Description of the Component
Component ID |
TCMH298 |
Latin Name |
Andrographis paniculata |
English Name |
Common andrographis |
Chinese Pinyin Name |
Chuan Xin Lian |
中文名 |
穿心莲 |
TCM Properties |
Cold,Bitter |
TCM Meridians |
Lung,Large Intestine,Stomach,Small Intestine |
Therapeutic Class English |
Heat clearence |
Therapeutic Class Chinese |
清热 |
Functions |
clear heat and release toxins, dry dampness |
Toxicity |
NA |
Geo-authentic habitats (道地产区) |
Fujian Province |
Reference |
Chinese Pharmacopoeia (2015) |
Barcode ID |
ITSAO3492-14 |
Barcode Source |
BOLDSYSTEMS |
TCM Prescriptions with the Component
| Prescription ID | Prescription English Name | Prescription Chinese Name |
|---|---|---|
| TCMF1022 | Xiao Yan Zhi Ke Tablet | 消炎止咳片 |
| TCMF1023 | Xiao Yan Zhi Tong Ointment | 消炎止痛膏 |
| TCMF1071 | Kang Fu Xiao Yan Suppository | 康妇消炎栓 |
| TCMF1082 | Qing Huo Zhi Mai Tablet | 清火栀麦片 |
| TCMF3563 | Fu Fang Hong Gen Cao Tablets | 复方红根草片 |
| TCMF3593 | Fu Fang Huang Qin Tablets | 复方黄芩片 |
| TCMF4901 | Kang Fu Xiao Yan Shuan | 康妇消炎栓 |
| TCMF5287 | Qing Huo Wei Mai Capsules | 清火桅麦胶囊 |
| TCMF5294 | Qing Huo Zhi Mai Capsules | 清火栀麦胶囊 |
| TCMF5302 | Qing Huo Zhi Mai Tablets | 清火栀麦片 |
Showing 1 to 10 of 57 entries
Targeted Human Proteins by the Ingredient of Component
| Target ID | Gene Symbol | Target Name | Target Class | Uniprot ID |
|---|---|---|---|---|
| TCMT1 | EHMT2 | Histone-lysine N-methyltransferase, H3 lysine-9 specific 3 | Transferase | Q96KQ7 |
| TCMT100 | TTR | Transthyretin | Unclassified | P02766 |
| TCMT101 | PTPN1 | Protein-tyrosine phosphatase 1B | Hydrolase | P18031 |
| TCMT103 | PTPRF | Receptor-type tyrosine-protein phosphatase F (LAR) | Hydrolase | P10586 |
| TCMT11 | HIF1A | Hypoxia-inducible factor 1 alpha | Transcription factor | Q16665 |
| TCMT125 | GBA | Beta-glucocerebrosidase | Hydrolase | P04062 |
| TCMT126 | TERT | Telomerase reverse transcriptase | Transferase | O14746 |
| TCMT127 | PARP1 | Poly [ADP-ribose] polymerase-1 | Transferase | P09874 |
| TCMT128 | TNKS2 | Tankyrase-2 | Transferase | Q9H2K2 |
| TCMT129 | TNKS | Tankyrase-1 | Transferase | O95271 |
Showing 1 to 10 of 110 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 |
| TCMT1108 | Integrase |
| TCMT1121 | Sialidase |
| TCMT1170 | Enterobacter cloacae |
| TCMT1189 | Pseudomonas fluorescens |
| TCMT1212 | Verticillium dahliae |
Showing 1 to 10 of 37 entries
Ingredient Structrues
Ingredient ID: TCMC897
Formula: C16H18O9
Ingredient ID: TCMC897
| Common Name | Chlorogenic Acid |
| IUPAC Name | (1S,3R,4R,5R)-3-[(E)-3-(3,4-dihydroxyphenyl)prop-2-enoyl]oxy-1,4,5-trihydroxycyclohexane-1-carboxylic acid |
| Canonical SMILES | O=C(O[C@@H]1C[C@@](O)(C[C@H]([C@H]1O)O)C(=O)O)/C=C/c1ccc(c(c1)O)O |
| Standard InCHI | InChI=1S/C16H18O9/c17-9-3-1-8(5-10(9)18)2-4-13(20)25-12-7-16(24,15(22)23)6-11(19)14(12)21/h1-5,11-12,14,17-19,21,24H,6-7H2,(H,22,23)/b4-2+/t11-,12-,14-,16+/m1/s1 |
| Standard InCHIKey | CWVRJTMFETXNAD-JUHZACGLSA-N |
| External Identifiers | ChEMBL [CHEMBL284616]; PubChem [1794427]; |
| Reference of Component-Ingredient Pair | 29136249 |
Occurrence of the ingredient across TCM components
| Component ID | Latin Name | Pinyin Name | Chinese Name |
|---|---|---|---|
| TCMH1000 | Foeniculum vulgare | Hui Xiang | 茴香 |
| TCMH1008 | Pogostemon cablin | Huo Xiang | 藿香 |
| TCMH1009 | Pogostemon cablin | Huo Xiang Ye | 藿香叶 |
| TCMH1011 | Sargentodoxa cuneata | Huo Xue Teng | 活血藤 |
| TCMH1025 | Loropetalum chinense | Ji Mu Ye Jin Gao | 继木叶浸膏 |
| TCMH1033 | Centella asiatica | Ji Xue Cao | 积雪草 |
| TCMH1064 | Coptis chinensis | Jiang Huang Lian | 姜黄连 |
| TCMH108 | Perilla frutescens | Bai Su Zi | 白苏子 |
| TCMH1096 | Inula japonica | Jin Fei Cao | 金沸草 |
| TCMH1127 | Lonicera japonica | Jin Yin Hua | 金银花 |
Showing 1 to 10 of 197 entries
Ingredient ID: TCMC847
Formula: C9H8O4
Ingredient ID: TCMC847
| Common Name | Caffeic Acid |
| IUPAC Name | (E)-3-(3,4-dihydroxyphenyl)prop-2-enoic acid |
| Canonical SMILES | OC(=O)/C=C/c1ccc(c(c1)O)O |
| Standard InCHI | InChI=1S/C9H8O4/c10-7-3-1-6(5-8(7)11)2-4-9(12)13/h1-5,10-11H,(H,12,13)/b4-2+ |
| Standard InCHIKey | QAIPRVGONGVQAS-DUXPYHPUSA-N |
| External Identifiers | ChEMBL [CHEMBL145]; PubChem [689043]; |
| Reference of Component-Ingredient Pair | 25130191 |
Occurrence of the ingredient across TCM components
| Component ID | Latin Name | Pinyin Name | Chinese Name |
|---|---|---|---|
| TCMH1008 | Pogostemon cablin | Huo Xiang | 藿香 |
| TCMH1009 | Pogostemon cablin | Huo Xiang Ye | 藿香叶 |
| TCMH101 | Chelidonium majus | Bai Qu Cai | 白屈菜 |
| TCMH1033 | Centella asiatica | Ji Xue Cao | 积雪草 |
| TCMH108 | Perilla frutescens | Bai Su Zi | 白苏子 |
| TCMH1090 | Brassica juncea | Jie Zi | 芥子 |
| TCMH1096 | Inula japonica | Jin Fei Cao | 金沸草 |
| TCMH1099 | Gymnema sylvestre | Jin Gang Teng | 金刚藤 |
| TCMH1100 | Gymnema sylvestre | Jin Gang Tou | 金刚头 |
| TCMH1127 | Lonicera japonica | Jin Yin Hua | 金银花 |
Showing 1 to 10 of 177 entries
Ingredient ID: TCMC7107
Formula: C15H18O5
Ingredient ID: TCMC7107
| Common Name | Paniculide C |
| IUPAC Name | (1aS,2aS,6aR)-1a-(hydroxymethyl)-5-(4-methylpent-3-enyl)-2a,6a-dihydro-2H-oxireno[2,3-f][1]benzofuran-4,6-dione |
| Canonical SMILES | OC[C@]12C[C@@H]3OC(=O)C(=C3C(=O)[C@@H]2O1)CCC=C(C)C |
| Standard InCHI | InChI=1S/C15H18O5/c1-8(2)4-3-5-9-11-10(19-14(9)18)6-15(7-16)13(20-15)12(11)17/h4,10,13,16H,3,5-7H2,1-2H3/t10-,13-,15-/m0/s1 |
| Standard InCHIKey | KOAZVDFZCVBRBA-XEGUGMAKSA-N |
| External Identifiers | ChEMBL [N/A]; PubChem [101289824]; |
| Reference of Component-Ingredient Pair | N/A |
Occurrence of the ingredient across TCM components
Ingredient ID: TCMC7106
Formula: C15H20O5
Ingredient ID: TCMC7106
| Common Name | Paniculide B |
| IUPAC Name | (1aS,2aS,6S,6aS)-6-hydroxy-1a-(hydroxymethyl)-5-(4-methylpent-3-enyl)-2,2a,6,6a-tetrahydrooxireno[2,3-f][1]benzofuran-4-one |
| Canonical SMILES | OC[C@]12C[C@@H]3OC(=O)C(=C3[C@@H]([C@@H]2O1)O)CCC=C(C)C |
| Standard InCHI | InChI=1S/C15H20O5/c1-8(2)4-3-5-9-11-10(19-14(9)18)6-15(7-16)13(20-15)12(11)17/h4,10,12-13,16-17H,3,5-7H2,1-2H3/t10-,12-,13-,15-/m0/s1 |
| Standard InCHIKey | LQGGFVAMWSRTCC-NHULGOKLSA-N |
| External Identifiers | ChEMBL [N/A]; PubChem [101289823]; |
| Reference of Component-Ingredient Pair | N/A |
Occurrence of the ingredient across TCM components
Ingredient ID: TCMC710
Formula: C15H10O5
Ingredient ID: TCMC710
| Common Name | Apigenin |
| IUPAC Name | 5,7-dihydroxy-2-(4-hydroxyphenyl)chromen-4-one |
| Canonical SMILES | Oc1ccc(cc1)c1cc(=O)c2c(o1)cc(cc2O)O |
| Standard InCHI | InChI=1S/C15H10O5/c16-9-3-1-8(2-4-9)13-7-12(19)15-11(18)5-10(17)6-14(15)20-13/h1-7,16-18H |
| Standard InCHIKey | KZNIFHPLKGYRTM-UHFFFAOYSA-N |
| External Identifiers | ChEMBL [CHEMBL28]; PubChem [5280443]; |
| Reference of Component-Ingredient Pair | 29162470 |
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 |
| 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 |
| TCMH1105 | Trollius chinensis | Jin Lian Hua | 金莲花 |
| TCMH1127 | Lonicera japonica | Jin Yin Hua | 金银花 |
Showing 1 to 10 of 159 entries
Ingredient ID: TCMC7025
Formula: C22H22O10
Ingredient ID: TCMC7025
| Common Name | Echioidinin-5-O-Β-D-Glucopyranoside |
| IUPAC Name | 2-(2-hydroxyphenyl)-7-methoxy-5-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxychromen-4-one |
| Canonical SMILES | OC[C@H]1O[C@@H](Oc2cc(OC)cc3c2c(=O)cc(o3)c2ccccc2O)[C@@H]([C@H]([C@@H]1O)O)O |
| Standard InCHI | InChI=1S/C22H22O10/c1-29-10-6-15-18(13(25)8-14(30-15)11-4-2-3-5-12(11)24)16(7-10)31-22-21(28)20(27)19(26)17(9-23)32-22/h2-8,17,19-24,26-28H,9H2,1H3/t17-,19-,20+,21-,22-/m1/s1 |
| Standard InCHIKey | KDNHFIDMSOTHOV-MIUGBVLSSA-N |
| External Identifiers | ChEMBL [N/A]; PubChem [100929637]; |
| Reference of Component-Ingredient Pair | N/A |
Occurrence of the ingredient across TCM components
Ingredient ID: TCMC690
Formula: C20H30O5
Ingredient ID: TCMC690
| Common Name | Andrographolide |
| IUPAC Name | (3E,4S)-3-[2-[(1R,4aS,5R,6R,8aS)-6-hydroxy-5-(hydroxymethyl)-5,8a-dimethyl-2-methylidene-3,4,4a,6,7,8-hexahydro-1H-naphthalen-1-yl]ethylidene]-4-hydroxyoxolan-2-one |
| Canonical SMILES | OC[C@]1(C)[C@H](O)CC[C@@]2([C@@H]1CCC(=C)[C@H]2C/C=C/1[C@H](O)COC1=O)C |
| Standard InCHI | InChI=1S/C20H30O5/c1-12-4-7-16-19(2,9-8-17(23)20(16,3)11-21)14(12)6-5-13-15(22)10-25-18(13)24/h5,14-17,21-23H,1,4,6-11H2,2-3H3/b13-5+/t14-,15-,16+,17-,19+,20+/m1/s1 |
| Standard InCHIKey | BOJKULTULYSRAS-OTESTREVSA-N |
| External Identifiers | ChEMBL [CHEMBL186141]; PubChem [5318517]; |
| Reference of Component-Ingredient Pair | 29355602 |
Occurrence of the ingredient across TCM components
| Component ID | Latin Name | Pinyin Name | Chinese Name |
|---|---|---|---|
| TCMH1275 | Nelumbo nucifera | Lian Zi | 莲子 |
| TCMH1276 | Nelumbo nucifera | Lian Zi Xin | 莲子心 |
| TCMH1598 | Nelumbo nucifera | Ou | 藕 |
| TCMH1599 | Nelumbo nucifera | Ou Fen | 藕粉 |
| TCMH1601 | Nelumbo nucifera | Ou Pian | 藕片 |
| TCMH298 | Andrographis paniculata | Chuan Xin Lian | 穿心莲 |
| TCMH299 | Andrographis paniculata | Chuan Xin Lian Gan Jin Gao | 穿心莲干浸膏 |
| TCMH300 | Andrographis paniculata | Chuan Xin Lian Jin Gao | 穿心莲浸膏 |
| TCMH302 | Andrographis paniculata | Chuan Xin Lian Nong Suo Ye | 穿心莲浓缩液 |
| TCMH814 | Nelumbo nucifera | He Geng | 荷梗 |
Showing 1 to 10 of 11 entries
Ingredient ID: TCMC6734
Formula: C26H40O10
Ingredient ID: TCMC6734
| Common Name | Andrographiside |
| IUPAC Name | (3E,4S)-3-[2-[(1R,4aS,5R,6R,8aS)-6-hydroxy-5,8a-dimethyl-2-methylidene-5-[[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]-3,4,4a,6,7,8-hexahydro-1H-naphthalen-1-yl]ethylidene]-4-hydroxyoxolan-2-one |
| Canonical SMILES | OC[C@H]1O[C@@H](OC[C@]2(C)[C@H](O)CC[C@@]3([C@@H]2CCC(=C)[C@H]3C/C=C/2[C@H](O)COC2=O)C)[C@@H]([C@H]([C@@H]1O)O)O |
| Standard InCHI | InChI=1S/C26H40O10/c1-13-4-7-18-25(2,15(13)6-5-14-16(28)11-34-23(14)33)9-8-19(29)26(18,3)12-35-24-22(32)21(31)20(30)17(10-27)36-24/h5,15-22,24,27-32H,1,4,6-12H2,2-3H3/b14-5+/t15-,16-,17-,18+,19-,20-,21+,22-,24-,25+,26+/m1/s1 |
| Standard InCHIKey | VUEPOIYXKZTLMD-ANZZXSATSA-N |
| External Identifiers | ChEMBL [CHEMBL519275]; PubChem [44593583]; |
| Reference of Component-Ingredient Pair | 12528514 |
Occurrence of the ingredient across TCM components
Ingredient ID: TCMC6724
Formula: C20H28O4
Ingredient ID: TCMC6724
| Common Name | 3-Dehydrodeoxyandrographolide |
| IUPAC Name | 4-[2-[(1R,4aS,5R,8aS)-5-(hydroxymethyl)-5,8a-dimethyl-2-methylidene-6-oxo-1,3,4,4a,7,8-hexahydronaphthalen-1-yl]ethyl]-2H-furan-5-one |
| Canonical SMILES | OC[C@]1(C)C(=O)CC[C@@]2([C@@H]1CCC(=C)[C@H]2CCC1=CCOC1=O)C |
| Standard InCHI | InChI=1S/C20H28O4/c1-13-4-7-16-19(2,10-8-17(22)20(16,3)12-21)15(13)6-5-14-9-11-24-18(14)23/h9,15-16,21H,1,4-8,10-12H2,2-3H3/t15-,16+,19+,20+/m1/s1 |
| Standard InCHIKey | ROPZFDGMJDAXOR-LPWQTFTOSA-N |
| External Identifiers | ChEMBL [CHEMBL511890]; PubChem [44577190]; |
| Reference of Component-Ingredient Pair | N/A |
Occurrence of the ingredient across TCM components
Ingredient ID: TCMC6054
Formula: C23H26O10
Ingredient ID: TCMC6054
| Common Name | Andrographidine A |
| IUPAC Name | (2S)-7,8-dimethoxy-2-phenyl-5-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-2,3-dihydrochromen-4-one |
| Canonical SMILES | OC[C@H]1O[C@@H](Oc2cc(OC)c(c3c2C(=O)C[C@H](O3)c2ccccc2)OC)[C@@H]([C@H]([C@@H]1O)O)O |
| Standard InCHI | InChI=1S/C23H26O10/c1-29-15-9-14(32-23-20(28)19(27)18(26)16(10-24)33-23)17-12(25)8-13(11-6-4-3-5-7-11)31-22(17)21(15)30-2/h3-7,9,13,16,18-20,23-24,26-28H,8,10H2,1-2H3/t13-,16+,18+,19-,20+,23+/m0/s1 |
| Standard InCHIKey | HTJQSWAVTHDBPX-PHKHNSMASA-N |
| External Identifiers | ChEMBL [N/A]; PubChem [13963762]; |
| Reference of Component-Ingredient Pair | 21626787 |
Occurrence of the ingredient across TCM components
Ingredient ID: TCMC5877
Formula: C18H16O6
Ingredient ID: TCMC5877
| Common Name | 5-Hydroxy-7,2',3'-Trimethoxyflavone |
| IUPAC Name | 2-(2,3-dimethoxyphenyl)-5-hydroxy-7-methoxychromen-4-one |
| Canonical SMILES | COc1cc(O)c2c(c1)oc(cc2=O)c1cccc(c1OC)OC |
| Standard InCHI | InChI=1S/C18H16O6/c1-21-10-7-12(19)17-13(20)9-15(24-16(17)8-10)11-5-4-6-14(22-2)18(11)23-3/h4-9,19H,1-3H3 |
| Standard InCHIKey | UQCFFWBHEHCUQF-UHFFFAOYSA-N |
| External Identifiers | ChEMBL [N/A]; PubChem [12135219]; |
| Reference of Component-Ingredient Pair | 15381002 |
Occurrence of the ingredient across TCM components
Ingredient ID: TCMC5876
Formula: C19H20O6
Ingredient ID: TCMC5876
| Common Name | (2S)-5,7,2',3'-Tetramethoxyflavanone |
| IUPAC Name | (2S)-2-(2,3-dimethoxyphenyl)-5,7-dimethoxy-2,3-dihydrochromen-4-one |
| Canonical SMILES | COc1cc2O[C@@H](CC(=O)c2c(c1)OC)c1cccc(c1OC)OC |
| Standard InCHI | InChI=1S/C19H20O6/c1-21-11-8-16(23-3)18-13(20)10-15(25-17(18)9-11)12-6-5-7-14(22-2)19(12)24-4/h5-9,15H,10H2,1-4H3/t15-/m0/s1 |
| Standard InCHIKey | LISGXNMNBMLGFM-HNNXBMFYSA-N |
| External Identifiers | ChEMBL [N/A]; PubChem [12135218]; |
| Reference of Component-Ingredient Pair | 15381002 |
Occurrence of the ingredient across TCM components
Ingredient ID: TCMC5848
Formula: C25H28O12
Ingredient ID: TCMC5848
| Common Name | Andrographidine D |
| IUPAC Name | 2-(2,3-dimethoxyphenyl)-7,8-dimethoxy-5-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxychromen-4-one |
| Canonical SMILES | OC[C@H]1O[C@@H](Oc2cc(OC)c(c3c2c(=O)cc(o3)c2cccc(c2OC)OC)OC)[C@@H]([C@H]([C@@H]1O)O)O |
| Standard InCHI | InChI=1S/C25H28O12/c1-31-13-7-5-6-11(22(13)33-3)14-8-12(27)18-15(9-16(32-2)23(34-4)24(18)35-14)36-25-21(30)20(29)19(28)17(10-26)37-25/h5-9,17,19-21,25-26,28-30H,10H2,1-4H3/t17-,19-,20+,21-,25-/m1/s1 |
| Standard InCHIKey | PPQXLPYIRAWACL-PKPXASJOSA-N |
| External Identifiers | ChEMBL [N/A]; PubChem [11972378]; |
| Reference of Component-Ingredient Pair | N/A |
Occurrence of the ingredient across TCM components
Ingredient ID: TCMC5830
Formula: C23H24O12
Ingredient ID: TCMC5830
| Common Name | Andrographidine B |
| IUPAC Name | 5-hydroxy-2-[2-hydroxy-3-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]-7,8-dimethoxychromen-4-one |
| Canonical SMILES | OC[C@H]1O[C@@H](Oc2cccc(c2O)c2cc(=O)c3c(o2)c(OC)c(cc3O)OC)[C@@H]([C@H]([C@@H]1O)O)O |
| Standard InCHI | InChI=1S/C23H24O12/c1-31-14-7-11(26)16-10(25)6-13(33-22(16)21(14)32-2)9-4-3-5-12(17(9)27)34-23-20(30)19(29)18(28)15(8-24)35-23/h3-7,15,18-20,23-24,26-30H,8H2,1-2H3/t15-,18-,19+,20-,23-/m1/s1 |
| Standard InCHIKey | JCUIPEIMZRLNKQ-BSTKLLGTSA-N |
| External Identifiers | ChEMBL [N/A]; PubChem [11968627]; |
| Reference of Component-Ingredient Pair | N/A |
Occurrence of the ingredient across TCM components
Ingredient ID: TCMC5808
Formula: C15H20O4
Ingredient ID: TCMC5808
| Common Name | Paniculide A |
| IUPAC Name | (1aR,2aS,6S,6aS)-6-hydroxy-1a-methyl-5-(4-methylpent-3-enyl)-2,2a,6,6a-tetrahydrooxireno[2,3-f][1]benzofuran-4-one |
| Canonical SMILES | CC(=CCCC1=C2[C@@H](OC1=O)C[C@@]1([C@H]([C@H]2O)O1)C)C |
| Standard InCHI | InChI=1S/C15H20O4/c1-8(2)5-4-6-9-11-10(18-14(9)17)7-15(3)13(19-15)12(11)16/h5,10,12-13,16H,4,6-7H2,1-3H3/t10-,12-,13-,15+/m0/s1 |
| Standard InCHIKey | TVGBYMMWMJGHSY-GZCFXPHUSA-N |
| External Identifiers | ChEMBL [N/A]; PubChem [11821485]; |
| Reference of Component-Ingredient Pair | 15381002 |
Occurrence of the ingredient across TCM components
Ingredient ID: TCMC5754
Formula: C20H30O3
Ingredient ID: TCMC5754
| Common Name | Andrograpanin |
| IUPAC Name | 4-[2-[(1R,4aS,5R,8aS)-5-(hydroxymethyl)-5,8a-dimethyl-2-methylidene-3,4,4a,6,7,8-hexahydro-1H-naphthalen-1-yl]ethyl]-2H-furan-5-one |
| Canonical SMILES | OC[C@]1(C)CCC[C@@]2([C@@H]1CCC(=C)[C@H]2CCC1=CCOC1=O)C |
| Standard InCHI | InChI=1S/C20H30O3/c1-14-5-8-17-19(2,13-21)10-4-11-20(17,3)16(14)7-6-15-9-12-23-18(15)22/h9,16-17,21H,1,4-8,10-13H2,2-3H3/t16-,17-,19+,20+/m1/s1 |
| Standard InCHIKey | WKKBRRFSRMDTJB-JYBIWHBTSA-N |
| External Identifiers | ChEMBL [CHEMBL518137]; PubChem [11666871]; |
| Reference of Component-Ingredient Pair | 18486905 |
Occurrence of the ingredient across TCM components
Ingredient ID: TCMC5739
Formula: C20H30O4
Ingredient ID: TCMC5739
| Common Name | Deoxyandrographolide |
| IUPAC Name | 4-[2-[(1R,4aS,5R,6R,8aS)-6-hydroxy-5-(hydroxymethyl)-5,8a-dimethyl-2-methylidene-3,4,4a,6,7,8-hexahydro-1H-naphthalen-1-yl]ethyl]-2H-furan-5-one |
| Canonical SMILES | OC[C@]1(C)[C@H](O)CC[C@@]2([C@@H]1CCC(=C)[C@H]2CCC1=CCOC1=O)C |
| Standard InCHI | InChI=1S/C20H30O4/c1-13-4-7-16-19(2,10-8-17(22)20(16,3)12-21)15(13)6-5-14-9-11-24-18(14)23/h9,15-17,21-22H,1,4-8,10-12H2,2-3H3/t15-,16+,17-,19+,20+/m1/s1 |
| Standard InCHIKey | GVRNTWSGBWPJGS-YSDSKTICSA-N |
| External Identifiers | ChEMBL [CHEMBL415768]; PubChem [11624161]; |
| Reference of Component-Ingredient Pair | 25470974 |
Occurrence of the ingredient across TCM components
Ingredient ID: TCMC5529
Formula: C18H16O6
Ingredient ID: TCMC5529
| Common Name | 5-Hydroxy-7,2',5'-Trimethoxyflavone |
| IUPAC Name | 2-(2,5-dimethoxyphenyl)-5-hydroxy-7-methoxychromen-4-one |
| Canonical SMILES | COc1ccc(c(c1)c1cc(=O)c2c(o1)cc(cc2O)OC)OC |
| Standard InCHI | InChI=1S/C18H16O6/c1-21-10-4-5-15(23-3)12(6-10)16-9-14(20)18-13(19)7-11(22-2)8-17(18)24-16/h4-9,19H,1-3H3 |
| Standard InCHIKey | NDJRQOXSFHAYMY-UHFFFAOYSA-N |
| External Identifiers | ChEMBL [N/A]; PubChem [10914422]; |
| Reference of Component-Ingredient Pair | 12843595 |
Occurrence of the ingredient across TCM components
Ingredient ID: TCMC5503
Formula: C21H24O7
Ingredient ID: TCMC5503
| Common Name | 2,3,4,2',4',6'-Hexamethoxychalcone |
| IUPAC Name | (E)-3-(2,3,4-trimethoxyphenyl)-1-(2,4,6-trimethoxyphenyl)prop-2-en-1-one |
| Canonical SMILES | COc1cc(OC)c(c(c1)OC)C(=O)/C=C/c1ccc(c(c1OC)OC)OC |
| Standard InCHI | InChI=1S/C21H24O7/c1-23-14-11-17(25-3)19(18(12-14)26-4)15(22)9-7-13-8-10-16(24-2)21(28-6)20(13)27-5/h7-12H,1-6H3/b9-7+ |
| Standard InCHIKey | LUGJWTLKPPWJAI-VQHVLOKHSA-N |
| External Identifiers | ChEMBL [CHEMBL595815]; PubChem [10862032]; |
| Reference of Component-Ingredient Pair | N/A |
Occurrence of the ingredient across TCM components
Ingredient ID: TCMC5430
Formula: C21H32O5
Ingredient ID: TCMC5430
| Common Name | 14-Deoxy-12-Methoxyandrographolide |
| IUPAC Name | 4-[2-[(1R,5R,6R,8aS)-6-hydroxy-5-(hydroxymethyl)-5,8a-dimethyl-2-methylidene-3,4,4a,6,7,8-hexahydro-1H-naphthalen-1-yl]-1-methoxyethyl]-2H-furan-5-one |
| Canonical SMILES | COC(C1=CCOC1=O)C[C@@H]1C(=C)CCC2[C@@]1(C)CC[C@H]([C@@]2(C)CO)O |
| Standard InCHI | InChI=1S/C21H32O5/c1-13-5-6-17-20(2,9-7-18(23)21(17,3)12-22)15(13)11-16(25-4)14-8-10-26-19(14)24/h8,15-18,22-23H,1,5-7,9-12H2,2-4H3/t15-,16?,17?,18-,20+,21+/m1/s1 |
| Standard InCHIKey | SJKRRZPXYGTAGA-ARXXAYKSSA-N |
| External Identifiers | ChEMBL [N/A]; PubChem [10473975]; |
| Reference of Component-Ingredient Pair | 8069972 |
Occurrence of the ingredient across TCM components
Ingredient ID: TCMC5273
Formula: C20H28O5
Ingredient ID: TCMC5273
| Common Name | 14-Deoxy-11-Oxoandrographolide |
| IUPAC Name | 4-[2-[(1R,4aS,5R,6R,8aR)-6-hydroxy-5-(hydroxymethyl)-5,8a-dimethyl-2-methylidene-3,4,4a,6,7,8-hexahydro-1H-naphthalen-1-yl]-2-oxoethyl]-2H-furan-5-one |
| Canonical SMILES | OC[C@]1(C)[C@H](O)CC[C@@]2([C@@H]1CCC(=C)[C@H]2C(=O)CC1=CCOC1=O)C |
| Standard InCHI | InChI=1S/C20H28O5/c1-12-4-5-15-19(2,8-6-16(23)20(15,3)11-21)17(12)14(22)10-13-7-9-25-18(13)24/h7,15-17,21,23H,1,4-6,8-11H2,2-3H3/t15-,16+,17-,19+,20-/m0/s1 |
| Standard InCHIKey | WZHWNAKOQGIEEB-NDLGOLERSA-N |
| External Identifiers | ChEMBL [N/A]; PubChem [9975052]; |
| Reference of Component-Ingredient Pair | N/A |
Occurrence of the ingredient across TCM components
Ingredient ID: TCMC5245
Formula: C26H40O8
Ingredient ID: TCMC5245
| Common Name | Neoandrographolide |
| IUPAC Name | 4-[2-[(1R,4aS,5R,8aS)-5,8a-dimethyl-2-methylidene-5-[[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]-3,4,4a,6,7,8-hexahydro-1H-naphthalen-1-yl]ethyl]-2H-furan-5-one |
| Canonical SMILES | OC[C@H]1O[C@@H](OC[C@]2(C)CCC[C@@]3([C@@H]2CCC(=C)[C@H]3CCC2=CCOC2=O)C)[C@@H]([C@H]([C@@H]1O)O)O |
| Standard InCHI | InChI=1S/C26H40O8/c1-15-5-8-19-25(2,14-33-24-22(30)21(29)20(28)18(13-27)34-24)10-4-11-26(19,3)17(15)7-6-16-9-12-32-23(16)31/h9,17-22,24,27-30H,1,4-8,10-14H2,2-3H3/t17-,18-,19-,20-,21+,22-,24-,25+,26+/m1/s1 |
| Standard InCHIKey | YGCYRQKJYWQXHG-RDNQFMDVSA-N |
| External Identifiers | ChEMBL [CHEMBL480853]; PubChem [9848024]; |
| Reference of Component-Ingredient Pair | 29143537 |
Occurrence of the ingredient across TCM components
Ingredient ID: TCMC5211
Formula: C22H22O10
Ingredient ID: TCMC5211
| Common Name | Echioidinin-2'-O-Β-D-Glucopyranoside |
| IUPAC Name | 5-hydroxy-7-methoxy-2-[2-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]chromen-4-one |
| Canonical SMILES | OC[C@H]1O[C@@H](Oc2ccccc2c2cc(=O)c3c(o2)cc(cc3O)OC)[C@@H]([C@H]([C@@H]1O)O)O |
| Standard InCHI | InChI=1S/C22H22O10/c1-29-10-6-12(24)18-13(25)8-15(30-16(18)7-10)11-4-2-3-5-14(11)31-22-21(28)20(27)19(26)17(9-23)32-22/h2-8,17,19-24,26-28H,9H2,1H3/t17-,19-,20+,21-,22-/m1/s1 |
| Standard InCHIKey | NCWUWWMZUSHZKJ-MIUGBVLSSA-N |
| External Identifiers | ChEMBL [N/A]; PubChem [9496891]; |
| Reference of Component-Ingredient Pair | N/A |
Occurrence of the ingredient across TCM components
Ingredient ID: TCMC5143
Formula: C20H28O4
Ingredient ID: TCMC5143
| Common Name | 14-Deoxy-11,12-Didehydroandrographolide |
| IUPAC Name | (3E)-3-[2-[(1R,4aS,5R,6R,8aS)-6-hydroxy-5-(hydroxymethyl)-5,8a-dimethyl-2-methylidene-3,4,4a,6,7,8-hexahydro-1H-naphthalen-1-yl]ethylidene]furan-2-one |
| Canonical SMILES | OC[C@]1(C)[C@H](O)CC[C@@]2([C@@H]1CCC(=C)[C@H]2C/C=C/1C=COC1=O)C |
| Standard InCHI | InChI=1S/C20H28O4/c1-13-4-7-16-19(2,10-8-17(22)20(16,3)12-21)15(13)6-5-14-9-11-24-18(14)23/h5,9,11,15-17,21-22H,1,4,6-8,10,12H2,2-3H3/b14-5+/t15-,16+,17-,19+,20+/m1/s1 |
| Standard InCHIKey | YIIRVUDGRKEWBV-FZOOCBFYSA-N |
| External Identifiers | ChEMBL [CHEMBL2436162]; PubChem [6473762]; |
| Reference of Component-Ingredient Pair | 29477305 |
Occurrence of the ingredient across TCM components
Ingredient ID: TCMC4825
Formula: C17H14O6
Ingredient ID: TCMC4825
| Common Name | Skullcapflavone I |
| IUPAC Name | 5-hydroxy-2-(2-hydroxyphenyl)-7,8-dimethoxychromen-4-one |
| Canonical SMILES | COc1cc(O)c2c(c1OC)oc(cc2=O)c1ccccc1O |
| Standard InCHI | InChI=1S/C17H14O6/c1-21-14-8-12(20)15-11(19)7-13(23-17(15)16(14)22-2)9-5-3-4-6-10(9)18/h3-8,18,20H,1-2H3 |
| Standard InCHIKey | CZRGNFVQUYWGKP-UHFFFAOYSA-N |
| External Identifiers | ChEMBL [N/A]; PubChem [5320399]; |
| Reference of Component-Ingredient Pair | 12770598 |
Occurrence of the ingredient across TCM components
Ingredient ID: TCMC481
Formula: C20H28O4
Ingredient ID: TCMC481
| Common Name | 4-[(E)-2-[(1R,4As,5R,6R,8Ar)-6-Hydroxy-5-(Hydroxymethyl)-5,8A-Dimethyl-2-Methylidene-3,4,4A,6,7,8-Hexahydro-1H-Naphthalen-1-Yl]Ethenyl]-2H-Furan-5-One |
| IUPAC Name | 4-[(E)-2-[(1R,4aS,5R,6R,8aR)-6-hydroxy-5-(hydroxymethyl)-5,8a-dimethyl-2-methylidene-3,4,4a,6,7,8-hexahydro-1H-naphthalen-1-yl]ethenyl]-2H-furan-5-one |
| Canonical SMILES | OC[C@]1(C)[C@H](O)CC[C@@]2([C@@H]1CCC(=C)[C@H]2/C=C/C1=CCOC1=O)C |
| Standard InCHI | InChI=1S/C20H28O4/c1-13-4-7-16-19(2,10-8-17(22)20(16,3)12-21)15(13)6-5-14-9-11-24-18(14)23/h5-6,9,15-17,21-22H,1,4,7-8,10-12H2,2-3H3/b6-5+/t15-,16+,17-,19+,20+/m1/s1 |
| Standard InCHIKey | XMJAJFVLHDIEHF-CRBRZBHVSA-N |
| External Identifiers | ChEMBL [CHEMBL361568]; PubChem [5708351]; |
| Reference of Component-Ingredient Pair | 29097170 |
Occurrence of the ingredient across TCM components
| Component ID | Latin Name | Pinyin Name | Chinese Name |
|---|---|---|---|
| TCMH298 | Andrographis paniculata | Chuan Xin Lian | 穿心莲 |
| TCMH299 | Andrographis paniculata | Chuan Xin Lian Gan Jin Gao | 穿心莲干浸膏 |
| TCMH300 | Andrographis paniculata | Chuan Xin Lian Jin Gao | 穿心莲浸膏 |
| TCMH302 | Andrographis paniculata | Chuan Xin Lian Nong Suo Ye | 穿心莲浓缩液 |
| TCMH303 | Andrographis herba | Chuan Xin Lian Ye | 穿心莲叶 |
Showing 1 to 5 of 5 entries
Ingredient ID: TCMC4779
Formula: C19H18O7
Ingredient ID: TCMC4779
| Common Name | Mono-O-Methylwightin |
| IUPAC Name | 2-(2,3-dimethoxyphenyl)-5-hydroxy-7,8-dimethoxychromen-4-one |
| Canonical SMILES | COc1cccc(c1OC)c1cc(=O)c2c(o1)c(OC)c(cc2O)OC |
| Standard InCHI | InChI=1S/C19H18O7/c1-22-13-7-5-6-10(17(13)24-3)14-8-11(20)16-12(21)9-15(23-2)18(25-4)19(16)26-14/h5-9,21H,1-4H3 |
| Standard InCHIKey | BOWQAZJBVPUOQA-UHFFFAOYSA-N |
| External Identifiers | ChEMBL [N/A]; PubChem [5319878]; |
| Reference of Component-Ingredient Pair | 20465823 |
Occurrence of the ingredient across TCM components
Ingredient ID: TCMC4646
Formula: C25H28O13
Ingredient ID: TCMC4646
| Common Name | Andrographidine F |
| IUPAC Name | 2-(4-hydroxy-2,3-dimethoxyphenyl)-7,8-dimethoxy-5-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxychromen-4-one |
| Canonical SMILES | OC[C@H]1O[C@@H](Oc2cc(OC)c(c3c2c(=O)cc(o3)c2ccc(c(c2OC)OC)O)OC)[C@@H]([C@H]([C@@H]1O)O)O |
| Standard InCHI | InChI=1S/C25H28O13/c1-32-15-8-14(37-25-20(31)19(30)18(29)16(9-26)38-25)17-12(28)7-13(36-24(17)23(15)35-4)10-5-6-11(27)22(34-3)21(10)33-2/h5-8,16,18-20,25-27,29-31H,9H2,1-4H3/t16-,18-,19+,20-,25-/m1/s1 |
| Standard InCHIKey | DOOHDGFTLGCFTC-HULAXLKRSA-N |
| External Identifiers | ChEMBL [N/A]; PubChem [5318512]; |
| Reference of Component-Ingredient Pair | N/A |
Occurrence of the ingredient across TCM components
Ingredient ID: TCMC4643
Formula: C18H16O6
Ingredient ID: TCMC4643
| Common Name | Andrographin |
| IUPAC Name | 5-hydroxy-7,8-dimethoxy-2-(2-methoxyphenyl)chromen-4-one |
| Canonical SMILES | COc1ccccc1c1cc(=O)c2c(o1)c(OC)c(cc2O)OC |
| Standard InCHI | InChI=1S/C18H16O6/c1-21-13-7-5-4-6-10(13)14-8-11(19)16-12(20)9-15(22-2)17(23-3)18(16)24-14/h4-9,20H,1-3H3 |
| Standard InCHIKey | AJMNTEFGXPRZHG-UHFFFAOYSA-N |
| External Identifiers | ChEMBL [N/A]; PubChem [5318506]; |
| Reference of Component-Ingredient Pair | 20465823 |
Occurrence of the ingredient across TCM components
Ingredient ID: TCMC4642
Formula: C24H26O11
Ingredient ID: TCMC4642
| Common Name | Andrographidine E |
| IUPAC Name | 7,8-dimethoxy-2-(2-methoxyphenyl)-5-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxychromen-4-one |
| Canonical SMILES | OC[C@H]1O[C@@H](Oc2cc(OC)c(c3c2c(=O)cc(o3)c2ccccc2OC)OC)[C@@H]([C@H]([C@@H]1O)O)O |
| Standard InCHI | InChI=1S/C24H26O11/c1-30-13-7-5-4-6-11(13)14-8-12(26)18-15(9-16(31-2)22(32-3)23(18)33-14)34-24-21(29)20(28)19(27)17(10-25)35-24/h4-9,17,19-21,24-25,27-29H,10H2,1-3H3/t17-,19-,20+,21-,24-/m1/s1 |
| Standard InCHIKey | KJWPVIVMWLREST-UKMCQSRUSA-N |
| External Identifiers | ChEMBL [N/A]; PubChem [5318498]; |
| Reference of Component-Ingredient Pair | 29710865 |
Occurrence of the ingredient across TCM components
Ingredient ID: TCMC4641
Formula: C23H24O10
Ingredient ID: TCMC4641
| Common Name | Andrographidine C |
| IUPAC Name | 7,8-dimethoxy-2-phenyl-5-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxychromen-4-one |
| Canonical SMILES | OC[C@H]1O[C@@H](Oc2cc(OC)c(c3c2c(=O)cc(o3)c2ccccc2)OC)[C@@H]([C@H]([C@@H]1O)O)O |
| Standard InCHI | InChI=1S/C23H24O10/c1-29-15-9-14(32-23-20(28)19(27)18(26)16(10-24)33-23)17-12(25)8-13(11-6-4-3-5-7-11)31-22(17)21(15)30-2/h3-9,16,18-20,23-24,26-28H,10H2,1-2H3/t16-,18-,19+,20-,23-/m1/s1 |
| Standard InCHIKey | WGCQDTNINMCFAY-PUIBNRJISA-N |
| External Identifiers | ChEMBL [N/A]; PubChem [5318484]; |
| Reference of Component-Ingredient Pair | 21626787 |
Occurrence of the ingredient across TCM components
Ingredient ID: TCMC4636
Formula: C18H16O6
Ingredient ID: TCMC4636
| Common Name | 5-Hydroxy-7,2',6'-Trimethoxyflavone |
| IUPAC Name | 2-(2,6-dimethoxyphenyl)-5-hydroxy-7-methoxychromen-4-one |
| Canonical SMILES | COc1cc(O)c2c(c1)oc(cc2=O)c1c(OC)cccc1OC |
| Standard InCHI | InChI=1S/C18H16O6/c1-21-10-7-11(19)17-12(20)9-16(24-15(17)8-10)18-13(22-2)5-4-6-14(18)23-3/h4-9,19H,1-3H3 |
| Standard InCHIKey | SYNMHBLAWSMSHJ-UHFFFAOYSA-N |
| External Identifiers | ChEMBL [N/A]; PubChem [5318369]; |
| Reference of Component-Ingredient Pair | 12648550 |
Occurrence of the ingredient across TCM components
Ingredient ID: TCMC4344
Formula: C17H14O5
Ingredient ID: TCMC4344
| Common Name | 5-Hydroxy-4',7-Dimethoxy-Flavone |
| IUPAC Name | 5-hydroxy-7-methoxy-2-(4-methoxyphenyl)chromen-4-one |
| Canonical SMILES | COc1ccc(cc1)c1cc(=O)c2c(o1)cc(cc2O)OC |
| Standard InCHI | InChI=1S/C17H14O5/c1-20-11-5-3-10(4-6-11)15-9-14(19)17-13(18)7-12(21-2)8-16(17)22-15/h3-9,18H,1-2H3 |
| Standard InCHIKey | LZERJKGWTQYMBB-UHFFFAOYSA-N |
| External Identifiers | ChEMBL [CHEMBL350958]; PubChem [5281601]; |
| Reference of Component-Ingredient Pair | 23019879 |
Occurrence of the ingredient across TCM components
Ingredient ID: TCMC418
Formula: C25H24O12
Ingredient ID: TCMC418
| Common Name | 3,4-Dicaffeoylquinic Acid |
| IUPAC Name | (1S,3R,4R,5R)-3,4-bis[[(E)-3-(3,4-dihydroxyphenyl)prop-2-enoyl]oxy]-1,5-dihydroxycyclohexane-1-carboxylic acid |
| Canonical SMILES | O=C(O[C@@H]1[C@H](O)C[C@@](C[C@H]1OC(=O)/C=C/c1ccc(c(c1)O)O)(O)C(=O)O)/C=C/c1ccc(c(c1)O)O |
| Standard InCHI | InChI=1S/C25H24O12/c26-15-5-1-13(9-17(15)28)3-7-21(31)36-20-12-25(35,24(33)34)11-19(30)23(20)37-22(32)8-4-14-2-6-16(27)18(29)10-14/h1-10,19-20,23,26-30,35H,11-12H2,(H,33,34)/b7-3+,8-4+/t19-,20-,23-,25+/m1/s1 |
| Standard InCHIKey | UFCLZKMFXSILNL-PSEXTPKNSA-N |
| External Identifiers | ChEMBL [CHEMBL249448]; PubChem [5281780]; |
| Reference of Component-Ingredient Pair | 22701506 |
Occurrence of the ingredient across TCM components
| Component ID | Latin Name | Pinyin Name | Chinese Name |
|---|---|---|---|
| TCMH1033 | Centella asiatica | Ji Xue Cao | 积雪草 |
| TCMH1127 | Lonicera japonica | Jin Yin Hua | 金银花 |
| TCMH1128 | Lonicera japonica | Jin Yin Hua Ti Qu Ye | 金银花提取液 |
| TCMH12 | Artemisia argyi | Ai Ye | 艾叶 |
| TCMH1223 | Tussilago farfara | Kuan Dong Hua | 款冬花 |
| TCMH13 | Artemisia argyi | Ai Ye You | 艾叶油 |
| TCMH1483 | Tussilago farfara | Mi Kuan Dong Hua | 蜜款冬花 |
| TCMH1490 | Aster tataricus | Mi Zi Wan | 蜜紫菀 |
| TCMH1632 | Taraxacum mongolicum | Pu Gong Ying | 蒲公英 |
| TCMH1633 | Taraxacum mongolicum | Pu Gong Ying Jin Gao | 蒲公英浸膏 |
Showing 1 to 10 of 43 entries
Ingredient ID: TCMC4093
Formula: C23H32O4
Ingredient ID: TCMC4093
| Common Name | 14-Deoxy-15-Isopropylidene-11,12-Didehydroandrographolide |
| IUPAC Name | 3-[(E)-2-[(1R,4aS,5R,6R,8aR)-6-hydroxy-5-(hydroxymethyl)-5,8a-dimethyl-2-methylidene-3,4,4a,6,7,8-hexahydro-1H-naphthalen-1-yl]ethenyl]-5-propan-2-ylidenefuran-2-one |
| Canonical SMILES | OC[C@]1(C)[C@H](O)CC[C@@]2([C@@H]1CCC(=C)[C@H]2/C=C/C1=CC(=C(C)C)OC1=O)C |
| Standard InCHI | InChI=1S/C23H32O4/c1-14(2)18-12-16(21(26)27-18)7-8-17-15(3)6-9-19-22(17,4)11-10-20(25)23(19,5)13-24/h7-8,12,17,19-20,24-25H,3,6,9-11,13H2,1-2,4-5H3/b8-7+/t17-,19+,20-,22+,23+/m1/s1 |
| Standard InCHIKey | NOBUCQWGEOIPGK-ZCDHJCLFSA-N |
| External Identifiers | ChEMBL [CHEMBL205812]; PubChem [637300]; |
| Reference of Component-Ingredient Pair | 12648550 |
Occurrence of the ingredient across TCM components
Ingredient ID: TCMC3569
Formula: C26H40O8
Ingredient ID: TCMC3569
| Common Name | Neoandrographolide |
| IUPAC Name | 4-[2-[(4aS,5R,8aS)-5,8a-dimethyl-2-methylidene-5-[[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]-3,4,4a,6,7,8-hexahydro-1H-naphthalen-1-yl]ethyl]-2H-furan-5-one |
| Canonical SMILES | OC[C@H]1O[C@@H](OC[C@]2(C)CCC[C@@]3([C@@H]2CCC(=C)C3CCC2=CCOC2=O)C)[C@@H]([C@H]([C@@H]1O)O)O |
| Standard InCHI | InChI=1S/C26H40O8/c1-15-5-8-19-25(2,14-33-24-22(30)21(29)20(28)18(13-27)34-24)10-4-11-26(19,3)17(15)7-6-16-9-12-32-23(16)31/h9,17-22,24,27-30H,1,4-8,10-14H2,2-3H3/t17?,18-,19-,20-,21+,22-,24-,25+,26+/m1/s1 |
| Standard InCHIKey | YGCYRQKJYWQXHG-JXAGCRMJSA-N |
| External Identifiers | ChEMBL [N/A]; PubChem [160143]; |
| Reference of Component-Ingredient Pair | US2015352075 |
Occurrence of the ingredient across TCM components
Ingredient ID: TCMC3452
Formula: C19H18O8
Ingredient ID: TCMC3452
| Common Name | 5-Hydroxy-6,7,8,4'-Tetramethoxyflavone,Skullcapflavone I,Skullcapflavone II |
| IUPAC Name | 5-hydroxy-2-(2-hydroxy-6-methoxyphenyl)-6,7,8-trimethoxychromen-4-one |
| Canonical SMILES | COc1cccc(c1c1cc(=O)c2c(o1)c(OC)c(c(c2O)OC)OC)O |
| Standard InCHI | InChI=1S/C19H18O8/c1-23-11-7-5-6-9(20)13(11)12-8-10(21)14-15(22)17(24-2)19(26-4)18(25-3)16(14)27-12/h5-8,20,22H,1-4H3 |
| Standard InCHIKey | GMQFOKBGMKVUQZ-UHFFFAOYSA-N |
| External Identifiers | ChEMBL [CHEMBL465561]; PubChem [124211]; |
| Reference of Component-Ingredient Pair | 22235229 |
Occurrence of the ingredient across TCM components
Ingredient ID: TCMC3131
Formula: C40H82
Ingredient ID: TCMC3131
| Common Name | Andrographan |
| IUPAC Name | tetracontane |
| Canonical SMILES | CCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCC |
| Standard InCHI | InChI=1S/C40H82/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-37-39-40-38-36-34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h3-40H2,1-2H3 |
| Standard InCHIKey | KUPLEGDPSCCPJI-UHFFFAOYSA-N |
| External Identifiers | ChEMBL [N/A]; PubChem [20149]; |
| Reference of Component-Ingredient Pair | 21969747 |
Occurrence of the ingredient across TCM components
Ingredient ID: TCMC3070
Formula: C33H68
Ingredient ID: TCMC3070
| Common Name | Triatricontane |
| IUPAC Name | tritriacontane |
| Canonical SMILES | CCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCC |
| Standard InCHI | InChI=1S/C33H68/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h3-33H2,1-2H3 |
| Standard InCHIKey | SUJUOAZFECLBOA-UHFFFAOYSA-N |
| External Identifiers | ChEMBL [N/A]; PubChem [12411]; |
| Reference of Component-Ingredient Pair | 21967701 |
Occurrence of the ingredient across TCM components
Ingredient ID: TCMC2826
Formula: C28H44O3
Ingredient ID: TCMC2826
| Common Name | Ergosterol Peroxide |
| IUPAC Name | n.a. |
| Canonical SMILES | O[C@H]1CC[C@]2([C@@]3(C1)OO[C@@]1([C@@H]2CC[C@]2([C@H]1CC[C@@H]2[C@@H](/C=C/[C@@H](C(C)C)C)C)C)C=C3)C |
| Standard InCHI | InChI=1S/C28H44O3/c1-18(2)19(3)7-8-20(4)22-9-10-23-25(22,5)13-12-24-26(6)14-11-21(29)17-27(26)15-16-28(23,24)31-30-27/h7-8,15-16,18-24,29H,9-14,17H2,1-6H3/b8-7+/t19-,20+,21-,22+,23+,24+,25+,26+,27+,28-/m0/s1 |
| Standard InCHIKey | VXOZCESVZIRHCJ-KGHQQZOUSA-N |
| External Identifiers | ChEMBL [CHEMBL434750]; PubChem [5351516]; |
| Reference of Component-Ingredient Pair | 18481012 |
Occurrence of the ingredient across TCM components
| Component ID | Latin Name | Pinyin Name | Chinese Name |
|---|---|---|---|
| TCMH1296 | Ganoderma lucidum | Ling Zhi Jin Gao | 灵芝浸膏 |
| TCMH1299 | Ganoderma lucidum | Ling Zhi(1) | 灵芝 |
| TCMH1949 | Pothos chinensis | Shi Pu Teng | 石蒲藤 |
| TCMH2671 | Polyporus umbellatus | Zhu Ling | 猪苓 |
| TCMH298 | Andrographis paniculata | Chuan Xin Lian | 穿心莲 |
| TCMH299 | Andrographis paniculata | Chuan Xin Lian Gan Jin Gao | 穿心莲干浸膏 |
| TCMH300 | Andrographis paniculata | Chuan Xin Lian Jin Gao | 穿心莲浸膏 |
| TCMH302 | Andrographis paniculata | Chuan Xin Lian Nong Suo Ye | 穿心莲浓缩液 |
| TCMH494 | Cordyceps sinensis | Dong Chong Xia Cao | 冬虫夏草 |
| TCMH844 | Breynia fruticosa | Hei Mian Shen | 黑面神 |
Showing 1 to 10 of 11 entries
Ingredient ID: TCMC2702
Formula: C17H16O5
Ingredient ID: TCMC2702
| Common Name | 5-Hydroxy-7,8-Dimethoxyflavanone |
| IUPAC Name | 5-hydroxy-7,8-dimethoxy-2-phenyl-2,3-dihydrochromen-4-one |
| Canonical SMILES | COc1c(OC)cc(c2c1OC(CC2=O)c1ccccc1)O |
| Standard InCHI | InChI=1S/C17H16O5/c1-20-14-9-12(19)15-11(18)8-13(10-6-4-3-5-7-10)22-17(15)16(14)21-2/h3-7,9,13,19H,8H2,1-2H3 |
| Standard InCHIKey | VPGMCCIECGDASG-UHFFFAOYSA-N |
| External Identifiers | ChEMBL [CHEMBL1082119]; PubChem [13963770]; |
| Reference of Component-Ingredient Pair | N/A |
Occurrence of the ingredient across TCM components
| Component ID | Latin Name | Pinyin Name | Chinese Name |
|---|---|---|---|
| TCMH298 | Andrographis paniculata | Chuan Xin Lian | 穿心莲 |
| TCMH299 | Andrographis paniculata | Chuan Xin Lian Gan Jin Gao | 穿心莲干浸膏 |
| TCMH300 | Andrographis paniculata | Chuan Xin Lian Jin Gao | 穿心莲浸膏 |
| TCMH302 | Andrographis paniculata | Chuan Xin Lian Nong Suo Ye | 穿心莲浓缩液 |
Showing 1 to 4 of 4 entries
Ingredient ID: TCMC2493
Formula: C20H40O
Ingredient ID: TCMC2493
| Common Name | 3,7,11,15-Tetramethylhexadec-2-En-1-Ol |
| IUPAC Name | (E)-3,7,11,15-tetramethylhexadec-2-en-1-ol |
| Canonical SMILES | OC/C=C(/CCCC(CCCC(CCCC(C)C)C)C)C |
| Standard InCHI | InChI=1S/C20H40O/c1-17(2)9-6-10-18(3)11-7-12-19(4)13-8-14-20(5)15-16-21/h15,17-19,21H,6-14,16H2,1-5H3/b20-15+ |
| Standard InCHIKey | BOTWFXYSPFMFNR-HMMYKYKNSA-N |
| External Identifiers | ChEMBL [CHEMBL390773]; PubChem [5366244]; |
| Reference of Component-Ingredient Pair | N/A |
Occurrence of the ingredient across TCM components
| Component ID | Latin Name | Pinyin Name | Chinese Name |
|---|---|---|---|
| TCMH108 | Perilla frutescens | Bai Su Zi | 白苏子 |
| TCMH1178 | Citrus reticulata | Ju He | 橘核 |
| TCMH1184 | Citrus reticulata | Ju Pi | 橘皮 |
| TCMH132 | Scutellaria barbata | Ban Zhi Lian | 半枝莲 |
| TCMH1437 | Rhododendron dauricum | Man Shan Hong | 满山红 |
| TCMH147 | Glehnia littoralis | Bei Sha Shen | 北沙参 |
| TCMH148 | Glehnia littoralis | Bei Sha Shen Liu Jin Gao | 北沙参流浸膏 |
| TCMH1503 | Eclipta prostrata | Mo Han Lian | 墨旱莲 |
| TCMH1632 | Taraxacum mongolicum | Pu Gong Ying | 蒲公英 |
| TCMH1633 | Taraxacum mongolicum | Pu Gong Ying Jin Gao | 蒲公英浸膏 |
Showing 1 to 10 of 29 entries
Ingredient ID: TCMC2404
Formula: C30H50
Ingredient ID: TCMC2404
| Common Name | Squalene |
| IUPAC Name | (6E,10E,14E,18E)-2,6,10,15,19,23-hexamethyltetracosa-2,6,10,14,18,22-hexaene |
| Canonical SMILES | C/C(=CCC/C=C(/CC/C=C(/CCC=C(C)C)C)C)/CC/C=C(/CCC=C(C)C)C |
| Standard InCHI | InChI=1S/C30H50/c1-25(2)15-11-19-29(7)23-13-21-27(5)17-9-10-18-28(6)22-14-24-30(8)20-12-16-26(3)4/h15-18,23-24H,9-14,19-22H2,1-8H3/b27-17+,28-18+,29-23+,30-24+ |
| Standard InCHIKey | YYGNTYWPHWGJRM-AAJYLUCBSA-N |
| External Identifiers | ChEMBL [CHEMBL458402]; PubChem [638072]; |
| Reference of Component-Ingredient Pair | 16557464 |
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 |
| TCMH1059 | Glycine max | Jiang | 姜 |
| TCMH1062 | Glycine max | Jiang Gao | 姜膏 |
| TCMH1067 | Glycine max | Jiang Tan | 姜炭 |
| TCMH1146 | Oryza sativa | Jing Mi | 粳米 |
| TCMH1211 | Melia azedarach | Ku Lian Pi | 苦楝皮 |
| TCMH1212 | Melia azedarach | Ku Lian Zi | 苦楝子 |
| TCMH1452 | Gerbera piloselloides | Mao Da Ding Cao | 毛大丁草 |
| TCMH1648 | Sagina japonica | Qi Gu Cao | 漆姑草 |
Showing 1 to 10 of 49 entries
Ingredient ID: TCMC2237
Formula: C16H12O5
Ingredient ID: TCMC2237
| Common Name | Wogonin |
| IUPAC Name | 5,7-dihydroxy-8-methoxy-2-phenylchromen-4-one |
| Canonical SMILES | COc1c(O)cc(c2c1oc(cc2=O)c1ccccc1)O |
| Standard InCHI | InChI=1S/C16H12O5/c1-20-15-12(19)7-10(17)14-11(18)8-13(21-16(14)15)9-5-3-2-4-6-9/h2-8,17,19H,1H3 |
| Standard InCHIKey | XLTFNNCXVBYBSX-UHFFFAOYSA-N |
| External Identifiers | ChEMBL [CHEMBL16171]; PubChem [5281703]; |
| Reference of Component-Ingredient Pair | 22885972 |
Occurrence of the ingredient across TCM components
| Component ID | Latin Name | Pinyin Name | Chinese Name |
|---|---|---|---|
| TCMH1064 | Coptis chinensis | Jiang Huang Lian | 姜黄连 |
| TCMH1161 | Coptis chinensis | Jiu Huang Lian | 酒黄连 |
| TCMH132 | Scutellaria barbata | Ban Zhi Lian | 半枝莲 |
| TCMH1519 | Oroxylum indicum | Mu Hu Die | 木蝴蝶 |
| TCMH1622 | Scutellaria baicalensis | Pian Qin | 片芩 |
| TCMH1856 | Gardenia jasminoides | Shan Zhi | 山栀 |
| TCMH2071 | Prunus persica | Tao | 桃 |
| TCMH2073 | Prunus persica | Tao Ren | 桃仁 |
| TCMH2074 | Prunus persica | Tao Ren Shuang | 桃仁霜 |
| TCMH2077 | Prunus persica | Tao Zhi | 桃枝 |
Showing 1 to 10 of 47 entries
Ingredient ID: TCMC2182
Formula: C20H40O
Ingredient ID: TCMC2182
| Common Name | Trans-Phytol |
| IUPAC Name | (E,7R,11R)-3,7,11,15-tetramethylhexadec-2-en-1-ol |
| Canonical SMILES | OC/C=C(/CCC[C@@H](CCC[C@@H](CCCC(C)C)C)C)C |
| Standard InCHI | InChI=1S/C20H40O/c1-17(2)9-6-10-18(3)11-7-12-19(4)13-8-14-20(5)15-16-21/h15,17-19,21H,6-14,16H2,1-5H3/b20-15+/t18-,19-/m1/s1 |
| Standard InCHIKey | BOTWFXYSPFMFNR-PYDDKJGSSA-N |
| External Identifiers | ChEMBL [CHEMBL1644111]; PubChem [5280435]; |
| Reference of Component-Ingredient Pair | 28344896 |
Occurrence of the ingredient across TCM components
| Component ID | Latin Name | Pinyin Name | Chinese Name |
|---|---|---|---|
| TCMH1053 | Saponaria officinalis | Jian Hua | 碱花 |
| TCMH108 | Perilla frutescens | Bai Su Zi | 白苏子 |
| TCMH114 | Platycladus orientalis | Bai Ye | 柏叶 |
| TCMH1178 | Citrus reticulata | Ju He | 橘核 |
| TCMH1184 | Citrus reticulata | Ju Pi | 橘皮 |
| TCMH1275 | Nelumbo nucifera | Lian Zi | 莲子 |
| TCMH1276 | Nelumbo nucifera | Lian Zi Xin | 莲子心 |
| TCMH132 | Scutellaria barbata | Ban Zhi Lian | 半枝莲 |
| TCMH1437 | Rhododendron dauricum | Man Shan Hong | 满山红 |
| TCMH147 | Glehnia littoralis | Bei Sha Shen | 北沙参 |
Showing 1 to 10 of 46 entries
Ingredient ID: TCMC1950
Formula: C10H12O3
Ingredient ID: TCMC1950
| Common Name | Propylparaben |
| IUPAC Name | propyl 4-hydroxybenzoate |
| Canonical SMILES | CCCOC(=O)c1ccc(cc1)O |
| Standard InCHI | InChI=1S/C10H12O3/c1-2-7-13-10(12)8-3-5-9(11)6-4-8/h3-6,11H,2,7H2,1H3 |
| Standard InCHIKey | QELSKZZBTMNZEB-UHFFFAOYSA-N |
| External Identifiers | ChEMBL [CHEMBL194014]; PubChem [7175]; |
| 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 |
| TCMH2710 | Homo sapiens | Zi He Che | 紫河车 |
| TCMH298 | Andrographis paniculata | Chuan Xin Lian | 穿心莲 |
| TCMH299 | Andrographis paniculata | Chuan Xin Lian Gan Jin Gao | 穿心莲干浸膏 |
| TCMH300 | Andrographis paniculata | Chuan Xin Lian Jin Gao | 穿心莲浸膏 |
| TCMH302 | Andrographis paniculata | Chuan Xin Lian Nong Suo Ye | 穿心莲浓缩液 |
Showing 1 to 6 of 6 entries
Ingredient ID: TCMC1855
Formula: C5H12
Ingredient ID: TCMC1855
| Common Name | Pentane |
| IUPAC Name | pentane |
| Canonical SMILES | CCCCC |
| Standard InCHI | InChI=1S/C5H12/c1-3-5-4-2/h3-5H2,1-2H3 |
| Standard InCHIKey | OFBQJSOFQDEBGM-UHFFFAOYSA-N |
| External Identifiers | ChEMBL [CHEMBL16102]; PubChem [8003]; |
| Reference of Component-Ingredient Pair | N/A |
Occurrence of the ingredient across TCM components
| Component ID | Latin Name | Pinyin Name | Chinese Name |
|---|---|---|---|
| TCMH1000 | Foeniculum vulgare | Hui Xiang | 茴香 |
| TCMH123 | Pteris semipinnata | Ban Bian Qi | 半边旗 |
| TCMH1336 | Pandanus tectorius | Lu Dou | 露兜 |
| TCMH1348 | Liquidambar formosana | Lu Lu Tong | 路路通 |
| TCMH1507 | Commiphora myrrha | Mo Xiang | 没香 |
| TCMH1508 | Commiphora myrrha | Mo Yao | 没药 |
| TCMH1734 | Homo sapiens | Ren Zhong Bai | 人中白 |
| TCMH1753 | Boswellia carterii | Ru Xiang | 乳香 |
| TCMH1803 | Amomum villosum | Sha Ren | 砂仁 |
| TCMH1804 | Amomum villosum | Sha Ren Ye | 砂仁叶 |
Showing 1 to 10 of 18 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: TCMC1582
Formula: C8H8O3
Ingredient ID: TCMC1582
| Common Name | Methylparaben |
| IUPAC Name | methyl 4-hydroxybenzoate |
| Canonical SMILES | COC(=O)c1ccc(cc1)O |
| Standard InCHI | InChI=1S/C8H8O3/c1-11-8(10)6-2-4-7(9)5-3-6/h2-5,9H,1H3 |
| Standard InCHIKey | LXCFILQKKLGQFO-UHFFFAOYSA-N |
| External Identifiers | ChEMBL [CHEMBL325372]; PubChem [7456]; |
| Reference of Component-Ingredient Pair | N/A |
Occurrence of the ingredient across TCM components
| Component ID | Latin Name | Pinyin Name | Chinese Name |
|---|---|---|---|
| TCMH1105 | Trollius chinensis | Jin Lian Hua | 金莲花 |
| TCMH1122 | Psammosilene tunicoides | Jin Tie Suo | 金铁锁 |
| TCMH1278 | Radix zanthoxyli | Liang Mian Zhen | 两面针 |
| 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 |
| TCMH1539 | Cucurbita moschata | Nan Gua | 南瓜 |
| TCMH1628 | Fructus psoraleae corylifoliae | Po Gu Zhi | 破故纸 |
| TCMH1734 | Homo sapiens | Ren Zhong Bai | 人中白 |
| TCMH213 | Boschniakia rossica | Cao Cong Rong | 草苁蓉 |
Showing 1 to 10 of 22 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: TCMC1409
Formula: C21H20O12
Ingredient ID: TCMC1409
| Common Name | Isoquercetin |
| IUPAC Name | 2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-3-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxychromen-4-one |
| Canonical SMILES | OC[C@H]1O[C@@H](Oc2c(oc3c(c2=O)c(O)cc(c3)O)c2ccc(c(c2)O)O)[C@@H]([C@H]([C@@H]1O)O)O |
| Standard InCHI | InChI=1S/C21H20O12/c22-6-13-15(27)17(29)18(30)21(32-13)33-20-16(28)14-11(26)4-8(23)5-12(14)31-19(20)7-1-2-9(24)10(25)3-7/h1-5,13,15,17-18,21-27,29-30H,6H2/t13-,15-,17+,18-,21+/m1/s1 |
| Standard InCHIKey | OVSQVDMCBVZWGM-QSOFNFLRSA-N |
| External Identifiers | ChEMBL [CHEMBL250450]; PubChem [5280804]; |
| Reference of Component-Ingredient Pair | 22667148 |
Occurrence of the ingredient across TCM components
| Component ID | Latin Name | Pinyin Name | Chinese Name |
|---|---|---|---|
| TCMH1000 | Foeniculum vulgare | Hui Xiang | 茴香 |
| TCMH101 | Chelidonium majus | Bai Qu Cai | 白屈菜 |
| TCMH1032 | Impatiens balsamina | Ji Xing Zi | 急性子 |
| TCMH1033 | Centella asiatica | Ji Xue Cao | 积雪草 |
| TCMH1127 | Lonicera japonica | Jin Yin Hua | 金银花 |
| TCMH1128 | Lonicera japonica | Jin Yin Hua Ti Qu Ye | 金银花提取液 |
| TCMH1144 | Schizonepetae herba | Jing Jie Tan | 荆芥炭 |
| TCMH1175 | Cornus officinalis | Jiu Yu Rou | 酒萸肉 |
| TCMH1198 | Rostellularia procumbens | Jue Chuang | 爵床 |
| TCMH12 | Artemisia argyi | Ai Ye | 艾叶 |
Showing 1 to 10 of 161 entries
Ingredient ID: 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: TCMC1153
Formula: C9H10O3
Ingredient ID: TCMC1153
| Common Name | Ethylparaben |
| IUPAC Name | ethyl 4-hydroxybenzoate |
| Canonical SMILES | CCOC(=O)c1ccc(cc1)O |
| Standard InCHI | InChI=1S/C9H10O3/c1-2-12-9(11)7-3-5-8(10)6-4-7/h3-6,10H,2H2,1H3 |
| Standard InCHIKey | NUVBSKCKDOMJSU-UHFFFAOYSA-N |
| External Identifiers | ChEMBL [CHEMBL15841]; PubChem [8434]; |
| Reference of Component-Ingredient Pair | N/A |
Occurrence of the ingredient across TCM components
| Component ID | Latin Name | Pinyin Name | Chinese Name |
|---|---|---|---|
| TCMH1316 | Dens draconis | Long Chi | 龙齿 |
| TCMH1430 | Hordeum vulgare | Mai Ya | 麦芽 |
| TCMH1460 | Zanthoxylum nitidum | Mao Liang Mian Zhen | 毛两面针 |
| TCMH1667 | Fagopyrum esculentum | Qiao Mai | 荞麦 |
| TCMH1669 | Radix solani melongenae | Qie Gen | 茄根 |
| TCMH2288 | Herba plantaginis minutae | Xiao Che Qian | 小车前 |
| TCMH298 | Andrographis paniculata | Chuan Xin Lian | 穿心莲 |
| TCMH299 | Andrographis paniculata | Chuan Xin Lian Gan Jin Gao | 穿心莲干浸膏 |
| TCMH300 | Andrographis paniculata | Chuan Xin Lian Jin Gao | 穿心莲浸膏 |
| TCMH302 | Andrographis paniculata | Chuan Xin Lian Nong Suo Ye | 穿心莲浓缩液 |
Showing 1 to 10 of 10 entries
Ingredient ID: TCMC1147
Formula: C6H8O4
Ingredient ID: TCMC1147
| Common Name | Ethyl Fumarate |
| IUPAC Name | (E)-4-ethoxy-4-oxobut-2-enoic acid |
| Canonical SMILES | CCOC(=O)/C=C/C(=O)O |
| Standard InCHI | InChI=1S/C6H8O4/c1-2-10-6(9)4-3-5(7)8/h3-4H,2H2,1H3,(H,7,8)/b4-3+ |
| Standard InCHIKey | XLYMOEINVGRTEX-ONEGZZNKSA-N |
| External Identifiers | ChEMBL [CHEMBL1771637]; PubChem [5358902]; |
| Reference of Component-Ingredient Pair | N/A |
Occurrence of the ingredient across TCM components
| Component ID | Latin Name | Pinyin Name | Chinese Name |
|---|---|---|---|
| TCMH298 | Andrographis paniculata | Chuan Xin Lian | 穿心莲 |
| TCMH299 | Andrographis paniculata | Chuan Xin Lian Gan Jin Gao | 穿心莲干浸膏 |
| TCMH300 | Andrographis paniculata | Chuan Xin Lian Jin Gao | 穿心莲浸膏 |
| TCMH302 | Andrographis paniculata | Chuan Xin Lian Nong Suo Ye | 穿心莲浓缩液 |
| TCMH368 | Herba cirsii japonici | Da Ji Gen | 大蓟根 |
| TCMH369 | Herba cirsii japonici | Da Ji Gen Jin Gao | 大蓟根浸膏 |
| TCMH370 | Herba cirsii japonici | Da Ji(1) | 大蓟 |
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 |
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| TCMC1147 | C6H8O4 | Ethyl Fumarate | 144.04 | 0.2762 | 1.68 | 0.328 | 4 | 1 | 63.6 | 6 | 0 | 10 | 0 |
| TCMC1153 | C9H10O3 | Ethylparaben | 166.06 | -0.1987 | 2.12 | 1.814 | 2 | 1 | 46.53 | 5 | 1 | 12 | 0 |
| TCMC1173 | C10H10O4 | Ferulic Acid | 194.06 | -0.3908 | 2.12 | 1.231 | 2 | 2 | 66.76 | 6 | 1 | 14 | 0 |
| TCMC1409 | C21H20O12 | Isoquercetin | 464.1 | -4.8921 | 2.45 | -0.354 | 7 | 8 | 206.6 | 12 | 4 | 33 | 1 |
| TCMC1516 | C15H10O6 | Luteolin | 286.05 | -2.3448 | 2.45 | 1.033 | 1 | 4 | 107.22 | 5 | 3 | 21 | 0 |
| TCMC1582 | C8H8O3 | Methylparaben | 152.05 | -0.4491 | 2.01 | 1.391 | 2 | 1 | 46.53 | 4 | 1 | 11 | 0 |
| TCMC1830 | C16H32O2 | Palmitic Acid | 256.24 | -3.8977 | 3 | 7.57 | 2 | 1 | 37.3 | 16 | 0 | 18 | 2 |
| TCMC1832 | C16H30O2 | Palmitoleic Acid | 254.22 | -1.7667 | 3 | 7.054 | 2 | 1 | 37.3 | 15 | 0 | 18 | 2 |
| TCMC1855 | C5H12 | Pentane | 72.09 | -0.7614 | 2.01 | 3.185 | 0 | 0 | 0 | 4 | 0 | 5 | 0 |
| TCMC1950 | C10H12O3 | Propylparaben | 180.08 | -0.7765 | 2.23 | 2.172 | 2 | 1 | 46.53 | 6 | 1 | 13 | 0 |
Showing 1 to 10 of 55 entries
Download Data
All data can be downloaded by:→ Selecting data type in the below download table
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