenyl)propan-1-one |
| Canonical SMILES | OC[C@H]1O[C@@H](Oc2cc(O)cc(c2C(=O)CCc2ccc(cc2)O)O)[C@@H]([C@H]([C@@H]1O)O)O |
| Standard InCHI | InChI=1S/C21H24O10/c22-9-16-18(27)19(28)20(29)21(31-16)30-15-8-12(24)7-14(26)17(15)13(25)6-3-10-1-4-11(23)5-2-10/h1-2,4-5,7-8,16,18-24,26-29H,3,6,9H2/t16-,18-,19+,20-,21-/m1/s1 |
| Standard InCHIKey | IOUVKUPGCMBWBT-QNDFHXLGSA-N |
| External Identifiers | ChEMBL [CHEMBL245067]; PubChem [6072]; |
| Reference of Component-Ingredient Pair | N/A |
Occurrence of the ingredient across TCM components
| Component ID | Latin Name | Pinyin Name | Chinese Name |
|---|---|---|---|
| TCMH123 | Pteris semipinnata | Ban Bian Qi | 半边旗 |
| TCMH1943 | Punica granatum | Shi Liu | 石榴 |
| TCMH1944 | Punica granatum | Shi Liu Pi | 石榴皮 |
| TCMH1945 | Punica granatum | Shi Liu Zi | 石榴子 |
| TCMH2050 | Punica granatum | Suan Shi Liu | 酸石榴 |
| TCMH454 | Euphorbia humifusa | Di Jin Cao | 地锦草 |
| TCMH457 | Euphorbia humifusa | Di Mian Cao | 地绵草 |
| TCMH611 | Rubus idaeus | Fu Pen Zi | 覆盆子 |
Showing 1 to 8 of 8 entries
Ingredient ID: TCMC1878
Formula: C15H14O5
Ingredient ID: TCMC1878
| Common Name | Phloretin |
| IUPAC Name | 3-(4-hydroxyphenyl)-1-(2,4,6-trihydroxyphenyl)propan-1-one |
| Canonical SMILES | Oc1ccc(cc1)CCC(=O)c1c(O)cc(cc1O)O |
| Standard InCHI | InChI=1S/C15H14O5/c16-10-4-1-9(2-5-10)3-6-12(18)15-13(19)7-11(17)8-14(15)20/h1-2,4-5,7-8,16-17,19-20H,3,6H2 |
| Standard InCHIKey | VGEREEWJJVICBM-UHFFFAOYSA-N |
| External Identifiers | ChEMBL [CHEMBL45068]; PubChem [4788]; |
| Reference of Component-Ingredient Pair | N/A |
Occurrence of the ingredient across TCM components
| Component ID | Latin Name | Pinyin Name | Chinese Name |
|---|---|---|---|
| TCMH109 | Pulsatilla chinensis | Bai Tou Weng | 白头翁 |
| TCMH123 | Pteris semipinnata | Ban Bian Qi | 半边旗 |
| TCMH1734 | Homo sapiens | Ren Zhong Bai | 人中白 |
| TCMH1943 | Punica granatum | Shi Liu | 石榴 |
| TCMH1944 | Punica granatum | Shi Liu Pi | 石榴皮 |
| TCMH1945 | Punica granatum | Shi Liu Zi | 石榴子 |
| TCMH2050 | Punica granatum | Suan Shi Liu | 酸石榴 |
| TCMH2710 | Homo sapiens | Zi He Che | 紫河车 |
Showing 1 to 8 of 8 entries
Ingredient ID: TCMC1851
Formula: C41H32O26
Ingredient ID: TCMC1851
| Common Name | Pentagalloyl Glucose |
| IUPAC Name | [(2R,3R,4S,5R,6S)-3,4,5,6-tetrakis[(3,4,5-trihydroxybenzoyl)oxy]oxan-2-yl]methyl 3,4,5-trihydroxybenzoate |
| Canonical SMILES | O=C(c1cc(O)c(c(c1)O)O)O[C@@H]1O[C@H](COC(=O)c2cc(O)c(c(c2)O)O)[C@H]([C@@H]([C@H]1OC(=O)c1cc(O)c(c(c1)O)O)OC(=O)c1cc(O)c(c(c1)O)O)OC(=O)c1cc(O)c(c(c1)O)O |
| Standard InCHI | InChI=1S/C41H32O26/c42-17-1-12(2-18(43)28(17)52)36(57)62-11-27-33(64-37(58)13-3-19(44)29(53)20(45)4-13)34(65-38(59)14-5-21(46)30(54)22(47)6-14)35(66-39(60)15-7-23(48)31(55)24(49)8-15)41(63-27)67-40(61)16-9-25(50)32(56)26(51)10-16/h1-10,27,33-35,41-56H,11H2/t27-,33-,34+,35-,41+/m1/s1 |
| Standard InCHIKey | QJYNZEYHSMRWBK-NIKIMHBISA-N |
| External Identifiers | ChEMBL [CHEMBL382408]; PubChem [65238]; |
| Reference of Component-Ingredient Pair | 22512478 |
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 |
| TCMH1175 | Cornus officinalis | Jiu Yu Rou | 酒萸肉 |
| TCMH1448 | Mangifera indica | Mang Guo Ye | 芒果叶 |
| TCMH1681 | Artemisia carvifolia | Qing Hao | 青蒿 |
| TCMH1682 | Artemisia carvifolia | Qing Hao Zi | 青蒿子 |
| TCMH1862 | Cornus officinalis | Shan Zhu Yu | 山茱萸 |
| TCMH1865 | Paeonia obovata | Shao Yao | 芍药 |
| TCMH1943 | Punica granatum | Shi Liu | 石榴 |
| TCMH1944 | Punica granatum | Shi Liu Pi | 石榴皮 |
| TCMH1945 | Punica granatum | Shi Liu Zi | 石榴子 |
Showing 1 to 10 of 20 entries
Ingredient ID: TCMC1845
Formula: C34H24O22
Ingredient ID: TCMC1845
| Common Name | Pedunculagin |
| IUPAC Name | n.a. |
| Canonical SMILES | OC1O[C@@H]2COC(=O)c3cc(O)c(c(c3c3c(C(=O)O[C@H]2[C@H]2[C@H]1OC(=O)c1cc(O)c(c(c1c1c(C(=O)O2)cc(c(c1O)O)O)O)O)cc(O)c(c3O)O)O)O |
| Standard InCHI | InChI=1S/C34H24O22/c35-10-1-6-15(23(43)19(10)39)16-7(2-11(36)20(40)24(16)44)31(48)54-27-14(5-52-30(6)47)53-34(51)29-28(27)55-32(49)8-3-12(37)21(41)25(45)17(8)18-9(33(50)56-29)4-13(38)22(42)26(18)46/h1-4,14,27-29,34-46,51H,5H2/t14-,27-,28+,29-,34?/m1/s1 |
| Standard InCHIKey | IYMHVUYNBVWXKH-ZITZVVOASA-N |
| External Identifiers | ChEMBL [CHEMBL506204]; PubChem [442688]; |
| Reference of Component-Ingredient Pair | N/A |
Occurrence of the ingredient across TCM components
| Component ID | Latin Name | Pinyin Name | Chinese Name |
|---|---|---|---|
| TCMH1943 | Punica granatum | Shi Liu | 石榴 |
| TCMH1944 | Punica granatum | Shi Liu Pi | 石榴皮 |
| TCMH1945 | Punica granatum | Shi Liu Zi | 石榴子 |
| TCMH2050 | Punica granatum | Suan Shi Liu | 酸石榴 |
| TCMH462 | Sanguisorba officinalis | Di Yu | 地榆 |
| TCMH463 | Sanguisorba officinalis | Di Yu Tan | 地榆炭 |
Showing 1 to 6 of 6 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: TCMC1832
Formula: C16H30O2
Ingredient ID: TCMC1832
| Common Name | Palmitoleic Acid |
| IUPAC Name | (Z)-hexadec-9-enoic acid |
| Canonical SMILES | CCCCCC/C=CCCCCCCCC(=O)O |
| Standard InCHI | InChI=1S/C16H30O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16(17)18/h7-8H,2-6,9-15H2,1H3,(H,17,18)/b8-7- |
| Standard InCHIKey | SECPZKHBENQXJG-FPLPWBNLSA-N |
| External Identifiers | ChEMBL [CHEMBL453509]; PubChem [445638]; |
| 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 |
| 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 |
| 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 |
| TCMH1343 | Aloe vera | Lu Hui | 芦荟 |
Showing 1 to 10 of 80 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: TCMC1824
Formula: C47H51NO14
Ingredient ID: TCMC1824
| Common Name | Paclitaxel |
| IUPAC Name | n.a. |
| Canonical SMILES | CC(=O)O[C@H]1C(=O)[C@]2(C)[C@@H](O)C[C@@H]3[C@]([C@H]2[C@@H]([C@]2(C(C1=C(C)[C@@H](OC(=O)[C@@H]([C@H](c1ccccc1)N=C(c1ccccc1)O)O)C2)(C)C)O)OC(=O)c1ccccc1)(CO3)OC(=O)C |
| Standard InCHI | InChI=1S/C47H51NO14/c1-25-31(60-43(56)36(52)35(28-16-10-7-11-17-28)48-41(54)29-18-12-8-13-19-29)23-47(57)40(61-42(55)30-20-14-9-15-21-30)38-45(6,32(51)22-33-46(38,24-58-33)62-27(3)50)39(53)37(59-26(2)49)34(25)44(47,4)5/h7-21,31-33,35-38,40,51-52,57H,22-24H2,1-6H3,(H,48,54)/t31-,32-,33+,35-,36+,37+,38-,40-,45+,46-,47+/m0/s1 |
| Standard InCHIKey | RCINICONZNJXQF-MZXODVADSA-N |
| External Identifiers | ChEMBL [CHEMBL428647]; PubChem [36314]; |
| Reference of Component-Ingredient Pair | N/A |
Occurrence of the ingredient across TCM components
| Component ID | Latin Name | Pinyin Name | Chinese Name |
|---|---|---|---|
| TCMH1734 | Homo sapiens | Ren Zhong Bai | 人中白 |
| TCMH1943 | Punica granatum | Shi Liu | 石榴 |
| TCMH1944 | Punica granatum | Shi Liu Pi | 石榴皮 |
| TCMH1945 | Punica granatum | Shi Liu Zi | 石榴子 |
| TCMH2050 | Punica granatum | Suan Shi Liu | 酸石榴 |
| TCMH2710 | Homo sapiens | Zi He Che | 紫河车 |
Showing 1 to 6 of 6 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: TCMC1786
Formula: C30H48O3
Ingredient ID: TCMC1786
| Common Name | Oleanolic_Acid |
| IUPAC Name | (4aS,6aR,6aS,6bR,8aR,10S,12aR,14bS)-10-hydroxy-2,2,6a,6b,9,9,12a-heptamethyl-1,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropicene-4a-carboxylic acid |
| Canonical SMILES | O[C@H]1CC[C@]2([C@H](C1(C)C)CC[C@@]1([C@@H]2CC=C2[C@@]1(C)CC[C@@]1([C@H]2CC(C)(C)CC1)C(=O)O)C)C |
| Standard InCHI | InChI=1S/C30H48O3/c1-25(2)14-16-30(24(32)33)17-15-28(6)19(20(30)18-25)8-9-22-27(5)12-11-23(31)26(3,4)21(27)10-13-29(22,28)7/h8,20-23,31H,9-18H2,1-7H3,(H,32,33)/t20-,21-,22+,23-,27-,28+,29+,30-/m0/s1 |
| Standard InCHIKey | MIJYXULNPSFWEK-GTOFXWBISA-N |
| External Identifiers | ChEMBL [CHEMBL168]; PubChem [10494]; |
| Reference of Component-Ingredient Pair | 22002744 |
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 |
| TCMH1039 | Kummerowia striata | Ji Yan Cao | 鸡眼草 |
| TCMH108 | Perilla frutescens | Bai Su Zi | 白苏子 |
| TCMH1080 | Platycodon grandiflorum | Jie Geng | 桔梗 |
| TCMH1082 | Platycodon grandiflorum | Jie Geng Gan Gao | 桔梗干膏 |
| TCMH1083 | Platycodon grandiflorum | Jie Geng Gan Gao Fen | 桔梗干膏粉 |
| TCMH1084 | Platycodon grandiflorum | Jie Geng Liu Jin Gao | 桔梗流浸膏 |
| TCMH1085 | Platycodon grandiflorum | Jie Geng Liu Zhu Gao | 桔梗流注膏 |
Showing 1 to 10 of 135 entries
Ingredient ID: TCMC1668
Formula: C16H10O8
Ingredient ID: TCMC1668
| Common Name | n.a. |
| IUPAC Name | n.a. |
| Canonical SMILES | COc1c(O)cc2c3c1oc(=O)c1c3c(oc2=O)c(c(c1)O)OC |
| Standard InCHI | InChI=1S/C16H10O8/c1-21-11-7(17)3-5-9-10-6(15(19)23-13(9)11)4-8(18)12(22-2)14(10)24-16(5)20/h3-4,17-18H,1-2H3 |
| Standard InCHIKey | KLAGYIBJNXLDTL-UHFFFAOYSA-N |
| External Identifiers | ChEMBL [CHEMBL487203]; PubChem [5488919]; |
| Reference of Component-Ingredient Pair | 18322851 |
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 |
| TCMH1139 | Radix euphorbiae pekinensis | Jing Da Ji | 京大戟 |
| TCMH1493 | Euphorbia pekinensis | Mian Da Ji | 绵大戟 |
| TCMH1939 | Combretum indicum | Shi Jun Zi Ren | 使君子仁 |
| TCMH1943 | Punica granatum | Shi Liu | 石榴 |
| TCMH1944 | Punica granatum | Shi Liu Pi | 石榴皮 |
| TCMH1945 | Punica granatum | Shi Liu Zi | 石榴子 |
| TCMH2050 | Punica granatum | Suan Shi Liu | 酸石榴 |
| TCMH371 | Radix euphorbiae pekinensis | Da Ji | 大戟 |
Showing 1 to 9 of 9 entries
Ingredient ID: TCMC166
Formula: C15H12O4
Ingredient ID: TCMC166
| Common Name | (R)-Pinocembrin |
| IUPAC Name | (2R)-5,7-dihydroxy-2-phenyl-2,3-dihydrochromen-4-one |
| Canonical SMILES | Oc1cc2O[C@H](CC(=O)c2c(c1)O)c1ccccc1 |
| Standard InCHI | InChI=1S/C15H12O4/c16-10-6-11(17)15-12(18)8-13(19-14(15)7-10)9-4-2-1-3-5-9/h1-7,13,16-17H,8H2/t13-/m1/s1 |
| Standard InCHIKey | URFCJEUYXNAHFI-CYBMUJFWSA-N |
| External Identifiers | ChEMBL [CHEMBL399249]; PubChem [667544]; |
| Reference of Component-Ingredient Pair | N/A |
Occurrence of the ingredient across TCM components
| Component ID | Latin Name | Pinyin Name | Chinese Name |
|---|---|---|---|
| TCMH1068 | Dalbergia odorifera | Jiang Xiang | 降香 |
| TCMH1437 | Rhododendron dauricum | Man Shan Hong | 满山红 |
| TCMH1475 | Glycyrrhiza uralensis | Mi Gan Cao | 蜜甘草 |
| TCMH1519 | Oroxylum indicum | Mu Hu Die | 木蝴蝶 |
| TCMH1899 | Glycyrrhiza uralensis | Sheng Gan Cao | 生甘草 |
| TCMH1943 | Punica granatum | Shi Liu | 石榴 |
| TCMH1944 | Punica granatum | Shi Liu Pi | 石榴皮 |
| TCMH1945 | Punica granatum | Shi Liu Zi | 石榴子 |
| TCMH2050 | Punica granatum | Suan Shi Liu | 酸石榴 |
| TCMH2135 | Glycyrrhiza uralensis | Tu Gan Cao | 土甘草 |
Showing 1 to 10 of 26 entries
Ingredient ID: TCMC1645
Formula: C17H12O8
Ingredient ID: TCMC1645
| Common Name | n.a. |
| IUPAC Name | n.a. |
| Canonical SMILES | COc1cc2c(=O)oc3c4c2c(c1OC)oc(=O)c4cc(c3O)OC |
| Standard InCHI | InChI=1S/C17H12O8/c1-21-8-4-6-10-11-7(16(19)24-14(10)12(8)18)5-9(22-2)13(23-3)15(11)25-17(6)20/h4-5,18H,1-3H3 |
| Standard InCHIKey | NDXSDWFOYZXARW-UHFFFAOYSA-N |
| External Identifiers | ChEMBL [CHEMBL2334354]; PubChem [11674590]; |
| Reference of Component-Ingredient Pair | N/A |
Occurrence of the ingredient across TCM components
Ingredient ID: TCMC1624
Formula: C34H24O22
Ingredient ID: TCMC1624
| Common Name | n.a. |
| IUPAC Name | n.a. |
| Canonical SMILES | O[C@@H]1COC(=O)c2cc(O)c(c(c2c2c(C(=O)O[C@H]1[C@@H]1OC(=O)c3cc(O)c(c(c3c3c4C(=O)O[C@H]1[C@@H](O)c4c(O)c(c3O)O)O)O)cc(O)c(c2O)O)O)O |
| Standard InCHI | InChI=1S/C34H24O22/c35-8-1-5-12(21(42)18(8)39)13-6(2-9(36)19(40)22(13)43)32(50)54-28(11(38)4-53-31(5)49)30-29-26(47)17-16(34(52)55-29)15(24(45)27(48)25(17)46)14-7(33(51)56-30)3-10(37)20(41)23(14)44/h1-3,11,26,28-30,35-48H,4H2/t11-,26+,28-,29+,30+/m1/s1 |
| Standard InCHIKey | CHBITXAMNKHJCR-VGYCLGPVSA-N |
| External Identifiers | ChEMBL [CHEMBL488110]; PubChem [10417809]; |
| Reference of Component-Ingredient Pair | N/A |
Occurrence of the ingredient across TCM components
| Component ID | Latin Name | Pinyin Name | Chinese Name |
|---|---|---|---|
| TCMH104 | Paeonia lactiflora | Bai Shao | 白芍 |
| TCMH105 | Paeonia lactiflora | Bai Shao Gan Jin Gao | 白芍干浸膏 |
| TCMH1121 | Cardiospermum halicacabum | Jin Si Ku Lian | 金丝苦楝 |
| TCMH1939 | Combretum indicum | Shi Jun Zi Ren | 使君子仁 |
| TCMH1943 | Punica granatum | Shi Liu | 石榴 |
| TCMH1944 | Punica granatum | Shi Liu Pi | 石榴皮 |
| TCMH1945 | Punica granatum | Shi Liu Zi | 石榴子 |
| TCMH2050 | Punica granatum | Suan Shi Liu | 酸石榴 |
| TCMH810 | Paeonia albiflora | Hang Shao | 杭芍 |
Showing 1 to 9 of 9 entries
Ingredient ID: TCMC1617
Formula: C34H22O22
Ingredient ID: TCMC1617
| Common Name | n.a. |
| IUPAC Name | n.a. |
| Canonical SMILES | OC1OC2COC(=O)c3cc(O)c(c(c3c3c(O)c(O)c4c5c3c(=O)oc3c(c(c(c6c(C(=O)OC2C(C1O)O)cc(O)c(c6O)O)c(c(=O)o4)c53)O)O)O)O |
| Standard InCHI | InChI=1S/C34H22O22/c35-6-1-4-9(19(39)17(6)37)11-15-13-14-16(33(50)56-28(13)23(43)21(11)41)12(22(42)24(44)29(14)55-32(15)49)10-5(2-7(36)18(38)20(10)40)31(48)54-27-8(3-52-30(4)47)53-34(51)26(46)25(27)45/h1-2,8,25-27,34-46,51H,3H2 |
| Standard InCHIKey | IQHIEHIKNWLKFB-UHFFFAOYSA-N |
| External Identifiers | ChEMBL [CHEMBL416615]; PubChem [5388496]; |
| Reference of Component-Ingredient Pair | N/A |
Occurrence of the ingredient across TCM components
| Component ID | Latin Name | Pinyin Name | Chinese Name |
|---|---|---|---|
| TCMH1943 | Punica granatum | Shi Liu | 石榴 |
| TCMH1944 | Punica granatum | Shi Liu Pi | 石榴皮 |
| TCMH1945 | Punica granatum | Shi Liu Zi | 石榴子 |
| TCMH2050 | Punica granatum | Suan Shi Liu | 酸石榴 |
| TCMH210 | Terminalia chebula | Cang Qing Guo | 藏青果 |
| TCMH826 | Terminalia chebula | He Zi | 诃子 |
| TCMH827 | Terminalia chebula | He Zi Rou | 诃子肉 |
Showing 1 to 7 of 7 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: TCMC1608
Formula: C10H16
Ingredient ID: TCMC1608
| Common Name | Myrcene |
| IUPAC Name | 7-methyl-3-methylideneocta-1,6-diene |
| Canonical SMILES | C=CC(=C)CCC=C(C)C |
| Standard InCHI | InChI=1S/C10H16/c1-5-10(4)8-6-7-9(2)3/h5,7H,1,4,6,8H2,2-3H3 |
| Standard InCHIKey | UAHWPYUMFXYFJY-UHFFFAOYSA-N |
| External Identifiers | ChEMBL [CHEMBL455491]; PubChem [31253]; |
| Reference of Component-Ingredient Pair | 22835693 |
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 |
| 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 |
| TCMH1114 | Herba glechomae longitubae | Jin Qian Cao | 金钱草 |
| TCMH1126 | Craibiodendron yunnanese | Jin Ye Zi | 金叶子 |
| TCMH114 | Platycladus orientalis | Bai Ye | 柏叶 |
| TCMH1141 | Schizonepeta tenuifolia | Jing Jie | 荆芥 |
| TCMH1142 | Schizonepetae spica | Jing Jie Sui | 荆芥穗 |
Showing 1 to 10 of 151 entries
Ingredient ID: TCMC1537
Formula: C30H48O4
Ingredient ID: TCMC1537
| Common Name | Maslinic Acid |
| IUPAC Name | (4aS,6aR,6aS,6bR,8aR,10R,11R,12aR,14bS)-10,11-dihydroxy-2,2,6a,6b,9,9,12a-heptamethyl-1,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropicene-4a-carboxylic acid |
| Canonical SMILES | O[C@@H]1C[C@@]2(C)[C@H](C([C@H]1O)(C)C)CC[C@@]1([C@@H]2CC=C2[C@@]1(C)CC[C@@]1([C@H]2CC(C)(C)CC1)C(=O)O)C |
| Standard InCHI | InChI=1S/C30H48O4/c1-25(2)12-14-30(24(33)34)15-13-28(6)18(19(30)16-25)8-9-22-27(5)17-20(31)23(32)26(3,4)21(27)10-11-29(22,28)7/h8,19-23,31-32H,9-17H2,1-7H3,(H,33,34)/t19-,20+,21-,22+,23-,27-,28+,29+,30-/m0/s1 |
| Standard InCHIKey | MDZKJHQSJHYOHJ-LLICELPBSA-N |
| External Identifiers | ChEMBL [CHEMBL201515]; PubChem [73659]; |
| Reference of Component-Ingredient Pair | 22816768 |
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 |
| 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 |
| TCMH1144 | Schizonepetae herba | Jing Jie Tan | 荆芥炭 |
| TCMH1175 | Cornus officinalis | Jiu Yu Rou | 酒萸肉 |
| TCMH1597 | Ligustrum lucidum | Nv Zhen Zi | 女贞子 |
| TCMH1615 | Eriobotrya japonica | Pi Ba Ren | 枇杷仁 |
| TCMH1854 | Crataegi folium | Shan Zha Ye | 山楂叶 |
| TCMH1862 | Cornus officinalis | Shan Zhu Yu | 山茱萸 |
Showing 1 to 10 of 25 entries
Ingredient ID: TCMC1535
Formula: C6H14O6
Ingredient ID: TCMC1535
| Common Name | Mannitol |
| IUPAC Name | (2R,3R,4R,5R)-hexane-1,2,3,4,5,6-hexol |
| Canonical SMILES | OC[C@H]([C@H]([C@@H]([C@@H](CO)O)O)O)O |
| Standard InCHI | InChI=1S/C6H14O6/c7-1-3(9)5(11)6(12)4(10)2-8/h3-12H,1-2H2/t3-,4-,5-,6-/m1/s1 |
| Standard InCHIKey | FBPFZTCFMRRESA-KVTDHHQDSA-N |
| External Identifiers | ChEMBL [CHEMBL689]; PubChem [6251]; |
| Reference of Component-Ingredient Pair | 29968805 |
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 |
| TCMH1033 | Centella asiatica | Ji Xue Cao | 积雪草 |
| TCMH1111 | Polygala glomerata | Jin Niu Cao | 金牛草 |
| TCMH1121 | Cardiospermum halicacabum | Jin Si Ku Lian | 金丝苦楝 |
| TCMH1155 | Allium tuberosum | Jiu Cai | 韭菜 |
| TCMH1176 | Allium tuberosum | Jiu Zi | 韭子 |
| TCMH1197 | Selaginella tamariscina | Juan Bai | 卷柏 |
| TCMH1226 | Laminaria japonica | Kun Bu | 昆布 |
| TCMH1285 | Orobanche coerulescens | Lie Dang | 列当 |
Showing 1 to 10 of 63 entries
Ingredient ID: TCMC1516
Formula: C15H10O6
Ingredient ID: TCMC1516
| Common Name | Luteolin |
| IUPAC Name | 2-(3,4-dihydroxyphenyl)-5,7-dihydroxychromen-4-one |
| Canonical SMILES | Oc1cc(O)c2c(c1)oc(cc2=O)c1ccc(c(c1)O)O |
| Standard InCHI | InChI=1S/C15H10O6/c16-8-4-11(19)15-12(20)6-13(21-14(15)5-8)7-1-2-9(17)10(18)3-7/h1-6,16-19H |
| Standard InCHIKey | IQPNAANSBPBGFQ-UHFFFAOYSA-N |
| External Identifiers | ChEMBL [CHEMBL151]; PubChem [5280445]; |
| Reference of Component-Ingredient Pair | 23122135 |
Occurrence of the ingredient across TCM components
| Component ID | Latin Name | Pinyin Name | Chinese Name |
|---|---|---|---|
| TCMH1005 | Cannabis sativa | Huo Ma Ren | 火麻仁 |
| TCMH1008 | Pogostemon cablin | Huo Xiang | 藿香 |
| TCMH1009 | Pogostemon cablin | Huo Xiang Ye | 藿香叶 |
| TCMH1022 | Celosia cristata | Ji Guan Hua | 鸡冠花 |
| TCMH108 | Perilla frutescens | Bai Su Zi | 白苏子 |
| TCMH1096 | Inula japonica | Jin Fei Cao | 金沸草 |
| TCMH1105 | Trollius chinensis | Jin Lian Hua | 金莲花 |
| TCMH1117 | Rhizoma fagopyri cymosi | Jin Qiao Mai | 金荞麦 |
| TCMH1121 | Cardiospermum halicacabum | Jin Si Ku Lian | 金丝苦楝 |
| TCMH1127 | Lonicera japonica | Jin Yin Hua | 金银花 |
Showing 1 to 10 of 140 entries
Ingredient ID: TCMC1515
Formula: C30H50O
Ingredient ID: TCMC1515
| Common Name | Lupeol |
| IUPAC Name | (1R,3aR,5aR,5bR,7aR,9S,11aR,11bR,13aR,13bR)-3a,5a,5b,8,8,11a-hexamethyl-1-prop-1-en-2-yl-1,2,3,4,5,6,7,7a,9,10,11,11b,12,13,13a,13b-hexadecahydrocyclopenta[a]chrysen-9-ol |
| Canonical SMILES | CC(=C)[C@@H]1CC[C@]2([C@H]1[C@H]1CC[C@H]3[C@@]([C@]1(C)CC2)(C)CC[C@@H]1[C@]3(C)CC[C@@H](C1(C)C)O)C |
| Standard InCHI | InChI=1S/C30H50O/c1-19(2)20-11-14-27(5)17-18-29(7)21(25(20)27)9-10-23-28(6)15-13-24(31)26(3,4)22(28)12-16-30(23,29)8/h20-25,31H,1,9-18H2,2-8H3/t20-,21+,22-,23+,24-,25+,27+,28-,29+,30+/m0/s1 |
| Standard InCHIKey | MQYXUWHLBZFQQO-QGTGJCAVSA-N |
| External Identifiers | ChEMBL [CHEMBL289191]; PubChem [259846]; |
| Reference of Component-Ingredient Pair | 22898386 |
Occurrence of the ingredient across TCM components
| Component ID | Latin Name | Pinyin Name | Chinese Name |
|---|---|---|---|
| TCMH1033 | Centella asiatica | Ji Xue Cao | 积雪草 |
| TCMH1096 | Inula japonica | Jin Fei Cao | 金沸草 |
| TCMH1121 | Cardiospermum halicacabum | Jin Si Ku Lian | 金丝苦楝 |
| TCMH1215 | Sophora flavescens | Ku Shen | 苦参 |
| TCMH123 | Pteris semipinnata | Ban Bian Qi | 半边旗 |
| TCMH1296 | Ganoderma lucidum | Ling Zhi Jin Gao | 灵芝浸膏 |
| TCMH1299 | Ganoderma lucidum | Ling Zhi(1) | 灵芝 |
| TCMH1396 | Portulaca oleracea | Ma Chi Xian | 马齿苋 |
| TCMH143 | Albizia julibrissin | Bei He Huan | 北合欢 |
| TCMH1431 | Vitex trifolia | Man Jing Ye | 蔓荆叶 |
Showing 1 to 10 of 60 entries
Ingredient ID: 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: TCMC1446
Formula: C21H20O11
Ingredient ID: TCMC1446
| Common Name | Kuromanin |
| IUPAC Name | (2S,3R,4S,5S,6R)-2-[2-(3,4-dihydroxyphenyl)-5,7-dihydroxychromenylium-3-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol |
| Canonical SMILES | OC[C@H]1O[C@@H](Oc2cc3c(O)cc(cc3[o+]c2c2ccc(c(c2)O)O)O)[C@@H]([C@H]([C@@H]1O)O)O |
| Standard InCHI | InChI=1S/C21H20O11/c22-7-16-17(27)18(28)19(29)21(32-16)31-15-6-10-12(25)4-9(23)5-14(10)30-20(15)8-1-2-11(24)13(26)3-8/h1-6,16-19,21-22,27-29H,7H2,(H3-,23,24,25,26)/p+1/t16-,17-,18+,19-,21-/m1/s1 |
| Standard InCHIKey | RKWHWFONKJEUEF-GQUPQBGVSA-O |
| External Identifiers | ChEMBL [CHEMBL257839]; PubChem [441667]; |
| Reference of Component-Ingredient Pair | 22247601 |
Occurrence of the ingredient across TCM components
| Component ID | Latin Name | Pinyin Name | Chinese Name |
|---|---|---|---|
| TCMH120 | Atractylodes macrocephala | Bai Zhu | 白术 |
| TCMH1446 | Vaccinium oxycoccos | Man Yue Mei | 蔓越莓 |
| TCMH1518 | Chaenomeles sinensis | Mu Gua | 木瓜 |
| TCMH1681 | Artemisia carvifolia | Qing Hao | 青蒿 |
| TCMH1682 | Artemisia carvifolia | Qing Hao Zi | 青蒿子 |
| TCMH1734 | Homo sapiens | Ren Zhong Bai | 人中白 |
| TCMH1943 | Punica granatum | Shi Liu | 石榴 |
| TCMH1944 | Punica granatum | Shi Liu Pi | 石榴皮 |
| TCMH1945 | Punica granatum | Shi Liu Zi | 石榴子 |
| TCMH2050 | Punica granatum | Suan Shi Liu | 酸石榴 |
Showing 1 to 10 of 17 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: TCMC13
Formula: C15H14O6
Ingredient ID: TCMC13
| Common Name | (-)-Epicatechin |
| IUPAC Name | (2R,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-UKRRQHHQSA-N |
| External Identifiers | ChEMBL [CHEMBL583912]; PubChem [72276]; |
| Reference of Component-Ingredient Pair | 23122145 |
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 |
| 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 |
| TCMH1165 | Murraya paniculata | Jiu Li Xiang | 九里香 |
| TCMH120 | Atractylodes macrocephala | Bai Zhu | 白术 |
Showing 1 to 10 of 104 entries
Ingredient ID: TCMC1269
Formula: C3H8O3
Ingredient ID: TCMC1269
| Common Name | Glycerin |
| IUPAC Name | propane-1,2,3-triol |
| Canonical SMILES | OCC(CO)O |
| Standard InCHI | InChI=1S/C3H8O3/c4-1-3(6)2-5/h3-6H,1-2H2 |
| Standard InCHIKey | PEDCQBHIVMGVHV-UHFFFAOYSA-N |
| External Identifiers | ChEMBL [CHEMBL692]; PubChem [753]; |
| Reference of Component-Ingredient Pair | 22851446 |
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 |
| TCMH1118 | Lygodium japonicum | Jin Sha Teng | 金沙藤 |
| TCMH1121 | Cardiospermum halicacabum | Jin Si Ku Lian | 金丝苦楝 |
| TCMH1343 | Aloe vera | Lu Hui | 芦荟 |
| TCMH1518 | Chaenomeles sinensis | Mu Gua | 木瓜 |
| TCMH1721 | Panax ginseng | Ren Shen | 人参 |
| TCMH1728 | Panax ginseng | Ren Shen Ye | 人参叶 |
| TCMH1734 | Homo sapiens | Ren Zhong Bai | 人中白 |
| TCMH1839 | Panax ginseng | Shan Shen | 山参 |
Showing 1 to 10 of 30 entries
Ingredient ID: TCMC1204
Formula: C15H14O7
Ingredient ID: TCMC1204
| Common Name | Gallocatechin |
| IUPAC Name | (2R,3S)-2-(3,4,5-trihydroxyphenyl)-3,4-dihydro-2H-chromene-3,5,7-triol |
| Canonical SMILES | Oc1cc2O[C@H](c3cc(O)c(c(c3)O)O)[C@H](Cc2c(c1)O)O |
| Standard InCHI | InChI=1S/C15H14O7/c16-7-3-9(17)8-5-12(20)15(22-13(8)4-7)6-1-10(18)14(21)11(19)2-6/h1-4,12,15-21H,5H2/t12-,15+/m0/s1 |
| Standard InCHIKey | XMOCLSLCDHWDHP-SWLSCSKDSA-N |
| External Identifiers | ChEMBL [CHEMBL125743]; PubChem [65084]; |
| Reference of Component-Ingredient Pair | 21110817 |
Occurrence of the ingredient across TCM components
| Component ID | Latin Name | Pinyin Name | Chinese Name |
|---|---|---|---|
| TCMH1367 | Apocynum venetum | Luo Bu Ma | 罗布麻 |
| TCMH1396 | Portulaca oleracea | Ma Chi Xian | 马齿苋 |
| TCMH1792 | Morus alba | Sang Pi | 桑皮 |
| TCMH1797 | Morus alba | Sang Ye | 桑叶 |
| TCMH1798 | Morus alba | Sang Zhi | 桑枝 |
| TCMH182 | Areca catechu | Bing Lang | 槟榔 |
| TCMH1856 | Gardenia jasminoides | Shan Zhi | 山栀 |
| TCMH1943 | Punica granatum | Shi Liu | 石榴 |
| TCMH1944 | Punica granatum | Shi Liu Pi | 石榴皮 |
| TCMH1945 | Punica granatum | Shi Liu Zi | 石榴子 |
Showing 1 to 10 of 21 entries
Ingredient ID: TCMC1203
Formula: C8H8O5
Ingredient ID: TCMC1203
| Common Name | Gallic Acid Methyl Ester |
| IUPAC Name | methyl 3,4,5-trihydroxybenzoate |
| Canonical SMILES | COC(=O)c1cc(O)c(c(c1)O)O |
| Standard InCHI | InChI=1S/C8H8O5/c1-13-8(12)4-2-5(9)7(11)6(10)3-4/h2-3,9-11H,1H3 |
| Standard InCHIKey | FBSFWRHWHYMIOG-UHFFFAOYSA-N |
| External Identifiers | ChEMBL [CHEMBL65675]; PubChem [7428]; |
| Reference of Component-Ingredient Pair | N/A |
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 |
| TCMH1175 | Cornus officinalis | Jiu Yu Rou | 酒萸肉 |
| TCMH1448 | Mangifera indica | Mang Guo Ye | 芒果叶 |
| TCMH1493 | Euphorbia pekinensis | Mian Da Ji | 绵大戟 |
| TCMH1632 | Taraxacum mongolicum | Pu Gong Ying | 蒲公英 |
| TCMH1633 | Taraxacum mongolicum | Pu Gong Ying Jin Gao | 蒲公英浸膏 |
| TCMH1862 | Cornus officinalis | Shan Zhu Yu | 山茱萸 |
| TCMH1865 | Paeonia obovata | Shao Yao | 芍药 |
| TCMH1943 | Punica granatum | Shi Liu | 石榴 |
| TCMH1944 | Punica granatum | Shi Liu Pi | 石榴皮 |
Showing 1 to 10 of 34 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: TCMC1192
Formula: C30H50O
Ingredient ID: TCMC1192
| Common Name | Friedeline |
| IUPAC Name | (4R,4aS,6aS,6aS,6bR,8aR,12aR,14aS,14bS)-4,4a,6a,6b,8a,11,11,14a-octamethyl-2,4,5,6,6a,7,8,9,10,12,12a,13,14,14b-tetradecahydro-1H-picen-3-one |
| Canonical SMILES | O=C1CC[C@@H]2[C@]([C@H]1C)(C)CC[C@H]1[C@@]2(C)CC[C@@]2([C@]1(C)CC[C@@]1([C@H]2CC(C)(C)CC1)C)C |
| Standard InCHI | InChI=1S/C30H50O/c1-20-21(31)9-10-22-27(20,5)12-11-23-28(22,6)16-18-30(8)24-19-25(2,3)13-14-26(24,4)15-17-29(23,30)7/h20,22-24H,9-19H2,1-8H3/t20-,22+,23-,24+,26+,27+,28-,29+,30-/m0/s1 |
| Standard InCHIKey | OFMXGFHWLZPCFL-SVRPQWSVSA-N |
| External Identifiers | ChEMBL [CHEMBL485998]; PubChem [91472]; |
| Reference of Component-Ingredient Pair | 20026015 |
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 |
| TCMH1039 | Kummerowia striata | Ji Yan Cao | 鸡眼草 |
| TCMH1121 | Cardiospermum halicacabum | Jin Si Ku Lian | 金丝苦楝 |
| TCMH1179 | Citri exocarpium rubrum | Ju Hong | 橘红 |
| TCMH1396 | Portulaca oleracea | Ma Chi Xian | 马齿苋 |
| TCMH1448 | Mangifera indica | Mang Guo Ye | 芒果叶 |
| TCMH1452 | Gerbera piloselloides | Mao Da Ding Cao | 毛大丁草 |
| TCMH1490 | Aster tataricus | Mi Zi Wan | 蜜紫菀 |
| TCMH1584 | Achyranthes bidentata | Niu Teng | 牛藤 |
Showing 1 to 10 of 45 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: TCMC1136
Formula: C18H22O2
Ingredient ID: TCMC1136
| Common Name | Estrone |
| IUPAC Name | (8R,9S,13S,14S)-3-hydroxy-13-methyl-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-17-one |
| Canonical SMILES | Oc1ccc2c(c1)CC[C@@H]1[C@@H]2CC[C@]2([C@H]1CCC2=O)C |
| Standard InCHI | InChI=1S/C18H22O2/c1-18-9-8-14-13-5-3-12(19)10-11(13)2-4-15(14)16(18)6-7-17(18)20/h3,5,10,14-16,19H,2,4,6-9H2,1H3/t14-,15-,16+,18+/m1/s1 |
| Standard InCHIKey | DNXHEGUUPJUMQT-CBZIJGRNSA-N |
| External Identifiers | ChEMBL [CHEMBL1405]; PubChem [5870]; |
| Reference of Component-Ingredient Pair | N/A |
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 |
| TCMH1351 | Colla cornus cervi | Lu Rong Jiao | 鹿茸胶 |
| TCMH1734 | Homo sapiens | Ren Zhong Bai | 人中白 |
| TCMH1943 | Punica granatum | Shi Liu | 石榴 |
| TCMH1944 | Punica granatum | Shi Liu Pi | 石榴皮 |
| TCMH1945 | Punica granatum | Shi Liu Zi | 石榴子 |
| TCMH2050 | Punica granatum | Suan Shi Liu | 酸石榴 |
| TCMH2293 | Phaseolus vulgaris | Xiao Hei Dou | 小黑豆 |
| TCMH2710 | Homo sapiens | Zi He Che | 紫河车 |
Showing 1 to 9 of 9 entries
Ingredient ID: TCMC1102
Formula: C14H6O8
Ingredient ID: TCMC1102
| Common Name | Ellagic Acid |
| IUPAC Name | n.a. |
| Canonical SMILES | Oc1cc2c(=O)oc3c4c2c(c1O)oc(=O)c4cc(c3O)O |
| Standard InCHI | InChI=1S/C14H6O8/c15-5-1-3-7-8-4(14(20)22-11(7)9(5)17)2-6(16)10(18)12(8)21-13(3)19/h1-2,15-18H |
| Standard InCHIKey | AFSDNFLWKVMVRB-UHFFFAOYSA-N |
| External Identifiers | ChEMBL [CHEMBL6246]; PubChem [5281855]; |
| Reference of Component-Ingredient Pair | 28153595 |
Occurrence of the ingredient across TCM components
| Component ID | Latin Name | Pinyin Name | Chinese Name |
|---|---|---|---|
| TCMH1033 | Centella asiatica | Ji Xue Cao | 积雪草 |
| TCMH1121 | Cardiospermum halicacabum | Jin Si Ku Lian | 金丝苦楝 |
| TCMH1132 | Radix rosae laevigatae | Jin Ying Gen | 金樱根 |
| 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 |
| TCMH1139 | Radix euphorbiae pekinensis | Jing Da Ji | 京大戟 |
| TCMH1165 | Murraya paniculata | Jiu Li Xiang | 九里香 |
| TCMH120 | Atractylodes macrocephala | Bai Zhu | 白术 |
| TCMH1247 | Geranium wilfordii | Lao Guan Cao | 老鹳草 |
Showing 1 to 10 of 64 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: TCMC1093
Formula: C27H46O2
Ingredient ID: TCMC1093
| Common Name | E309 |
| IUPAC Name | (2R)-2,8-dimethyl-2-[(4R,8R)-4,8,12-trimethyltridecyl]-3,4-dihydrochromen-6-ol |
| Canonical SMILES | C[C@@H](CCC[C@]1(C)CCc2c(O1)c(C)cc(c2)O)CCC[C@@H](CCCC(C)C)C |
| Standard InCHI | InChI=1S/C27H46O2/c1-20(2)10-7-11-21(3)12-8-13-22(4)14-9-16-27(6)17-15-24-19-25(28)18-23(5)26(24)29-27/h18-22,28H,7-17H2,1-6H3/t21-,22-,27-/m1/s1 |
| Standard InCHIKey | GZIFEOYASATJEH-VHFRWLAGSA-N |
| External Identifiers | ChEMBL [CHEMBL1451395]; PubChem [92094]; |
| Reference of Component-Ingredient Pair | 22639613 |
Occurrence of the ingredient across TCM components
| Component ID | Latin Name | Pinyin Name | Chinese Name |
|---|---|---|---|
| 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 |
| TCMH1239 | Raphanus sativus | Lai Fu | 莱菔 |
| TCMH1240 | Raphanus sativus | Lai Fu Zi | 莱菔子 |
| TCMH1714 | Lonicera japonica | Ren Dong Teng | 忍冬藤 |
| TCMH1734 | Homo sapiens | Ren Zhong Bai | 人中白 |
| TCMH1943 | Punica granatum | Shi Liu | 石榴 |
| TCMH1944 | Punica granatum | Shi Liu Pi | 石榴皮 |
| TCMH1945 | Punica granatum | Shi Liu Zi | 石榴子 |
Showing 1 to 10 of 18 entries
Ingredient ID: TCMC1004
Formula: C15H10O7
Ingredient ID: TCMC1004
| Common Name | Delphinidin |
| IUPAC Name | 2-(3,4,5-trihydroxyphenyl)chromenylium-3,5,7-triol |
| Canonical SMILES | Oc1cc(O)c2c(c1)[o+]c(c(c2)O)c1cc(O)c(c(c1)O)O |
| Standard InCHI | InChI=1S/C15H10O7/c16-7-3-9(17)8-5-12(20)15(22-13(8)4-7)6-1-10(18)14(21)11(19)2-6/h1-5H,(H5-,16,17,18,19,20,21)/p+1 |
| Standard InCHIKey | JKHRCGUTYDNCLE-UHFFFAOYSA-O |
| External Identifiers | ChEMBL [CHEMBL276780]; PubChem [128853]; |
| Reference of Component-Ingredient Pair | 22458550 |
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 |
| TCMH1943 | Punica granatum | Shi Liu | 石榴 |
| TCMH1944 | Punica granatum | Shi Liu Pi | 石榴皮 |
| TCMH1945 | Punica granatum | Shi Liu Zi | 石榴子 |
| TCMH2050 | Punica granatum | Suan Shi Liu | 酸石榴 |
| TCMH231 | Litsea rotundifolia | Chai Pi Zhang | 豺皮樟 |
| TCMH970 | Vitex negundo | Huang Jing Zi | 黄荆子 |
Showing 1 to 7 of 7 entries
Properties
| Ingredient ID | Formulae | Name | MW | AlogP | MlogP | XlogP | # HBA | # HBD | PSA | # Rotatable Bond | # Ring | # Heacy Atom | Lipinski RO5 Violation |
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| TCMC1004 | C15H10O7 | Delphinidin | 304.06 | -2.7618 | 2.34 | 0.208 | 1 | 7 | 121.38 | 7 | 3 | 22 | 1 |
| TCMC1093 | C27H46O2 | E309 | 402.35 | 2.0095 | 4.21 | 10.714 | 0 | 1 | 29.46 | 19 | 2 | 29 | 2 |
| TCMC1100 | C20H40O2 | Elcosanoic Acid | 312.3 | -5.0497 | 3.44 | 9.846 | 2 | 1 | 37.3 | 20 | 0 | 22 | 2 |
| TCMC1102 | C14H6O8 | Ellagic Acid | 302.01 | -2.0234 | 2.12 | -0.046 | 2 | 4 | 133.52 | 4 | 4 | 22 | 0 |
| TCMC1136 | C18H22O2 | Estrone | 270.16 | 0.0998 | 3.22 | 4.039 | 1 | 1 | 37.3 | 2 | 4 | 20 | 0 |
| TCMC1173 | C10H10O4 | Ferulic Acid | 194.06 | -0.3908 | 2.12 | 1.231 | 2 | 2 | 66.76 | 6 | 1 | 14 | 0 |
| TCMC1192 | C30H50O | Friedeline | 426.39 | 3.2175 | 4.65 | 12.613 | 1 | 0 | 17.07 | 8 | 5 | 31 | 1 |
| TCMC1202 | C7H6O5 | Gallic Acid | 170.02 | -1.6207 | 1.68 | 0.002 | 2 | 4 | 97.99 | 5 | 1 | 12 | 0 |
| TCMC1203 | C8H8O5 | Gallic Acid Methyl Ester | 184.04 | -1.3697 | 1.79 | 0.323 | 2 | 3 | 86.99 | 6 | 1 | 13 | 0 |
| TCMC1204 | C15H14O7 | Gallocatechin | 306.07 | -2.9543 | 2.34 | -0.128 | 1 | 6 | 130.61 | 7 | 3 | 22 | 1 |
Showing 1 to 10 of 95 entries
Download Data
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