Description of the Component
Component ID |
TCMH1165 |
Latin Name |
Murraya paniculata |
English Name |
Common jasminorange |
Chinese Pinyin Name |
Jiu Li Xiang |
中文名 |
九里香 |
TCM Properties |
|
TCM Meridians |
|
Therapeutic Class English |
Regulation of qi |
Therapeutic Class Chinese |
理气 |
Functions |
promote the flow of qi, relieve pain, resolve blood stasis |
Toxicity |
NA |
Geo-authentic habitats (道地产区) |
NA |
Reference |
Chinese Pharmacopoeia (2015) |
Barcode ID |
ITSAJ1731-14 |
Barcode Source |
BOLDSYSTEMS |
TCM Prescriptions with the Component
| Prescription ID | Prescription English Name | Prescription Chinese Name |
|---|---|---|
| TCMF216 | San Jiu Wei Tai Capsule | 三九胃泰胶囊 |
| TCMF217 | San Jiu Wei Tai Granules | 三九胃泰颗粒 |
| TCMF4414 | Ke Tong Ding | 克痛酊 |
| TCMF5011 | San Jiu Wei Tai Capsules | 三九胃泰胶囊 |
| TCMF5017 | San Jiu Wei Tai Granules | 三九胃泰颗粒 |
| TCMFx3341 | Die Da Bang Yao Wine | 跌打榜药酒 |
| TCMFx3348 | Die Da Feng Shi Wine | 跌打风湿酒 |
| TCMFx4447 | Ke Yang Min Xu | 克痒敏醑 |
| TCMFx4862 | Luo Fu Shan Bai Cao You | 罗浮山百草油 |
| TCMFx5125 | Tong Zhong Ling | 痛肿灵 |
Showing 1 to 10 of 10 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 |
| TCMT11 | HIF1A | Hypoxia-inducible factor 1 alpha | Transcription factor | Q16665 |
| TCMT112 | ADORA3 | Adenosine A3 receptor | GPCR | P0DMS8 |
| TCMT113 | OPRD1 | Delta opioid receptor | GPCR | P41143 |
| TCMT114 | CNR2 | Cannabinoid CB2 receptor | GPCR | P34972 |
| TCMT115 | CNR1 | Cannabinoid CB1 receptor | GPCR | P21554 |
| TCMT116 | OPRM1 | Mu opioid receptor | GPCR | P35372 |
| TCMT117 | OPRK1 | Kappa opioid receptor | GPCR | P41145 |
Showing 1 to 10 of 182 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 |
| TCMT1109 | Reverse transcriptase |
| TCMT1112 | Quinolone resistance protein norA |
| TCMT1121 | Sialidase |
| TCMT1136 | Neuraminidase |
Showing 1 to 10 of 50 entries
Ingredient Structrues
Ingredient ID: TCMC984
Formula: C21H20O9
Ingredient ID: TCMC984
| Common Name | Daidzin |
| IUPAC Name | 3-(4-hydroxyphenyl)-7-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxychromen-4-one |
| Canonical SMILES | OC[C@H]1O[C@@H](Oc2ccc3c(c2)occ(c3=O)c2ccc(cc2)O)[C@@H]([C@H]([C@@H]1O)O)O |
| Standard InCHI | InChI=1S/C21H20O9/c22-8-16-18(25)19(26)20(27)21(30-16)29-12-5-6-13-15(7-12)28-9-14(17(13)24)10-1-3-11(23)4-2-10/h1-7,9,16,18-23,25-27H,8H2/t16-,18-,19+,20-,21-/m1/s1 |
| Standard InCHIKey | KYQZWONCHDNPDP-QNDFHXLGSA-N |
| External Identifiers | ChEMBL [CHEMBL486422]; PubChem [107971]; |
| Reference of Component-Ingredient Pair | 27424125 |
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 |
| TCMH1165 | Murraya paniculata | Jiu Li Xiang | 九里香 |
| TCMH2218 | Rubia cordifolia | Qian Cao Teng | 茜草藤 |
| TCMH2726 | Pterocarpus indicus | Zi Tan | 紫檀 |
| TCMH397 | Glycine max | Dan Dou Gu | 淡豆鼓 |
| TCMH416 | Glycine max | Dan Xiang Chi | 淡香豉 |
| TCMH515 | Glycine max | Dou You | 豆油 |
| TCMH644 | Pueraria lobata | Gan Ge | 干葛 |
Showing 1 to 10 of 14 entries
Ingredient ID: TCMC983
Formula: C15H10O4
Ingredient ID: TCMC983
| Common Name | Daidzein |
| IUPAC Name | 7-hydroxy-3-(4-hydroxyphenyl)chromen-4-one |
| Canonical SMILES | Oc1ccc(cc1)c1coc2c(c1=O)ccc(c2)O |
| Standard InCHI | InChI=1S/C15H10O4/c16-10-3-1-9(2-4-10)13-8-19-14-7-11(17)5-6-12(14)15(13)18/h1-8,16-17H |
| Standard InCHIKey | ZQSIJRDFPHDXIC-UHFFFAOYSA-N |
| External Identifiers | ChEMBL [CHEMBL8145]; PubChem [5281708]; |
| Reference of Component-Ingredient Pair | 29217487 |
Occurrence of the ingredient across TCM components
| Component ID | Latin Name | Pinyin Name | Chinese Name |
|---|---|---|---|
| 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 |
| TCMH1059 | Glycine max | Jiang | 姜 |
| TCMH1062 | Glycine max | Jiang Gao | 姜膏 |
| TCMH1067 | Glycine max | Jiang Tan | 姜炭 |
| TCMH1165 | Murraya paniculata | Jiu Li Xiang | 九里香 |
| TCMH1211 | Melia azedarach | Ku Lian Pi | 苦楝皮 |
| TCMH1212 | Melia azedarach | Ku Lian Zi | 苦楝子 |
| TCMH1475 | Glycyrrhiza uralensis | Mi Gan Cao | 蜜甘草 |
Showing 1 to 10 of 44 entries
Ingredient ID: TCMC951
Formula: C16H18O4
Ingredient ID: TCMC951
| Common Name | Coumurrayin |
| IUPAC Name | 5,7-dimethoxy-8-(3-methylbut-2-enyl)chromen-2-one |
| Canonical SMILES | COc1cc(OC)c2c(c1CC=C(C)C)oc(=O)cc2 |
| Standard InCHI | InChI=1S/C16H18O4/c1-10(2)5-6-11-13(18-3)9-14(19-4)12-7-8-15(17)20-16(11)12/h5,7-9H,6H2,1-4H3 |
| Standard InCHIKey | CPXPWRXPEOMRNV-UHFFFAOYSA-N |
| External Identifiers | ChEMBL [CHEMBL3235998]; PubChem [176911]; |
| Reference of Component-Ingredient Pair | 19112893 |
Occurrence of the ingredient across TCM components
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: 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: TCMC811
Formula: C16H12O5
Ingredient ID: TCMC811
| Common Name | Biochanin |
| IUPAC Name | 5,7-dihydroxy-3-(4-methoxyphenyl)chromen-4-one |
| Canonical SMILES | COc1ccc(cc1)c1coc2c(c1=O)c(O)cc(c2)O |
| Standard InCHI | InChI=1S/C16H12O5/c1-20-11-4-2-9(3-5-11)12-8-21-14-7-10(17)6-13(18)15(14)16(12)19/h2-8,17-18H,1H3 |
| Standard InCHIKey | WUADCCWRTIWANL-UHFFFAOYSA-N |
| External Identifiers | ChEMBL [CHEMBL131921]; PubChem [5280373]; |
| Reference of Component-Ingredient Pair | N/A |
Occurrence of the ingredient across TCM components
| Component ID | Latin Name | Pinyin Name | Chinese Name |
|---|---|---|---|
| TCMH1165 | Murraya paniculata | Jiu Li Xiang | 九里香 |
| TCMH1215 | Sophora flavescens | Ku Shen | 苦参 |
| TCMH1296 | Ganoderma lucidum | Ling Zhi Jin Gao | 灵芝浸膏 |
| TCMH1299 | Ganoderma lucidum | Ling Zhi(1) | 灵芝 |
| TCMH1398 | Ephedra sinica | Ma Huang | 麻黄 |
| TCMH1399 | Ephedra sinica | Ma Huang Gao | 麻黄膏 |
| TCMH1400 | Ephedra sinica | Ma Huang Gen | 麻黄根 |
| TCMH1401 | Ephedra sinica | Ma Huang Jin Gao | 麻黄浸膏 |
| TCMH1486 | Ephedra sinica | Mi Ma Huang | 蜜麻黄 |
| TCMH1537 | Baphicacanthus cusia | Nan Ban Lan Gen | 南板蓝根 |
Showing 1 to 10 of 24 entries
Ingredient ID: TCMC775
Formula: C14H12O2
Ingredient ID: TCMC775
| Common Name | Benzyl Benzoate |
| IUPAC Name | benzyl benzoate |
| Canonical SMILES | O=C(c1ccccc1)OCc1ccccc1 |
| Standard InCHI | InChI=1S/C14H12O2/c15-14(13-9-5-2-6-10-13)16-11-12-7-3-1-4-8-12/h1-10H,11H2 |
| Standard InCHIKey | SESFRYSPDFLNCH-UHFFFAOYSA-N |
| External Identifiers | ChEMBL [CHEMBL1239]; PubChem [2345]; |
| Reference of Component-Ingredient Pair | 22980009 |
Occurrence of the ingredient across TCM components
| Component ID | Latin Name | Pinyin Name | Chinese Name |
|---|---|---|---|
| TCMH1127 | Lonicera japonica | Jin Yin Hua | 金银花 |
| TCMH1128 | Lonicera japonica | Jin Yin Hua Ti Qu Ye | 金银花提取液 |
| TCMH1165 | Murraya paniculata | Jiu Li Xiang | 九里香 |
| TCMH1466 | Rosa rugosa | Mei Gui Hua | 玫瑰花 |
| TCMH1469 | Flos mume | Mei Hua | 梅花 |
| TCMH1520 | Gallus domesticus | Mu Ji | 母鸡 |
| TCMH1665 | Notopterygium incisum | Qiang Huo | 羌活 |
| TCMH1706 | Dianthus superbus | Qu Mai | 瞿麦 |
| TCMH1714 | Lonicera japonica | Ren Dong Teng | 忍冬藤 |
| TCMH1979 | Flos lonicerae | Shuang Hua | 双花 |
Showing 1 to 10 of 18 entries
Ingredient ID: TCMC7285
Formula: C23H25NO
Ingredient ID: TCMC7285
| Common Name | Bicyclomahanimbicine |
| IUPAC Name | (1S,16S,19R,21S)-8,16,20,20-tetramethyl-15-oxa-4-azahexacyclo[14.4.1.02,14.03,11.05,10.019,21]henicosa-2(14),3(11),5(10),6,8,12-hexaene |
| Canonical SMILES | Cc1ccc2c(c1)c1ccc3c(c1[nH]2)[C@H]1[C@H]2[C@](O3)(C)CC[C@H]2C1(C)C |
| Standard InCHI | InChI=1S/C23H25NO/c1-12-5-7-16-14(11-12)13-6-8-17-18(21(13)24-16)20-19-15(22(20,2)3)9-10-23(19,4)25-17/h5-8,11,15,19-20,24H,9-10H2,1-4H3/t15-,19+,20+,23+/m1/s1 |
| Standard InCHIKey | YNDNDGLKKJXJED-IVYXGSQZSA-N |
| External Identifiers | ChEMBL [N/A]; PubChem [102235879]; |
| Reference of Component-Ingredient Pair | 5430362 |
Occurrence of the ingredient across TCM components
Ingredient ID: TCMC7223
Formula: C23H25NO
Ingredient ID: TCMC7223
| Common Name | Cyclomahanimbine |
| IUPAC Name | (1S,16S,19R)-13,16-dimethyl-19-prop-1-en-2-yl-15-oxa-4-azapentacyclo[14.3.1.02,14.03,11.05,10]icosa-2(14),3(11),5,7,9,12-hexaene |
| Canonical SMILES | CC(=C)[C@@H]1CC[C@]2(C[C@@H]1c1c(O2)c(C)cc2c1[nH]c1c2cccc1)C |
| Standard InCHI | InChI=1S/C23H25NO/c1-13(2)15-9-10-23(4)12-18(15)20-21-17(11-14(3)22(20)25-23)16-7-5-6-8-19(16)24-21/h5-8,11,15,18,24H,1,9-10,12H2,2-4H3/t15-,18-,23-/m0/s1 |
| Standard InCHIKey | KXNHNLQCCJZSEK-WIRVKHDMSA-N |
| External Identifiers | ChEMBL [N/A]; PubChem [101820921]; |
| Reference of Component-Ingredient Pair | N/A |
Occurrence of the ingredient across TCM components
Ingredient ID: TCMC6990
Formula: C17H20O5
Ingredient ID: TCMC6990
| Common Name | Murpanicin |
| IUPAC Name | 8-[(1S,2R)-1-ethoxy-2-hydroxy-3-methylbut-3-enyl]-7-methoxychromen-2-one |
| Canonical SMILES | CCO[C@@H](c1c(OC)ccc2c1oc(=O)cc2)[C@@H](C(=C)C)O |
| Standard InCHI | InChI=1S/C17H20O5/c1-5-21-17(15(19)10(2)3)14-12(20-4)8-6-11-7-9-13(18)22-16(11)14/h6-9,15,17,19H,2,5H2,1,3-4H3/t15-,17+/m1/s1 |
| Standard InCHIKey | GDLSTIJVZWVVPB-WBVHZDCISA-N |
| External Identifiers | ChEMBL [N/A]; PubChem [92154811]; |
| Reference of Component-Ingredient Pair | N/A |
Occurrence of the ingredient across TCM components
Ingredient ID: TCMC6938
Formula: C15H16O5
Ingredient ID: TCMC6938
| Common Name | (±)-Murpaniculol |
| IUPAC Name | 8-[(1R)-1-hydroxy-3-methyl-2-oxobutyl]-7-methoxychromen-2-one |
| Canonical SMILES | COc1ccc2c(c1[C@H](C(=O)C(C)C)O)oc(=O)cc2 |
| Standard InCHI | InChI=1S/C15H16O5/c1-8(2)13(17)14(18)12-10(19-3)6-4-9-5-7-11(16)20-15(9)12/h4-8,14,18H,1-3H3/t14-/m1/s1 |
| Standard InCHIKey | QPXQLCIYAJVXPH-CQSZACIVSA-N |
| External Identifiers | ChEMBL [N/A]; PubChem [76764423]; |
| Reference of Component-Ingredient Pair | N/A |
Occurrence of the ingredient across TCM components
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: TCMC668
Formula: C15H26O
Ingredient ID: TCMC668
| Common Name | Alpha-Bisabolol |
| IUPAC Name | (2S)-6-methyl-2-[(1S)-4-methylcyclohex-3-en-1-yl]hept-5-en-2-ol |
| Canonical SMILES | CC(=CCC[C@@]([C@H]1CCC(=CC1)C)(O)C)C |
| Standard InCHI | InChI=1S/C15H26O/c1-12(2)6-5-11-15(4,16)14-9-7-13(3)8-10-14/h6-7,14,16H,5,8-11H2,1-4H3/t14-,15+/m1/s1 |
| Standard InCHIKey | RGZSQWQPBWRIAQ-CABCVRRESA-N |
| External Identifiers | ChEMBL [CHEMBL1096927]; PubChem [442343]; |
| Reference of Component-Ingredient Pair | N/A |
Occurrence of the ingredient across TCM components
| Component ID | Latin Name | Pinyin Name | Chinese Name |
|---|---|---|---|
| TCMH1063 | Curcuma longa | Jiang Huang | 姜黄 |
| TCMH1127 | Lonicera japonica | Jin Yin Hua | 金银花 |
| TCMH1128 | Lonicera japonica | Jin Yin Hua Ti Qu Ye | 金银花提取液 |
| TCMH1165 | Murraya paniculata | Jiu Li Xiang | 九里香 |
| TCMH12 | Artemisia argyi | Ai Ye | 艾叶 |
| TCMH13 | Artemisia argyi | Ai Ye You | 艾叶油 |
| TCMH1437 | Rhododendron dauricum | Man Shan Hong | 满山红 |
| TCMH1714 | Lonicera japonica | Ren Dong Teng | 忍冬藤 |
| TCMH1721 | Panax ginseng | Ren Shen | 人参 |
| TCMH1728 | Panax ginseng | Ren Shen Ye | 人参叶 |
Showing 1 to 10 of 38 entries
Ingredient ID: TCMC6677
Formula: C21H22O9
Ingredient ID: TCMC6677
| Common Name | 4'-Hydroxy-3,5,6,7,3',5'-Hexamethoxyflavone |
| IUPAC Name | 2-(4-hydroxy-3,5-dimethoxyphenyl)-3,5,6,7-tetramethoxychromen-4-one |
| Canonical SMILES | COc1cc2oc(c3cc(OC)c(c(c3)OC)O)c(c(=O)c2c(c1OC)OC)OC |
| Standard InCHI | InChI=1S/C21H22O9/c1-24-12-7-10(8-13(25-2)16(12)22)18-21(29-6)17(23)15-11(30-18)9-14(26-3)19(27-4)20(15)28-5/h7-9,22H,1-6H3 |
| Standard InCHIKey | AODUPPDRCWXZLS-UHFFFAOYSA-N |
| External Identifiers | ChEMBL [N/A]; PubChem [44258049]; |
| Reference of Component-Ingredient Pair | US9669003 |
Occurrence of the ingredient across TCM components
Ingredient ID: TCMC6676
Formula: C21H22O8
Ingredient ID: TCMC6676
| Common Name | 5,6,8,3',4',5'-Hexamethoxyflavone |
| IUPAC Name | 5,6,8-trimethoxy-2-(3,4,5-trimethoxyphenyl)chromen-4-one |
| Canonical SMILES | COc1cc(cc(c1OC)OC)c1cc(=O)c2c(o1)c(OC)cc(c2OC)OC |
| Standard InCHI | InChI=1S/C21H22O8/c1-23-14-7-11(8-15(24-2)19(14)27-5)13-9-12(22)18-20(28-6)16(25-3)10-17(26-4)21(18)29-13/h7-10H,1-6H3 |
| Standard InCHIKey | YSFDTCPVUDPZGB-UHFFFAOYSA-N |
| External Identifiers | ChEMBL [N/A]; PubChem [44257604]; |
| Reference of Component-Ingredient Pair | N/A |
Occurrence of the ingredient across TCM components
Ingredient ID: TCMC6651
Formula: C12H20O2
Ingredient ID: TCMC6651
| Common Name | Dihydrocarveol Acetate |
| IUPAC Name | [(1S,2R,5S)-2-methyl-5-prop-1-en-2-ylcyclohexyl] acetate |
| Canonical SMILES | CC(=O)O[C@H]1C[C@H](CC[C@H]1C)C(=C)C |
| Standard InCHI | InChI=1S/C12H20O2/c1-8(2)11-6-5-9(3)12(7-11)14-10(4)13/h9,11-12H,1,5-7H2,2-4H3/t9-,11+,12+/m1/s1 |
| Standard InCHIKey | TUSIZTVSUSBSQI-USWWRNFRSA-N |
| External Identifiers | ChEMBL [N/A]; PubChem [40488241]; |
| Reference of Component-Ingredient Pair | N/A |
Occurrence of the ingredient across TCM components
Ingredient ID: TCMC6640
Formula: C16H18O5
Ingredient ID: TCMC6640
| Common Name | Albiflorin-2 |
| IUPAC Name | 8-[(1R,2R)-2-hydroxy-1-methoxy-3-methylbut-3-enyl]-7-methoxychromen-2-one |
| Canonical SMILES | CO[C@H](c1c(OC)ccc2c1oc(=O)cc2)[C@@H](C(=C)C)O |
| Standard InCHI | InChI=1S/C16H18O5/c1-9(2)14(18)16(20-4)13-11(19-3)7-5-10-6-8-12(17)21-15(10)13/h5-8,14,16,18H,1H2,2-4H3/t14-,16-/m1/s1 |
| Standard InCHIKey | DBPWCIPDCMVUFT-GDBMZVCRSA-N |
| External Identifiers | ChEMBL [N/A]; PubChem [26183438]; |
| Reference of Component-Ingredient Pair | N/A |
Occurrence of the ingredient across TCM components
Ingredient ID: TCMC6639
Formula: C17H18O6
Ingredient ID: TCMC6639
| Common Name | Hainanmurpanin |
| IUPAC Name | [(1S)-1-(7-methoxy-2-oxochromen-8-yl)-3-methyl-2-oxobutyl] acetate |
| Canonical SMILES | COc1ccc2c(c1[C@@H](C(=O)C(C)C)OC(=O)C)oc(=O)cc2 |
| Standard InCHI | InChI=1S/C17H18O6/c1-9(2)15(20)17(22-10(3)18)14-12(21-4)7-5-11-6-8-13(19)23-16(11)14/h5-9,17H,1-4H3/t17-/m0/s1 |
| Standard InCHIKey | VLHOVPZUSXEINR-KRWDZBQOSA-N |
| External Identifiers | ChEMBL [N/A]; PubChem [26116438]; |
| Reference of Component-Ingredient Pair | N/A |
Occurrence of the ingredient across TCM components
Ingredient ID: TCMC6559
Formula: C23H25NO
Ingredient ID: TCMC6559
| Common Name | Mahanimbidine |
| IUPAC Name | (14R,17S,19S)-3,13,13,17-tetramethyl-21-oxa-12-azahexacyclo[10.7.1.12,17.05,20.06,11.014,19]henicosa-1,3,5(20),6,8,10-hexaene |
| Canonical SMILES | Cc1cc2c3ccccc3n3c2c2c1O[C@@]1(C)CC[C@H]([C@@H]2C1)C3(C)C |
| Standard InCHI | InChI=1S/C23H25NO/c1-13-11-15-14-7-5-6-8-18(14)24-20(15)19-16-12-23(4,25-21(13)19)10-9-17(16)22(24,2)3/h5-8,11,16-17H,9-10,12H2,1-4H3/t16-,17+,23-/m0/s1 |
| Standard InCHIKey | YPSWCORASQDCJM-MFEFFIJZSA-N |
| External Identifiers | ChEMBL [CHEMBL524719]; PubChem [21770913]; |
| Reference of Component-Ingredient Pair | 19943242 |
Occurrence of the ingredient across TCM components
Ingredient ID: TCMC6331
Formula: C14H22
Ingredient ID: TCMC6331
| Common Name | Γ-Caryophyllene |
| IUPAC Name | (1S,4E,8R)-5,9,9-trimethyl-2-methylidenebicyclo[6.2.0]dec-4-ene |
| Canonical SMILES | CC1=CCC(=C)[C@@H]2[C@@H](CC1)C(C2)(C)C |
| Standard InCHI | InChI=1S/C14H22/c1-10-5-7-11(2)12-9-14(3,4)13(12)8-6-10/h5,12-13H,2,6-9H2,1,3-4H3/b10-5-/t12-,13-/m1/s1 |
| Standard InCHIKey | INOSMXBKABLUIL-DCKDXSSCSA-N |
| External Identifiers | ChEMBL [N/A]; PubChem [16667688]; |
| Reference of Component-Ingredient Pair | N/A |
Occurrence of the ingredient across TCM components
| Component ID | Latin Name | Pinyin Name | Chinese Name |
|---|---|---|---|
| TCMH1165 | Murraya paniculata | Jiu Li Xiang | 九里香 |
| TCMH1437 | Rhododendron dauricum | Man Shan Hong | 满山红 |
| TCMH1681 | Artemisia carvifolia | Qing Hao | 青蒿 |
| TCMH183 | Dryobalanops aromatica | Bing Pian | 冰片 |
| TCMH2208 | Lindera strychnifolia | Wu Yao | 乌药 |
| TCMH224 | Thuja orientalis | Ce Bai Ye | 侧柏叶 |
| TCMH486 | Syzygium aromaticum | Ding Xiang | 丁香 |
Showing 1 to 7 of 7 entries
Ingredient ID: TCMC6132
Formula: C15H16O5
Ingredient ID: TCMC6132
| Common Name | Paniculin |
| IUPAC Name | 3-(7-methoxy-2-oxochromen-8-yl)-2,2-dimethylpropanoic acid |
| Canonical SMILES | COc1ccc2c(c1CC(C(=O)[O-])(C)C)oc(=O)cc2 |
| Standard InCHI | InChI=1S/C15H16O5/c1-15(2,14(17)18)8-10-11(19-3)6-4-9-5-7-12(16)20-13(9)10/h4-7H,8H2,1-3H3,(H,17,18)/p-1 |
| Standard InCHIKey | ZQUZRUKMDMKRRB-UHFFFAOYSA-M |
| External Identifiers | ChEMBL [N/A]; PubChem [14285091]; |
| Reference of Component-Ingredient Pair | N/A |
Occurrence of the ingredient across TCM components
Ingredient ID: TCMC6117
Formula: C13H17NO
Ingredient ID: TCMC6117
| Common Name | Paniculidine C |
| IUPAC Name | (2R)-4-(1H-indol-3-yl)-2-methylbutan-1-ol |
| Canonical SMILES | OC[C@@H](CCc1c[nH]c2c1cccc2)C |
| Standard InCHI | InChI=1S/C13H17NO/c1-10(9-15)6-7-11-8-14-13-5-3-2-4-12(11)13/h2-5,8,10,14-15H,6-7,9H2,1H3/t10-/m1/s1 |
| Standard InCHIKey | OJDRKMFRRDQIRV-SNVBAGLBSA-N |
| External Identifiers | ChEMBL [N/A]; PubChem [14193918]; |
| Reference of Component-Ingredient Pair | 15202897 |
Occurrence of the ingredient across TCM components
Ingredient ID: TCMC6111
Formula: C14H17NO2
Ingredient ID: TCMC6111
| Common Name | Paniculidine A |
| IUPAC Name | methyl (2R)-4-(1H-indol-3-yl)-2-methylbutanoate |
| Canonical SMILES | COC(=O)[C@@H](CCc1c[nH]c2c1cccc2)C |
| Standard InCHI | InChI=1S/C14H17NO2/c1-10(14(16)17-2)7-8-11-9-15-13-6-4-3-5-12(11)13/h3-6,9-10,15H,7-8H2,1-2H3/t10-/m1/s1 |
| Standard InCHIKey | OSINFMIOMWBGDS-SNVBAGLBSA-N |
| External Identifiers | ChEMBL [N/A]; PubChem [14166403]; |
| Reference of Component-Ingredient Pair | N/A |
Occurrence of the ingredient across TCM components
Ingredient ID: TCMC6089
Formula: C14H19NO2
Ingredient ID: TCMC6089
| Common Name | Paniculidine B |
| IUPAC Name | (2R)-4-(1-methoxyindol-3-yl)-2-methylbutan-1-ol |
| Canonical SMILES | OC[C@@H](CCc1cn(c2c1cccc2)OC)C |
| Standard InCHI | InChI=1S/C14H19NO2/c1-11(10-16)7-8-12-9-15(17-2)14-6-4-3-5-13(12)14/h3-6,9,11,16H,7-8,10H2,1-2H3/t11-/m1/s1 |
| Standard InCHIKey | FGYVMFMFZWJGDY-LLVKDONJSA-N |
| External Identifiers | ChEMBL [N/A]; PubChem [14070748]; |
| Reference of Component-Ingredient Pair | 15202897 |
Occurrence of the ingredient across TCM components
Ingredient ID: TCMC6063
Formula: C22H24O9
Ingredient ID: TCMC6063
| Common Name | 3,5,6,8,3',4',5'-Heptamethoxy Flavone |
| IUPAC Name | 3,5,6,8-tetramethoxy-2-(3,4,5-trimethoxyphenyl)chromen-4-one |
| Canonical SMILES | COc1cc(cc(c1OC)OC)c1oc2c(OC)cc(c(c2c(=O)c1OC)OC)OC |
| Standard InCHI | InChI=1S/C22H24O9/c1-24-12-8-11(9-13(25-2)19(12)28-5)18-22(30-7)17(23)16-20(29-6)14(26-3)10-15(27-4)21(16)31-18/h8-10H,1-7H3 |
| Standard InCHIKey | GXRYWFOWADTLRN-UHFFFAOYSA-N |
| External Identifiers | ChEMBL [N/A]; PubChem [13983766]; |
| Reference of Component-Ingredient Pair | N/A |
Occurrence of the ingredient across TCM components
Ingredient ID: TCMC6046
Formula: C20H26O6
Ingredient ID: TCMC6046
| Common Name | Murrayatin |
| IUPAC Name | [(2S)-3-hydroxy-1-(7-methoxy-2-oxochromen-8-yl)-3-methylbutan-2-yl] 3-methylbutanoate |
| Canonical SMILES | COc1ccc2c(c1C[C@@H](C(O)(C)C)OC(=O)CC(C)C)oc(=O)cc2 |
| Standard InCHI | InChI=1S/C20H26O6/c1-12(2)10-18(22)25-16(20(3,4)23)11-14-15(24-5)8-6-13-7-9-17(21)26-19(13)14/h6-9,12,16,23H,10-11H2,1-5H3/t16-/m0/s1 |
| Standard InCHIKey | XAKVHDMPRFGESG-INIZCTEOSA-N |
| External Identifiers | ChEMBL [N/A]; PubChem [13917412]; |
| Reference of Component-Ingredient Pair | N/A |
Occurrence of the ingredient across TCM components
Ingredient ID: TCMC6045
Formula: C15H16O5
Ingredient ID: TCMC6045
| Common Name | Erythro-Murrangatin |
| IUPAC Name | 8-[(1S,2R)-1,2-dihydroxy-3-methylbut-3-enyl]-7-methoxychromen-2-one |
| Canonical SMILES | COc1ccc2c(c1[C@@H]([C@@H](C(=C)C)O)O)oc(=O)cc2 |
| Standard InCHI | InChI=1S/C15H16O5/c1-8(2)13(17)14(18)12-10(19-3)6-4-9-5-7-11(16)20-15(9)12/h4-7,13-14,17-18H,1H2,2-3H3/t13-,14+/m1/s1 |
| Standard InCHIKey | DKEANOQWICTXTP-KGLIPLIRSA-N |
| External Identifiers | ChEMBL [N/A]; PubChem [13917407]; |
| Reference of Component-Ingredient Pair | 18470803 |
Occurrence of the ingredient across TCM components
Ingredient ID: TCMC6044
Formula: C15H14O4
Ingredient ID: TCMC6044
| Common Name | Phebalosin |
| IUPAC Name | 7-methoxy-8-[(2S,3S)-3-prop-1-en-2-yloxiran-2-yl]chromen-2-one |
| Canonical SMILES | COc1ccc2c(c1[C@@H]1O[C@H]1C(=C)C)oc(=O)cc2 |
| Standard InCHI | InChI=1S/C15H14O4/c1-8(2)13-15(19-13)12-10(17-3)6-4-9-5-7-11(16)18-14(9)12/h4-7,13,15H,1H2,2-3H3/t13-,15-/m0/s1 |
| Standard InCHIKey | YTDNHMHONBWCBV-ZFWWWQNUSA-N |
| External Identifiers | ChEMBL [N/A]; PubChem [13917405]; |
| Reference of Component-Ingredient Pair | N/A |
Occurrence of the ingredient across TCM components
Ingredient ID: TCMC5588
Formula: C15H24
Ingredient ID: TCMC5588
| Common Name | Aromadendrene |
| IUPAC Name | (1aR,4aR,7R,7aR,7bS)-1,1,7-trimethyl-4-methylidene-2,3,4a,5,6,7,7a,7b-octahydro-1aH-cyclopropa[e]azulene |
| Canonical SMILES | C[C@@H]1CC[C@@H]2[C@@H]1[C@H]1[C@H](C1(C)C)CCC2=C |
| Standard InCHI | InChI=1S/C15H24/c1-9-6-8-12-14(15(12,3)4)13-10(2)5-7-11(9)13/h10-14H,1,5-8H2,2-4H3/t10-,11+,12-,13-,14-/m1/s1 |
| Standard InCHIKey | ITYNGVSTWVVPIC-XVIXHAIJSA-N |
| External Identifiers | ChEMBL [CHEMBL2269083]; PubChem [11095734]; |
| Reference of Component-Ingredient Pair | 23379981 |
Occurrence of the ingredient across TCM components
Ingredient ID: TCMC552
Formula: C21H20O8
Ingredient ID: TCMC552
| Common Name | 5-Hydroxy-9-(4-Hydroxy-3,5-Dimethoxyphenyl)-5A,6,8A,9-Tetrahydro-5H-[2]Benzofuro[5,6-F][1,3]Benzodioxol-8-One |
| IUPAC Name | 5-hydroxy-9-(4-hydroxy-3,5-dimethoxyphenyl)-5a,6,8a,9-tetrahydro-5H-[2]benzofuro[5,6-f][1,3]benzodioxol-8-one |
| Canonical SMILES | COc1cc(cc(c1O)OC)C1C2C(=O)OCC2C(c2c1cc1OCOc1c2)O |
| Standard InCHI | InChI=1S/C21H20O8/c1-25-15-3-9(4-16(26-2)20(15)23)17-10-5-13-14(29-8-28-13)6-11(10)19(22)12-7-27-21(24)18(12)17/h3-6,12,17-19,22-23H,7-8H2,1-2H3 |
| Standard InCHIKey | YVCVYCSAAZQOJI-UHFFFAOYSA-N |
| External Identifiers | ChEMBL [CHEMBL1514122]; PubChem [500181]; |
| Reference of Component-Ingredient Pair | N/A |
Occurrence of the ingredient across TCM components
Ingredient ID: TCMC550
Formula: C19H18O7
Ingredient ID: TCMC550
| Common Name | 5-Hydroxy-6,7,3',4'-Tetramethoxyflavone |
| IUPAC Name | 2-(3,4-dimethoxyphenyl)-5-hydroxy-6,7-dimethoxychromen-4-one |
| Canonical SMILES | COc1ccc(cc1OC)c1cc(=O)c2c(o1)cc(c(c2O)OC)OC |
| Standard InCHI | InChI=1S/C19H18O7/c1-22-12-6-5-10(7-14(12)23-2)13-8-11(20)17-15(26-13)9-16(24-3)19(25-4)18(17)21/h5-9,21H,1-4H3 |
| Standard InCHIKey | QEWSAPKRFOFQIU-UHFFFAOYSA-N |
| External Identifiers | ChEMBL [CHEMBL226508]; PubChem [152430]; |
| Reference of Component-Ingredient Pair | 22980787 |
Occurrence of the ingredient across TCM components
| Component ID | Latin Name | Pinyin Name | Chinese Name |
|---|---|---|---|
| TCMH1146 | Oryza sativa | Jing Mi | 粳米 |
| 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 |
| TCMH13 | Artemisia argyi | Ai Ye You | 艾叶油 |
| TCMH2201 | Securidaca inappendiculata | Wu Wei Teng | 五味藤 |
| TCMH2452 | Chrysanthemum indicum | Ye Ju Hua | 野菊花 |
| TCMH863 | Salvia prionitis | Hong Gen Cao | 红根草 |
Showing 1 to 9 of 9 entries
Ingredient ID: TCMC542
Formula: C20H20O8
Ingredient ID: TCMC542
| Common Name | 5-Demethylnobiletin |
| IUPAC Name | 2-(3,4-dimethoxyphenyl)-5-hydroxy-6,7,8-trimethoxychromen-4-one |
| Canonical SMILES | COc1cc(ccc1OC)c1cc(=O)c2c(o1)c(OC)c(c(c2O)OC)OC |
| Standard InCHI | InChI=1S/C20H20O8/c1-23-12-7-6-10(8-14(12)24-2)13-9-11(21)15-16(22)18(25-3)20(27-5)19(26-4)17(15)28-13/h6-9,22H,1-5H3 |
| Standard InCHIKey | DOFJNFPSMUCECH-UHFFFAOYSA-N |
| External Identifiers | ChEMBL [CHEMBL75978]; PubChem [358832]; |
| Reference of Component-Ingredient Pair | N/A |
Occurrence of the ingredient across TCM components
| Component ID | Latin Name | Pinyin Name | Chinese Name |
|---|---|---|---|
| TCMH1165 | Murraya paniculata | Jiu Li Xiang | 九里香 |
| TCMH1178 | Citrus reticulata | Ju He | 橘核 |
| TCMH1184 | Citrus reticulata | Ju Pi | 橘皮 |
| TCMH2201 | Securidaca inappendiculata | Wu Wei Teng | 五味藤 |
| TCMH253 | Citrus aurantium | Cheng Pi | 橙皮 |
| TCMH2613 | Citrus aurantium | Zhi Geng | 枳梗 |
| TCMH2618 | Citrus aurantium | Zhi Ke | 枳壳 |
| TCMH2619 | Citrus aurantium | Zhi Ke Gan Jin Gao | 枳壳干浸膏 |
| TCMH2630 | Citrus aurantium | Zhi Shi | 枳实 |
| TCMH278 | Juncus effusus | Chuan Deng Xin Cao | 川灯心草 |
Showing 1 to 10 of 11 entries
Ingredient ID: TCMC5347
Formula: C10H16
Ingredient ID: TCMC5347
| Common Name | Β-Pinene |
| IUPAC Name | (1R,5R)-6,6-dimethyl-2-methylidenebicyclo[3.1.1]heptane |
| Canonical SMILES | C=C1CC[C@@H]2C[C@H]1C2(C)C |
| Standard InCHI | InChI=1S/C10H16/c1-7-4-5-8-6-9(7)10(8,2)3/h8-9H,1,4-6H2,2-3H3/t8-,9-/m1/s1 |
| Standard InCHIKey | WTARULDDTDQWMU-RKDXNWHRSA-N |
| External Identifiers | ChEMBL [CHEMBL2269085]; PubChem [10290825]; |
| Reference of Component-Ingredient Pair | 12926889 |
Occurrence of the ingredient across TCM components
Ingredient ID: TCMC5040
Formula: C19H17NO3
Ingredient ID: TCMC5040
| Common Name | N-Demethyl-Acronycine |
| IUPAC Name | 6-methoxy-3,3-dimethyl-12H-pyrano[2,3-c]acridin-7-one |
| Canonical SMILES | COc1cc2OC(C)(C)C=Cc2c2c1c(=O)c1c([nH]2)cccc1 |
| Standard InCHI | InChI=1S/C19H17NO3/c1-19(2)9-8-12-14(23-19)10-15(22-3)16-17(12)20-13-7-5-4-6-11(13)18(16)21/h4-10H,1-3H3,(H,20,21) |
| Standard InCHIKey | NEYQKEUFRBPEJP-UHFFFAOYSA-N |
| External Identifiers | ChEMBL [CHEMBL454827]; PubChem [6325047]; |
| Reference of Component-Ingredient Pair | 18806949 |
Occurrence of the ingredient across TCM components
Ingredient ID: TCMC4997
Formula: C18H15NO3
Ingredient ID: TCMC4997
| Common Name | N-Demethylnoracronycine |
| IUPAC Name | 6-hydroxy-3,3-dimethyl-12H-pyrano[2,3-c]acridin-7-one |
| Canonical SMILES | Oc1cc2OC(C)(C)C=Cc2c2c1c(=O)c1c([nH]2)cccc1 |
| Standard InCHI | InChI=1S/C18H15NO3/c1-18(2)8-7-11-14(22-18)9-13(20)15-16(11)19-12-6-4-3-5-10(12)17(15)21/h3-9,20H,1-2H3,(H,19,21) |
| Standard InCHIKey | RPWNPBFZWFWZNJ-UHFFFAOYSA-N |
| External Identifiers | ChEMBL [CHEMBL454569]; PubChem [5479541]; |
| Reference of Component-Ingredient Pair | 18806949 |
Occurrence of the ingredient across TCM components
Ingredient ID: TCMC4812
Formula: C19H17NO3
Ingredient ID: TCMC4812
| Common Name | Noracronycine |
| IUPAC Name | 6-hydroxy-3,3,12-trimethylpyrano[2,3-c]acridin-7-one |
| Canonical SMILES | Oc1cc2OC(C)(C)C=Cc2c2c1c(=O)c1c(n2C)cccc1 |
| Standard InCHI | InChI=1S/C19H17NO3/c1-19(2)9-8-12-15(23-19)10-14(21)16-17(12)20(3)13-7-5-4-6-11(13)18(16)22/h4-10,21H,1-3H3 |
| Standard InCHIKey | CBXBWBNEFPNSDO-UHFFFAOYSA-N |
| External Identifiers | ChEMBL [CHEMBL509922]; PubChem [5320199]; |
| Reference of Component-Ingredient Pair | 18806949 |
Occurrence of the ingredient across TCM components
Ingredient ID: TCMC4795
Formula: C15H14O4
Ingredient ID: TCMC4795
| Common Name | Murrayone |
| IUPAC Name | 7-methoxy-8-(3-methyl-2-oxobut-3-enyl)chromen-2-one |
| Canonical SMILES | COc1ccc2c(c1CC(=O)C(=C)C)oc(=O)cc2 |
| Standard InCHI | InChI=1S/C15H14O4/c1-9(2)12(16)8-11-13(18-3)6-4-10-5-7-14(17)19-15(10)11/h4-7H,1,8H2,2-3H3 |
| Standard InCHIKey | IISMOXLSZASLDD-UHFFFAOYSA-N |
| External Identifiers | ChEMBL [N/A]; PubChem [5319964]; |
| Reference of Component-Ingredient Pair | N/A |
Occurrence of the ingredient across TCM components
Ingredient ID: TCMC4778
Formula: C15H12O5
Ingredient ID: TCMC4778
| Common Name | Microminutin |
| IUPAC Name | 7-methoxy-8-(3-methyl-5-oxo-2H-furan-4-yl)chromen-2-one |
| Canonical SMILES | COc1ccc2c(c1C1=C(C)COC1=O)oc(=O)cc2 |
| Standard InCHI | InChI=1S/C15H12O5/c1-8-7-19-15(17)12(8)13-10(18-2)5-3-9-4-6-11(16)20-14(9)13/h3-6H,7H2,1-2H3 |
| Standard InCHIKey | AZYVCLJYWIHOAD-UHFFFAOYSA-N |
| External Identifiers | ChEMBL [CHEMBL156967]; PubChem [5319827]; |
| Reference of Component-Ingredient Pair | 21544717 |
Occurrence of the ingredient across TCM components
Ingredient ID: TCMC4728
Formula: C15H16O4
Ingredient ID: TCMC4728
| Common Name | 7-Methoxy-8-(2'-Formyl-2'-Methylpropyl) Coumarin |
| IUPAC Name | 3-(7-methoxy-2-oxochromen-8-yl)-2,2-dimethylpropanal |
| Canonical SMILES | O=CC(Cc1c(OC)ccc2c1oc(=O)cc2)(C)C |
| Standard InCHI | InChI=1S/C15H16O4/c1-15(2,9-16)8-11-12(18-3)6-4-10-5-7-13(17)19-14(10)11/h4-7,9H,8H2,1-3H3 |
| Standard InCHIKey | VCYVDHAWDPDCKW-UHFFFAOYSA-N |
| External Identifiers | ChEMBL [N/A]; PubChem [5319433]; |
| Reference of Component-Ingredient Pair | N/A |
Occurrence of the ingredient across TCM components
Ingredient ID: TCMC4610
Formula: C22H24O9
Ingredient ID: TCMC4610
| Common Name | 3,5,7,8,3',4',5'--Heptamethoxyflavone |
| IUPAC Name | 3,5,7,8-tetramethoxy-2-(3,4,5-trimethoxyphenyl)chromen-4-one |
| Canonical SMILES | COc1cc(cc(c1OC)OC)c1oc2c(OC)c(OC)cc(c2c(=O)c1OC)OC |
| Standard InCHI | InChI=1S/C22H24O9/c1-24-12-10-15(27-4)20(29-6)21-16(12)17(23)22(30-7)18(31-21)11-8-13(25-2)19(28-5)14(9-11)26-3/h8-10H,1-7H3 |
| Standard InCHIKey | AFQWYRUBZJYCIF-UHFFFAOYSA-N |
| External Identifiers | ChEMBL [N/A]; PubChem [5318050]; |
| Reference of Component-Ingredient Pair | 21462074 |
Occurrence of the ingredient across TCM components
Ingredient ID: TCMC4521
Formula: C16H18O5
Ingredient ID: TCMC4521
| Common Name | 5,7-Dimethoxy-8-(3'-Methyl-2'-Oxobutyl)Coumarin |
| IUPAC Name | 5,7-dimethoxy-8-(3-methyl-2-oxobutyl)chromen-2-one |
| Canonical SMILES | COc1cc(OC)c2c(c1CC(=O)C(C)C)oc(=O)cc2 |
| Standard InCHI | InChI=1S/C16H18O5/c1-9(2)12(17)7-11-14(20-4)8-13(19-3)10-5-6-15(18)21-16(10)11/h5-6,8-9H,7H2,1-4H3 |
| Standard InCHIKey | ISXFUPHLGNGMIC-UHFFFAOYSA-N |
| External Identifiers | ChEMBL [CHEMBL3426662]; PubChem [5316871]; |
| Reference of Component-Ingredient Pair | 12898423 |
Occurrence of the ingredient across TCM components
Ingredient ID: TCMC4520
Formula: C16H18O5
Ingredient ID: TCMC4520
| Common Name | 5,6-Dimethoxy-8-(3'-Methyl-2'-Oxobutyl) Coumarin |
| IUPAC Name | 5,6-dimethoxy-8-(3-methyl-2-oxobutyl)chromen-2-one |
| Canonical SMILES | COc1cc(CC(=O)C(C)C)c2c(c1OC)ccc(=O)o2 |
| Standard InCHI | InChI=1S/C16H18O5/c1-9(2)12(17)7-10-8-13(19-3)16(20-4)11-5-6-14(18)21-15(10)11/h5-6,8-9H,7H2,1-4H3 |
| Standard InCHIKey | HMZJJKMPHITCIE-UHFFFAOYSA-N |
| External Identifiers | ChEMBL [N/A]; PubChem [5316869]; |
| Reference of Component-Ingredient Pair | N/A |
Occurrence of the ingredient across TCM components
Ingredient ID: TCMC4336
Formula: C15H24
Ingredient ID: TCMC4336
| Common Name | (1R,9S)-4,11,11-Trimethyl-8-Methylenebicyclo[7.2.0]Undec-4-Ene,Caryophellene,Β-Caryophyllene |
| IUPAC Name | (1R,4E,9S)-4,11,11-trimethyl-8-methylidenebicyclo[7.2.0]undec-4-ene |
| Canonical SMILES | C/C/1=CCCC(=C)[C@@H]2[C@@H](CC1)C(C2)(C)C |
| Standard InCHI | InChI=1S/C15H24/c1-11-6-5-7-12(2)13-10-15(3,4)14(13)9-8-11/h6,13-14H,2,5,7-10H2,1,3-4H3/b11-6+/t13-,14-/m1/s1 |
| Standard InCHIKey | NPNUFJAVOOONJE-GFUGXAQUSA-N |
| External Identifiers | ChEMBL [CHEMBL445740]; PubChem [5281515]; |
| Reference of Component-Ingredient Pair | 22945026 |
Occurrence of the ingredient across TCM components
| Component ID | Latin Name | Pinyin Name | Chinese Name |
|---|---|---|---|
| TCMH1141 | Schizonepeta tenuifolia | Jing Jie | 荆芥 |
| TCMH1165 | Murraya paniculata | Jiu Li Xiang | 九里香 |
| TCMH12 | Artemisia argyi | Ai Ye | 艾叶 |
| TCMH1437 | Rhododendron dauricum | Man Shan Hong | 满山红 |
| TCMH144 | Herba artemisiae anomalae | Bei Liu Ji Nu | 北刘寄奴 |
| TCMH1681 | Artemisia carvifolia | Qing Hao | 青蒿 |
| TCMH1721 | Panax ginseng | Ren Shen | 人参 |
| TCMH1768 | Panax notoginseng | San Qi | 三七 |
| TCMH1803 | Amomum villosum | Sha Ren | 砂仁 |
| TCMH183 | Dryobalanops aromatica | Bing Pian | 冰片 |
Showing 1 to 10 of 25 entries
Ingredient ID: TCMC4285
Formula: C13H20O3
Ingredient ID: TCMC4285
| Common Name | Vomifoliol |
| IUPAC Name | (4S)-4-hydroxy-4-[(E,3R)-3-hydroxybut-1-enyl]-3,5,5-trimethylcyclohex-2-en-1-one |
| Canonical SMILES | C[C@H](/C=C/[C@@]1(O)C(=CC(=O)CC1(C)C)C)O |
| Standard InCHI | InChI=1S/C13H20O3/c1-9-7-11(15)8-12(3,4)13(9,16)6-5-10(2)14/h5-7,10,14,16H,8H2,1-4H3/b6-5+/t10-,13-/m1/s1 |
| Standard InCHIKey | KPQMCAKZRXOZLB-KOIHBYQTSA-N |
| External Identifiers | ChEMBL [CHEMBL463088]; PubChem [5280462]; |
| Reference of Component-Ingredient Pair | 24879904 |
Occurrence of the ingredient across TCM components
Ingredient ID: TCMC4188
Formula: C10H14O
Ingredient ID: TCMC4188
| Common Name | Perillaldehyde |
| IUPAC Name | (4S)-4-prop-1-en-2-ylcyclohexene-1-carbaldehyde |
| Canonical SMILES | O=CC1=CC[C@H](CC1)C(=C)C |
| Standard InCHI | InChI=1S/C10H14O/c1-8(2)10-5-3-9(7-11)4-6-10/h3,7,10H,1,4-6H2,2H3/t10-/m1/s1 |
| Standard InCHIKey | RUMOYJJNUMEFDD-SNVBAGLBSA-N |
| External Identifiers | ChEMBL [CHEMBL442913]; PubChem [2724159]; |
| Reference of Component-Ingredient Pair | 17256996 |
Occurrence of the ingredient across TCM components
Ingredient ID: TCMC4155
Formula: C15H18O5
Ingredient ID: TCMC4155
| Common Name | Meranzin Hydrate |
| IUPAC Name | 8-[(2S)-2,3-dihydroxy-3-methylbutyl]-7-methoxychromen-2-one |
| Canonical SMILES | COc1ccc2c(c1C[C@@H](C(O)(C)C)O)oc(=O)cc2 |
| Standard InCHI | InChI=1S/C15H18O5/c1-15(2,18)12(16)8-10-11(19-3)6-4-9-5-7-13(17)20-14(9)10/h4-7,12,16,18H,8H2,1-3H3/t12-/m0/s1 |
| Standard InCHIKey | KGGUASRIGLRPAX-LBPRGKRZSA-N |
| External Identifiers | ChEMBL [N/A]; PubChem [821434]; |
| Reference of Component-Ingredient Pair | N/A |
Occurrence of the ingredient across TCM components
Ingredient ID: TCMC4154
Formula: C16H20O6
Ingredient ID: TCMC4154
| Common Name | Isomexoticin |
| IUPAC Name | 8-[(2S)-2,3-dihydroxy-3-methylbutyl]-5,7-dimethoxychromen-2-one |
| Canonical SMILES | COc1cc(OC)c2c(c1C[C@@H](C(O)(C)C)O)oc(=O)cc2 |
| Standard InCHI | InChI=1S/C16H20O6/c1-16(2,19)13(17)7-10-12(21-4)8-11(20-3)9-5-6-14(18)22-15(9)10/h5-6,8,13,17,19H,7H2,1-4H3/t13-/m0/s1 |
| Standard InCHIKey | JVCJUTNJQMKKCK-ZDUSSCGKSA-N |
| External Identifiers | ChEMBL [N/A]; PubChem [821399]; |
| Reference of Component-Ingredient Pair | N/A |
Occurrence of the ingredient across TCM components
Ingredient ID: TCMC4067
Formula: C21H22O8
Ingredient ID: TCMC4067
| Common Name | Bannamurpanisin |
| IUPAC Name | 5,7,8-trimethoxy-2-(3,4,5-trimethoxyphenyl)chromen-4-one |
| Canonical SMILES | COc1cc(cc(c1OC)OC)c1cc(=O)c2c(o1)c(OC)c(cc2OC)OC |
| Standard InCHI | InChI=1S/C21H22O8/c1-23-14-10-17(26-4)20(28-6)21-18(14)12(22)9-13(29-21)11-7-15(24-2)19(27-5)16(8-11)25-3/h7-10H,1-6H3 |
| Standard InCHIKey | QLVJRZMVFHRFAV-UHFFFAOYSA-N |
| External Identifiers | ChEMBL [N/A]; PubChem [633619]; |
| Reference of Component-Ingredient Pair | N/A |
Occurrence of the ingredient across TCM components
Ingredient ID: TCMC3988
Formula: C20H20O7
Ingredient ID: TCMC3988
| Common Name | 5,7,3',4',5'-Pentamethoxyflavone |
| IUPAC Name | 5,7-dimethoxy-2-(3,4,5-trimethoxyphenyl)chromen-4-one |
| Canonical SMILES | COc1cc(OC)c2c(c1)oc(cc2=O)c1cc(OC)c(c(c1)OC)OC |
| Standard InCHI | InChI=1S/C20H20O7/c1-22-12-8-15(23-2)19-13(21)10-14(27-16(19)9-12)11-6-17(24-3)20(26-5)18(7-11)25-4/h6-10H,1-5H3 |
| Standard InCHIKey | GIKVSFNAEBQLGB-UHFFFAOYSA-N |
| External Identifiers | ChEMBL [CHEMBL2074901]; PubChem [493376]; |
| Reference of Component-Ingredient Pair | 19695862 |
Occurrence of the ingredient across TCM components
Ingredient ID: TCMC3977
Formula: C15H16O4
Ingredient ID: TCMC3977
| Common Name | Isomeramazin |
| IUPAC Name | 7-methoxy-8-(3-methyl-2-oxobutyl)chromen-2-one |
| Canonical SMILES | COc1ccc2c(c1CC(=O)C(C)C)oc(=O)cc2 |
| Standard InCHI | InChI=1S/C15H16O4/c1-9(2)12(16)8-11-13(18-3)6-4-10-5-7-14(17)19-15(10)11/h4-7,9H,8H2,1-3H3 |
| Standard InCHIKey | OMOYQLRHKFGVGN-UHFFFAOYSA-N |
| External Identifiers | ChEMBL [CHEMBL1718459]; PubChem [473252]; |
| Reference of Component-Ingredient Pair | 27285671 |
Occurrence of the ingredient across TCM components
Ingredient ID: TCMC3900
Formula: C10H16O
Ingredient ID: TCMC3900
| Common Name | Pulegone |
| IUPAC Name | (5R)-5-methyl-2-propan-2-ylidenecyclohexan-1-one |
| Canonical SMILES | C[C@@H]1CCC(=C(C)C)C(=O)C1 |
| Standard InCHI | InChI=1S/C10H16O/c1-7(2)9-5-4-8(3)6-10(9)11/h8H,4-6H2,1-3H3/t8-/m1/s1 |
| Standard InCHIKey | NZGWDASTMWDZIW-MRVPVSSYSA-N |
| External Identifiers | ChEMBL [CHEMBL2924219]; PubChem [442495]; |
| Reference of Component-Ingredient Pair | 22953891 |
Occurrence of the ingredient across TCM components
| Component ID | Latin Name | Pinyin Name | Chinese Name |
|---|---|---|---|
| TCMH1114 | Herba glechomae longitubae | Jin Qian Cao | 金钱草 |
| TCMH1141 | Schizonepeta tenuifolia | Jing Jie | 荆芥 |
| TCMH1165 | Murraya paniculata | Jiu Li Xiang | 九里香 |
| TCMH2241 | Panax quinquefolium | Xi Yang Shen | 西洋参 |
| TCMH228 | Bupleurum chinense | Chai Hu | 柴胡 |
Showing 1 to 5 of 5 entries
Ingredient ID: TCMC3898
Formula: C10H16
Ingredient ID: TCMC3898
| Common Name | Carene-3 |
| IUPAC Name | (1R,6S)-3,7,7-trimethylbicyclo[4.1.0]hept-3-ene |
| Canonical SMILES | CC1=CC[C@H]2[C@@H](C1)C2(C)C |
| Standard InCHI | InChI=1S/C10H16/c1-7-4-5-8-9(6-7)10(8,2)3/h4,8-9H,5-6H2,1-3H3/t8-,9+/m0/s1 |
| Standard InCHIKey | BQOFWKZOCNGFEC-DTWKUNHWSA-N |
| External Identifiers | ChEMBL [N/A]; PubChem [442461]; |
| Reference of Component-Ingredient Pair | 29679267 |
Occurrence of the ingredient across TCM components
Ingredient ID: TCMC3825
Formula: C10H16
Ingredient ID: TCMC3825
| Common Name | Α-Pinene |
| IUPAC Name | (1S,5S)-2,6,6-trimethylbicyclo[3.1.1]hept-2-ene |
| Canonical SMILES | CC1=CC[C@H]2C[C@@H]1C2(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/t8-,9-/m0/s1 |
| Standard InCHIKey | GRWFGVWFFZKLTI-IUCAKERBSA-N |
| External Identifiers | ChEMBL [CHEMBL3109297]; PubChem [440968]; |
| Reference of Component-Ingredient Pair | 19067113 |
Occurrence of the ingredient across TCM components
| Component ID | Latin Name | Pinyin Name | Chinese Name |
|---|---|---|---|
| TCMH1127 | Lonicera japonica | Jin Yin Hua | 金银花 |
| TCMH1141 | Schizonepeta tenuifolia | Jing Jie | 荆芥 |
| TCMH1165 | Murraya paniculata | Jiu Li Xiang | 九里香 |
| TCMH1272 | Forsythia suspensa | Lian Qiao | 连翘 |
| TCMH1397 | Aristolochia debilis | Ma Dou Ling | 马兜铃 |
| TCMH1617 | Eriobotrya japonica thunb | Pi Pa Ye | 枇杷叶 |
| TCMH1665 | Notopterygium incisum | Qiang Huo | 羌活 |
| TCMH1695 | Pericarpium citri reticulatae viride | Qing Pi | 青皮 |
| TCMH1741 | Myristica fragrans | Rou Dou Kou | 肉豆蔻 |
| TCMH188 | Mentha haplocalyx | Bo He | 薄荷 |
Showing 1 to 10 of 19 entries
Ingredient ID: TCMC38
Formula: C19H21NO4
Ingredient ID: TCMC38
| Common Name | (13Ar)-3,10-Dimethoxy-6,8,13,13A-Tetrahydro-5H-Isoquinolino[2,1-B]Isoquinoline-2,9-Diol |
| IUPAC Name | (13aR)-3,10-dimethoxy-6,8,13,13a-tetrahydro-5H-isoquinolino[2,1-b]isoquinoline-2,9-diol |
| Canonical SMILES | COc1cc2CCN3[C@@H](c2cc1O)Cc1c(C3)c(O)c(cc1)OC |
| Standard InCHI | InChI=1S/C19H21NO4/c1-23-17-4-3-11-7-15-13-9-16(21)18(24-2)8-12(13)5-6-20(15)10-14(11)19(17)22/h3-4,8-9,15,21-22H,5-7,10H2,1-2H3/t15-/m1/s1 |
| Standard InCHIKey | KNWVMRVOBAFFMH-OAHLLOKOSA-N |
| External Identifiers | ChEMBL [CHEMBL1395394]; PubChem [1152279]; |
| Reference of Component-Ingredient Pair | N/A |
Occurrence of the ingredient across TCM components
| Component ID | Latin Name | Pinyin Name | Chinese Name |
|---|---|---|---|
| TCMH1165 | Murraya paniculata | Jiu Li Xiang | 九里香 |
| TCMH1205 | Corydalis bungeana | Ku Di Ding | 苦地丁 |
| TCMH1489 | Papaver somniferum | Mi Ying Su Ke | 蜜罂粟壳 |
| TCMH2376 | Corydalis yanhusuo | Yan Hu Suo | 延胡索 |
| TCMH2514 | Papaver somniferum | Ying Su | 罂粟 |
| TCMH2515 | Papaver somniferum | Ying Su Ke | 罂粟壳 |
| TCMH444 | Corydalis bungeana | Di Ding | 地丁 |
| TCMH482 | Erycibe obtusifolia | Ding Gong Teng | 丁公藤 |
| TCMH811 | Lamprocapnos spectabilis | He Bao Cao | 荷包草 |
Showing 1 to 9 of 9 entries
Ingredient ID: TCMC3791
Formula: C23H26O10
Ingredient ID: TCMC3791
| Common Name | Exoticin |
| IUPAC Name | 3,5,6,7,8-pentamethoxy-2-(3,4,5-trimethoxyphenyl)chromen-4-one |
| Canonical SMILES | COc1c(OC)cc(cc1OC)c1oc2c(OC)c(OC)c(c(c2c(=O)c1OC)OC)OC |
| Standard InCHI | InChI=1S/C23H26O10/c1-25-12-9-11(10-13(26-2)17(12)27-3)16-20(29-5)15(24)14-18(28-4)21(30-6)23(32-8)22(31-7)19(14)33-16/h9-10H,1-8H3 |
| Standard InCHIKey | XOMNGQLSQXRGSF-UHFFFAOYSA-N |
| External Identifiers | ChEMBL [N/A]; PubChem [389000]; |
| Reference of Component-Ingredient Pair | N/A |
Occurrence of the ingredient across TCM components
Ingredient ID: TCMC3785
Formula: C10H16O
Ingredient ID: TCMC3785
| Common Name | Perillyl Alcohol |
| IUPAC Name | [(4S)-4-prop-1-en-2-ylcyclohexen-1-yl]methanol |
| Canonical SMILES | OCC1=CC[C@H](CC1)C(=C)C |
| Standard InCHI | InChI=1S/C10H16O/c1-8(2)10-5-3-9(7-11)4-6-10/h3,10-11H,1,4-7H2,2H3/t10-/m1/s1 |
| Standard InCHIKey | NDTYTMIUWGWIMO-SNVBAGLBSA-N |
| External Identifiers | ChEMBL [CHEMBL236687]; PubChem [369312]; |
| Reference of Component-Ingredient Pair | 19458919 |
Occurrence of the ingredient across TCM components
Ingredient ID: TCMC3775
Formula: C20H19NO3
Ingredient ID: TCMC3775
| Common Name | Acronycine |
| IUPAC Name | 6-methoxy-3,3,12-trimethylpyrano[2,3-c]acridin-7-one |
| Canonical SMILES | COc1cc2OC(C)(C)C=Cc2c2c1c(=O)c1c(n2C)cccc1 |
| Standard InCHI | InChI=1S/C20H19NO3/c1-20(2)10-9-13-15(24-20)11-16(23-4)17-18(13)21(3)14-8-6-5-7-12(14)19(17)22/h5-11H,1-4H3 |
| Standard InCHIKey | SMPZPKRDRQOOHT-UHFFFAOYSA-N |
| External Identifiers | ChEMBL [CHEMBL285852]; PubChem [345512]; |
| Reference of Component-Ingredient Pair | 21673977 |
Occurrence of the ingredient across TCM components
Ingredient ID: TCMC3694
Formula: C21H22O8
Ingredient ID: TCMC3694
| Common Name | 5,6,7,3',4',5'-Hexamethoxyflavone |
| IUPAC Name | 5,6,7-trimethoxy-2-(3,4,5-trimethoxyphenyl)chromen-4-one |
| Canonical SMILES | COc1c(OC)cc(cc1OC)c1cc(=O)c2c(o1)cc(c(c2OC)OC)OC |
| Standard InCHI | InChI=1S/C21H22O8/c1-23-15-7-11(8-16(24-2)19(15)26-4)13-9-12(22)18-14(29-13)10-17(25-3)20(27-5)21(18)28-6/h7-10H,1-6H3 |
| Standard InCHIKey | DYDFNKUHYXHWFM-UHFFFAOYSA-N |
| External Identifiers | ChEMBL [CHEMBL370963]; PubChem [185670]; |
| Reference of Component-Ingredient Pair | 21941894 |
Occurrence of the ingredient across TCM components
Ingredient ID: TCMC3671
Formula: C15H16O5
Ingredient ID: TCMC3671
| Common Name | (S)-Murpanidin |
| IUPAC Name | 8-[(1R,2R)-1,2-dihydroxy-3-methylbut-3-enyl]-7-methoxychromen-2-one |
| Canonical SMILES | COc1ccc2c(c1[C@H]([C@@H](C(=C)C)O)O)oc(=O)cc2 |
| Standard InCHI | InChI=1S/C15H16O5/c1-8(2)13(17)14(18)12-10(19-3)6-4-9-5-7-11(16)20-15(9)12/h4-7,13-14,17-18H,1H2,2-3H3/t13-,14-/m1/s1 |
| Standard InCHIKey | DKEANOQWICTXTP-ZIAGYGMSSA-N |
| External Identifiers | ChEMBL [N/A]; PubChem [180297]; |
| Reference of Component-Ingredient Pair | 25920269 |
Occurrence of the ingredient across TCM components
Ingredient ID: TCMC3460
Formula: C26H26N2
Ingredient ID: TCMC3460
| Common Name | Yuehchukene |
| IUPAC Name | (6S,6aS,10aR)-6-(1H-indol-3-yl)-7,7,9-trimethyl-6,6a,8,10a-tetrahydro-5H-indeno[2,1-b]indole |
| Canonical SMILES | CC1=C[C@H]2c3c4ccccc4[nH]c3[C@@H]([C@H]2C(C1)(C)C)c1c[nH]c2c1cccc2 |
| Standard InCHI | InChI=1S/C26H26N2/c1-15-12-18-22-17-9-5-7-11-21(17)28-25(22)23(24(18)26(2,3)13-15)19-14-27-20-10-6-4-8-16(19)20/h4-12,14,18,23-24,27-28H,13H2,1-3H3/t18-,23+,24-/m0/s1 |
| Standard InCHIKey | CZJCZWZKBWLSQX-GLYQVZKVSA-N |
| External Identifiers | ChEMBL [N/A]; PubChem [126009]; |
| Reference of Component-Ingredient Pair | N/A |
Occurrence of the ingredient across TCM components
Ingredient ID: TCMC3393
Formula: C10H20O
Ingredient ID: TCMC3393
| Common Name | Citronellol |
| IUPAC Name | (3R)-3,7-dimethyloct-6-en-1-ol |
| Canonical SMILES | OCC[C@@H](CCC=C(C)C)C |
| Standard InCHI | InChI=1S/C10H20O/c1-9(2)5-4-6-10(3)7-8-11/h5,10-11H,4,6-8H2,1-3H3/t10-/m1/s1 |
| Standard InCHIKey | QMVPMAAFGQKVCJ-SNVBAGLBSA-N |
| External Identifiers | ChEMBL [CHEMBL1907993]; PubChem [101977]; |
| Reference of Component-Ingredient Pair | 22945026 |
Occurrence of the ingredient across TCM components
| Component ID | Latin Name | Pinyin Name | Chinese Name |
|---|---|---|---|
| TCMH1127 | Lonicera japonica | Jin Yin Hua | 金银花 |
| TCMH1165 | Murraya paniculata | Jiu Li Xiang | 九里香 |
| TCMH1466 | Rosa rugosa | Mei Gui Hua | 玫瑰花 |
| TCMH1903 | Zingiber officinale | Sheng Jiang | 生姜 |
| TCMH2202 | Schisandra chinensis | Wu Wei Zi | 五味子 |
| TCMH2725 | Fructus perillae | Zi Su Zi | 紫苏子 |
Showing 1 to 6 of 6 entries
Ingredient ID: TCMC3357
Formula: C14H11NO2
Ingredient ID: TCMC3357
| Common Name | Murrayanine |
| IUPAC Name | 1-methoxy-9H-carbazole-3-carbaldehyde |
| Canonical SMILES | COc1cc(C=O)cc2c1[nH]c1c2cccc1 |
| Standard InCHI | InChI=1S/C14H11NO2/c1-17-13-7-9(8-16)6-11-10-4-2-3-5-12(10)15-14(11)13/h2-8,15H,1H3 |
| Standard InCHIKey | FWNZQNAJETXQPP-UHFFFAOYSA-N |
| External Identifiers | ChEMBL [CHEMBL1689802]; PubChem [96942]; |
| Reference of Component-Ingredient Pair | 12624822 |
Occurrence of the ingredient across TCM components
Ingredient ID: TCMC3239
Formula: C22H24O9
Ingredient ID: TCMC3239
| Common Name | 5,6,7,8,3',4',5'-Heptamethoxy Flavone |
| IUPAC Name | 5,6,7,8-tetramethoxy-2-(3,4,5-trimethoxyphenyl)chromen-4-one |
| Canonical SMILES | COc1c(OC)cc(cc1OC)c1cc(=O)c2c(o1)c(OC)c(c(c2OC)OC)OC |
| Standard InCHI | InChI=1S/C22H24O9/c1-24-14-8-11(9-15(25-2)17(14)26-3)13-10-12(23)16-18(27-4)20(28-5)22(30-7)21(29-6)19(16)31-13/h8-10H,1-7H3 |
| Standard InCHIKey | UAELIRBOLQZEAT-UHFFFAOYSA-N |
| External Identifiers | ChEMBL [CHEMBL310982]; PubChem [72815]; |
| Reference of Component-Ingredient Pair | 29744736 |
Occurrence of the ingredient across TCM components
Ingredient ID: TCMC3224
Formula: C28H58O
Ingredient ID: TCMC3224
| Common Name | 1-Octacosanol,N-Octacosanol |
| IUPAC Name | octacosan-1-ol |
| Canonical SMILES | CCCCCCCCCCCCCCCCCCCCCCCCCCCCO |
| Standard InCHI | InChI=1S/C28H58O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-26-27-28-29/h29H,2-28H2,1H3 |
| Standard InCHIKey | CNNRPFQICPFDPO-UHFFFAOYSA-N |
| External Identifiers | ChEMBL [CHEMBL1951714]; PubChem [68406]; |
| Reference of Component-Ingredient Pair | 22448094 |
Occurrence of the ingredient across TCM components
Ingredient ID: TCMC304
Formula: C10H18O
Ingredient ID: TCMC304
| Common Name | 2-(4-Methylcyclohex-3-En-1-Yl)Propan-2-Ol |
| IUPAC Name | 2-(4-methylcyclohex-3-en-1-yl)propan-2-ol |
| Canonical SMILES | CC1=CCC(CC1)C(O)(C)C |
| Standard InCHI | InChI=1S/C10H18O/c1-8-4-6-9(7-5-8)10(2,3)11/h4,9,11H,5-7H2,1-3H3 |
| Standard InCHIKey | WUOACPNHFRMFPN-UHFFFAOYSA-N |
| External Identifiers | ChEMBL [CHEMBL449810]; PubChem [17100]; |
| Reference of Component-Ingredient Pair | 26795242 |
Occurrence of the ingredient across TCM components
| Component ID | Latin Name | Pinyin Name | Chinese Name |
|---|---|---|---|
| TCMH1063 | Curcuma longa | Jiang Huang | 姜黄 |
| TCMH1064 | Coptis chinensis | Jiang Huang Lian | 姜黄连 |
| TCMH108 | Perilla frutescens | Bai Su Zi | 白苏子 |
| TCMH1127 | Lonicera japonica | Jin Yin Hua | 金银花 |
| TCMH1128 | Lonicera japonica | Jin Yin Hua Ti Qu Ye | 金银花提取液 |
| TCMH1161 | Coptis chinensis | Jiu Huang Lian | 酒黄连 |
| TCMH1165 | Murraya paniculata | Jiu Li Xiang | 九里香 |
| TCMH1178 | Citrus reticulata | Ju He | 橘核 |
| TCMH1184 | Citrus reticulata | Ju Pi | 橘皮 |
| TCMH12 | Artemisia argyi | Ai Ye | 艾叶 |
Showing 1 to 10 of 129 entries
Ingredient ID: 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: 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: TCMC2822
Formula: C15H24
Ingredient ID: TCMC2822
| Common Name | Alpha-Humulone |
| IUPAC Name | (1E,4E,8E)-2,6,6,9-tetramethylcycloundeca-1,4,8-triene |
| Canonical SMILES | C/C/1=CCC(C)(C)/C=C/C/C(=C/CC1)/C |
| Standard InCHI | InChI=1S/C15H24/c1-13-7-5-8-14(2)10-12-15(3,4)11-6-9-13/h6-7,10-11H,5,8-9,12H2,1-4H3/b11-6+,13-7+,14-10+ |
| Standard InCHIKey | FAMPSKZZVDUYOS-HRGUGZIWSA-N |
| External Identifiers | ChEMBL [CHEMBL251280]; PubChem [5281520]; |
| Reference of Component-Ingredient Pair | 29248443 |
Occurrence of the ingredient across TCM components
| Component ID | Latin Name | Pinyin Name | Chinese Name |
|---|---|---|---|
| TCMH1000 | Foeniculum vulgare | Hui Xiang | 茴香 |
| TCMH1005 | Cannabis sativa | Huo Ma Ren | 火麻仁 |
| TCMH1008 | Pogostemon cablin | Huo Xiang | 藿香 |
| TCMH1009 | Pogostemon cablin | Huo Xiang Ye | 藿香叶 |
| TCMH1033 | Centella asiatica | Ji Xue Cao | 积雪草 |
| TCMH1063 | Curcuma longa | Jiang Huang | 姜黄 |
| TCMH108 | Perilla frutescens | Bai Su Zi | 白苏子 |
| TCMH1142 | Schizonepetae spica | Jing Jie Sui | 荆芥穗 |
| TCMH1144 | Schizonepetae herba | Jing Jie Tan | 荆芥炭 |
| TCMH1165 | Murraya paniculata | Jiu Li Xiang | 九里香 |
Showing 1 to 10 of 111 entries
Ingredient ID: TCMC2815
Formula: C15H24
Ingredient ID: TCMC2815
| Common Name | Caryophyllene |
| IUPAC Name | (1R,4Z,9S)-4,11,11-trimethyl-8-methylidenebicyclo[7.2.0]undec-4-ene |
| Canonical SMILES | C/C/1=C/CCC(=C)[C@@H]2[C@@H](CC1)C(C2)(C)C |
| Standard InCHI | InChI=1S/C15H24/c1-11-6-5-7-12(2)13-10-15(3,4)14(13)9-8-11/h6,13-14H,2,5,7-10H2,1,3-4H3/b11-6-/t13-,14-/m1/s1 |
| Standard InCHIKey | NPNUFJAVOOONJE-FLFDDASRSA-N |
| External Identifiers | ChEMBL [CHEMBL448700]; PubChem [5281522]; |
| Reference of Component-Ingredient Pair | 26424685 |
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 |
| TCMH1063 | Curcuma longa | Jiang Huang | 姜黄 |
| TCMH108 | Perilla frutescens | Bai Su Zi | 白苏子 |
| 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 |
| TCMH13 | Artemisia argyi | Ai Ye You | 艾叶油 |
Showing 1 to 10 of 68 entries
Ingredient ID: TCMC2550
Formula: C15H24
Ingredient ID: TCMC2550
| Common Name | (+)-Germacrene D |
| IUPAC Name | (1E,6E,8R)-1-methyl-5-methylidene-8-propan-2-ylcyclodeca-1,6-diene |
| Canonical SMILES | C/C/1=CCCC(=C)/C=C/[C@H](CC1)C(C)C |
| Standard InCHI | InChI=1S/C15H24/c1-12(2)15-10-8-13(3)6-5-7-14(4)9-11-15/h7-8,10,12,15H,3,5-6,9,11H2,1-2,4H3/b10-8+,14-7+/t15-/m1/s1 |
| Standard InCHIKey | GAIBLDCXCZKKJE-RGZOGPIRSA-N |
| External Identifiers | ChEMBL [CHEMBL1836650]; PubChem [24771782]; |
| Reference of Component-Ingredient Pair | N/A |
Occurrence of the ingredient across TCM components
| Component ID | Latin Name | Pinyin Name | Chinese Name |
|---|---|---|---|
| TCMH1000 | Foeniculum vulgare | Hui Xiang | 茴香 |
| TCMH1063 | Curcuma longa | Jiang Huang | 姜黄 |
| TCMH108 | Perilla frutescens | Bai Su Zi | 白苏子 |
| TCMH1127 | Lonicera japonica | Jin Yin Hua | 金银花 |
| TCMH1128 | Lonicera japonica | Jin Yin Hua Ti Qu Ye | 金银花提取液 |
| TCMH1141 | Schizonepeta tenuifolia | Jing Jie | 荆芥 |
| TCMH1165 | Murraya paniculata | Jiu Li Xiang | 九里香 |
| TCMH1178 | Citrus reticulata | Ju He | 橘核 |
| TCMH1184 | Citrus reticulata | Ju Pi | 橘皮 |
| TCMH12 | Artemisia argyi | Ai Ye | 艾叶 |
Showing 1 to 10 of 59 entries
Ingredient ID: 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: TCMC2492
Formula: C22H24O9
Ingredient ID: TCMC2492
| Common Name | 3,5,6,7,3',4',5'-Heptamethoxyflavone |
| IUPAC Name | 3,5,6,7-tetramethoxy-2-(3,4,5-trimethoxyphenyl)chromen-4-one |
| Canonical SMILES | COc1c(OC)cc(cc1OC)c1oc2cc(OC)c(c(c2c(=O)c1OC)OC)OC |
| Standard InCHI | InChI=1S/C22H24O9/c1-24-13-8-11(9-14(25-2)19(13)27-4)18-22(30-7)17(23)16-12(31-18)10-15(26-3)20(28-5)21(16)29-6/h8-10H,1-7H3 |
| Standard InCHIKey | SHRSLVWLFNSTLK-UHFFFAOYSA-N |
| External Identifiers | ChEMBL [CHEMBL3109440]; PubChem [389001]; |
| 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: TCMC2366
Formula: C15H24O
Ingredient ID: TCMC2366
| Common Name | n.a. |
| IUPAC Name | n.a. |
| Canonical SMILES | C=C1CC[C@@H]2O[C@@]2(CC[C@@H]2[C@@H]1CC2(C)C)C |
| Standard InCHI | InChI=1S/C15H24O/c1-10-5-6-13-15(4,16-13)8-7-12-11(10)9-14(12,2)3/h11-13H,1,5-9H2,2-4H3/t11-,12-,13+,15-/m1/s1 |
| Standard InCHIKey | NVEQFIOZRFFVFW-GUIRCDHDSA-N |
| External Identifiers | ChEMBL [CHEMBL399036]; PubChem [1742211]; |
| Reference of Component-Ingredient Pair | N/A |
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 |
| TCMH1063 | Curcuma longa | Jiang Huang | 姜黄 |
| TCMH108 | Perilla frutescens | Bai Su Zi | 白苏子 |
| TCMH1127 | Lonicera japonica | Jin Yin Hua | 金银花 |
| TCMH1128 | Lonicera japonica | Jin Yin Hua Ti Qu Ye | 金银花提取液 |
| TCMH114 | Platycladus orientalis | Bai Ye | 柏叶 |
| TCMH1141 | Schizonepeta tenuifolia | Jing Jie | 荆芥 |
| TCMH1165 | Murraya paniculata | Jiu Li Xiang | 九里香 |
Showing 1 to 10 of 71 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: TCMC2166
Formula: C10H14O
Ingredient ID: TCMC2166
| Common Name | Thymol |
| IUPAC Name | 5-methyl-2-propan-2-ylphenol |
| Canonical SMILES | Cc1ccc(c(c1)O)C(C)C |
| Standard InCHI | InChI=1S/C10H14O/c1-7(2)9-5-4-8(3)6-10(9)11/h4-7,11H,1-3H3 |
| Standard InCHIKey | MGSRCZKZVOBKFT-UHFFFAOYSA-N |
| External Identifiers | ChEMBL [CHEMBL29411]; PubChem [6989]; |
| Reference of Component-Ingredient Pair | 29191726 |
Occurrence of the ingredient across TCM components
| Component ID | Latin Name | Pinyin Name | Chinese Name |
|---|---|---|---|
| TCMH1029 | Paederia scandens | Ji Shi Teng | 鸡矢藤 |
| TCMH108 | Perilla frutescens | Bai Su Zi | 白苏子 |
| TCMH114 | Platycladus orientalis | Bai Ye | 柏叶 |
| TCMH1165 | Murraya paniculata | Jiu Li Xiang | 九里香 |
| TCMH1178 | Citrus reticulata | Ju He | 橘核 |
| TCMH1181 | Chrysanthemum morifolium | Ju Hua | 菊花 |
| TCMH1184 | Citrus reticulata | Ju Pi | 橘皮 |
| TCMH1292 | Radix smilacis | Ling Xian | 灵仙 |
| TCMH132 | Scutellaria barbata | Ban Zhi Lian | 半枝莲 |
| TCMH1380 | Humulus japonicus | Lv Cao | 葎草 |
Showing 1 to 10 of 69 entries
Ingredient ID: TCMC2123
Formula: C20H20O7
Ingredient ID: TCMC2123
| Common Name | Tangeretin |
| IUPAC Name | 5,6,7,8-tetramethoxy-2-(4-methoxyphenyl)chromen-4-one |
| Canonical SMILES | COc1ccc(cc1)c1cc(=O)c2c(o1)c(OC)c(c(c2OC)OC)OC |
| Standard InCHI | InChI=1S/C20H20O7/c1-22-12-8-6-11(7-9-12)14-10-13(21)15-16(23-2)18(24-3)20(26-5)19(25-4)17(15)27-14/h6-10H,1-5H3 |
| Standard InCHIKey | ULSUXBXHSYSGDT-UHFFFAOYSA-N |
| External Identifiers | ChEMBL [CHEMBL73930]; PubChem [68077]; |
| Reference of Component-Ingredient Pair | 23107751 |
Occurrence of the ingredient across TCM components
| Component ID | Latin Name | Pinyin Name | Chinese Name |
|---|---|---|---|
| TCMH1097 | Fortunella japonica | Jin Gan | 金柑 |
| TCMH1104 | Fortunella margarita | Jin Ju | 金橘 |
| TCMH1165 | Murraya paniculata | Jiu Li Xiang | 九里香 |
| TCMH1178 | Citrus reticulata | Ju He | 橘核 |
| TCMH1184 | Citrus reticulata | Ju Pi | 橘皮 |
| TCMH1695 | Pericarpium citri reticulatae viride | Qing Pi | 青皮 |
| TCMH1975 | Gnaphalium affine | Shu Qu Cao | 鼠曲草 |
| TCMH2191 | Prunus mume | Wu Mei | 乌梅 |
| TCMH2192 | Prunus mume | Wu Mei Rou | 乌梅肉 |
| TCMH2201 | Securidaca inappendiculata | Wu Wei Teng | 五味藤 |
Showing 1 to 10 of 21 entries
Ingredient ID: TCMC2109
Formula: C21H22N2O2
Ingredient ID: TCMC2109
| Common Name | Strychnine |
| IUPAC Name | (4aR,5aS,8aR,13aS,15aS,15bR)-4a,5,5a,7,8,13a,15,15a,15b,16-decahydro-2H-4,6-methanoindolo[3,2,1-ij]oxepino[2,3,4-de]pyrrolo[2,3-h]quinoline-14-one |
| Canonical SMILES | O=C1C[C@@H]2OCC=C3[C@H]4[C@@H]2[C@@H]2N1c1ccccc1[C@]12CCN([C@H]1C4)C3 |
| Standard InCHI | InChI=1S/C21H22N2O2/c24-18-10-16-19-13-9-17-21(6-7-22(17)11-12(13)5-8-25-16)14-3-1-2-4-15(14)23(18)20(19)21/h1-5,13,16-17,19-20H,6-11H2/t13-,16-,17-,19-,20-,21+/m0/s1 |
| Standard InCHIKey | QMGVPVSNSZLJIA-FVWCLLPLSA-N |
| External Identifiers | ChEMBL [CHEMBL227934]; PubChem [441071]; |
| Reference of Component-Ingredient Pair | 23085523 |
Occurrence of the ingredient across TCM components
Ingredient ID: TCMC2086
Formula: C14H13NO4
Ingredient ID: TCMC2086
| Common Name | Skimmianine |
| IUPAC Name | 4,7,8-trimethoxyfuro[2,3-b]quinoline |
| Canonical SMILES | COc1ccc2c(c1OC)nc1c(c2OC)cco1 |
| Standard InCHI | InChI=1S/C14H13NO4/c1-16-10-5-4-8-11(13(10)18-3)15-14-9(6-7-19-14)12(8)17-2/h4-7H,1-3H3 |
| Standard InCHIKey | SLSIBLKBHNKZTB-UHFFFAOYSA-N |
| External Identifiers | ChEMBL [CHEMBL21396]; PubChem [6760]; |
| Reference of Component-Ingredient Pair | 23337743 |
Occurrence of the ingredient across TCM components
| Component ID | Latin Name | Pinyin Name | Chinese Name |
|---|---|---|---|
| TCMH1119 | Rhizoma fagopyri cymosi | Jin Si Ai Tuo Tuo | 金丝矮陀陀 |
| TCMH1165 | Murraya paniculata | Jiu Li Xiang | 九里香 |
| TCMH1277 | Alpinia officinarum | Liang Jiang | 良姜 |
| TCMH1390 | Poncirus trifoliata | Lv Yi Zhi Shi | 绿衣枳实 |
| TCMH1460 | Zanthoxylum nitidum | Mao Liang Mian Zhen | 毛两面针 |
| TCMH1782 | Ruta graveolens | San Ya Ku | 三桠苦 |
| TCMH2068 | Daphne tangutica | Tang Gu Te Rui Xiang | 唐古特瑞香 |
| TCMH2374 | Phellodendron amurense | Yan Guan Huang Bai | 盐关黄柏 |
| TCMH2511 | Zanthoxylum avicennae | Ying Bu Bo | 鹰不泊 |
| TCMH2562 | Ruta graveolens | Yun Xiang Jin Gao | 芸香浸膏 |
Showing 1 to 10 of 17 entries
Ingredient ID: TCMC2085
Formula: C20H20O7
Ingredient ID: TCMC2085
| Common Name | Sinensetin |
| IUPAC Name | 2-(3,4-dimethoxyphenyl)-5,6,7-trimethoxychromen-4-one |
| Canonical SMILES | COc1ccc(cc1OC)c1cc(=O)c2c(o1)cc(c(c2OC)OC)OC |
| Standard InCHI | InChI=1S/C20H20O7/c1-22-13-7-6-11(8-15(13)23-2)14-9-12(21)18-16(27-14)10-17(24-3)19(25-4)20(18)26-5/h6-10H,1-5H3 |
| Standard InCHIKey | LKMNXYDUQXAUCZ-UHFFFAOYSA-N |
| External Identifiers | ChEMBL [CHEMBL226507]; PubChem [145659]; |
| Reference of Component-Ingredient Pair | 20698540 |
Occurrence of the ingredient across TCM components
| Component ID | Latin Name | Pinyin Name | Chinese Name |
|---|---|---|---|
| TCMH1165 | Murraya paniculata | Jiu Li Xiang | 九里香 |
| TCMH1178 | Citrus reticulata | Ju He | 橘核 |
| TCMH1184 | Citrus reticulata | Ju Pi | 橘皮 |
| TCMH2201 | Securidaca inappendiculata | Wu Wei Teng | 五味藤 |
| TCMH253 | Citrus aurantium | Cheng Pi | 橙皮 |
| TCMH2613 | Citrus aurantium | Zhi Geng | 枳梗 |
| TCMH2618 | Citrus aurantium | Zhi Ke | 枳壳 |
| TCMH2619 | Citrus aurantium | Zhi Ke Gan Jin Gao | 枳壳干浸膏 |
| TCMH2630 | Citrus aurantium | Zhi Shi | 枳实 |
| TCMH863 | Salvia prionitis | Hong Gen Cao | 红根草 |
Showing 1 to 10 of 10 entries
Ingredient ID: TCMC2051
Formula: C10H8O4
Ingredient ID: TCMC2051
| Common Name | Scopoletin |
| IUPAC Name | 7-hydroxy-6-methoxychromen-2-one |
| Canonical SMILES | COc1cc2ccc(=O)oc2cc1O |
| Standard InCHI | InChI=1S/C10H8O4/c1-13-9-4-6-2-3-10(12)14-8(6)5-7(9)11/h2-5,11H,1H3 |
| Standard InCHIKey | RODXRVNMMDRFIK-UHFFFAOYSA-N |
| External Identifiers | ChEMBL [CHEMBL71851]; PubChem [5280460]; |
| Reference of Component-Ingredient Pair | 29559590 |
Occurrence of the ingredient across TCM components
| Component ID | Latin Name | Pinyin Name | Chinese Name |
|---|---|---|---|
| TCMH1162 | Sarcandra glabra | Jiu Jie Cha | 九节茶 |
| TCMH1165 | Murraya paniculata | Jiu Li Xiang | 九里香 |
| TCMH1185 | Lycium chinense | Gou Qi | 枸杞 |
| TCMH1186 | Lycium chinense | Gou Qi Zi | 枸杞子 |
| TCMH12 | Artemisia argyi | Ai Ye | 艾叶 |
| TCMH1215 | Sophora flavescens | Ku Shen | 苦参 |
| TCMH1277 | Alpinia officinarum | Liang Jiang | 良姜 |
| TCMH13 | Artemisia argyi | Ai Ye You | 艾叶油 |
| TCMH1322 | Solanum nigrum | Long Kui | 龙葵 |
| TCMH1367 | Apocynum venetum | Luo Bu Ma | 罗布麻 |
Showing 1 to 10 of 106 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: TCMC1986
Formula: C21H20O11
Ingredient ID: TCMC1986
| Common Name | Quercitrin |
| IUPAC Name | 2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-3-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxychromen-4-one |
| Canonical SMILES | Oc1cc(O)c2c(c1)oc(c(c2=O)O[C@@H]1O[C@@H](C)[C@@H]([C@H]([C@H]1O)O)O)c1ccc(c(c1)O)O |
| Standard InCHI | InChI=1S/C21H20O11/c1-7-15(26)17(28)18(29)21(30-7)32-20-16(27)14-12(25)5-9(22)6-13(14)31-19(20)8-2-3-10(23)11(24)4-8/h2-7,15,17-18,21-26,28-29H,1H3/t7-,15-,17+,18+,21-/m0/s1 |
| Standard InCHIKey | OXGUCUVFOIWWQJ-HQBVPOQASA-N |
| External Identifiers | ChEMBL [CHEMBL82242]; PubChem [5280459]; |
| Reference of Component-Ingredient Pair | 24685503 |
Occurrence of the ingredient across TCM components
| Component ID | Latin Name | Pinyin Name | Chinese Name |
|---|---|---|---|
| TCMH101 | Chelidonium majus | Bai Qu Cai | 白屈菜 |
| TCMH1033 | Centella asiatica | Ji Xue Cao | 积雪草 |
| TCMH1127 | Lonicera japonica | Jin Yin Hua | 金银花 |
| TCMH1128 | Lonicera japonica | Jin Yin Hua Ti Qu Ye | 金银花提取液 |
| TCMH114 | Platycladus orientalis | Bai Ye | 柏叶 |
| TCMH1165 | Murraya paniculata | Jiu Li Xiang | 九里香 |
| TCMH1247 | Geranium wilfordii | Lao Guan Cao | 老鹳草 |
| TCMH132 | Scutellaria barbata | Ban Zhi Lian | 半枝莲 |
| TCMH1343 | Aloe vera | Lu Hui | 芦荟 |
| TCMH143 | Albizia julibrissin | Bei He Huan | 北合欢 |
Showing 1 to 10 of 63 entries
Ingredient ID: TCMC1982
Formula: C15H10O7
Ingredient ID: TCMC1982
| Common Name | Quercetin |
| IUPAC Name | 2-(3,4-dihydroxyphenyl)-3,5,7-trihydroxychromen-4-one |
| Canonical SMILES | Oc1cc(O)c2c(c1)oc(c(c2=O)O)c1ccc(c(c1)O)O |
| Standard InCHI | InChI=1S/C15H10O7/c16-7-4-10(19)12-11(5-7)22-15(14(21)13(12)20)6-1-2-8(17)9(18)3-6/h1-5,16-19,21H |
| Standard InCHIKey | REFJWTPEDVJJIY-UHFFFAOYSA-N |
| External Identifiers | ChEMBL [CHEMBL50]; PubChem [5280343]; |
| Reference of Component-Ingredient Pair | 26766292 |
Occurrence of the ingredient across TCM components
| Component ID | Latin Name | Pinyin Name | Chinese Name |
|---|---|---|---|
| TCMH1008 | Pogostemon cablin | Huo Xiang | 藿香 |
| TCMH1009 | Pogostemon cablin | Huo Xiang Ye | 藿香叶 |
| TCMH1032 | Impatiens balsamina | Ji Xing Zi | 急性子 |
| TCMH1033 | Centella asiatica | Ji Xue Cao | 积雪草 |
| TCMH1090 | Brassica juncea | Jie Zi | 芥子 |
| TCMH1096 | Inula japonica | Jin Fei Cao | 金沸草 |
| TCMH1099 | Gymnema sylvestre | Jin Gang Teng | 金刚藤 |
| TCMH1100 | Gymnema sylvestre | Jin Gang Tou | 金刚头 |
| TCMH1105 | Trollius chinensis | Jin Lian Hua | 金莲花 |
| TCMH1117 | Rhizoma fagopyri cymosi | Jin Qiao Mai | 金荞麦 |
Showing 1 to 10 of 278 entries
Ingredient ID: TCMC1958
Formula: C16H12O5
Ingredient ID: TCMC1958
| Common Name | Prunetin |
| IUPAC Name | 5-hydroxy-3-(4-hydroxyphenyl)-7-methoxychromen-4-one |
| Canonical SMILES | COc1cc(O)c2c(c1)occ(c2=O)c1ccc(cc1)O |
| Standard InCHI | InChI=1S/C16H12O5/c1-20-11-6-13(18)15-14(7-11)21-8-12(16(15)19)9-2-4-10(17)5-3-9/h2-8,17-18H,1H3 |
| Standard InCHIKey | KQMVAGISDHMXJJ-UHFFFAOYSA-N |
| External Identifiers | ChEMBL [CHEMBL491174]; PubChem [5281804]; |
| Reference of Component-Ingredient Pair | 22256759 |
Occurrence of the ingredient across TCM components
| Component ID | Latin Name | Pinyin Name | Chinese Name |
|---|---|---|---|
| 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 |
| TCMH1068 | Dalbergia odorifera | Jiang Xiang | 降香 |
| TCMH1165 | Murraya paniculata | Jiu Li Xiang | 九里香 |
| TCMH1519 | Oroxylum indicum | Mu Hu Die | 木蝴蝶 |
| TCMH2322 | Prunus armeniaca | Xing Ren | 杏仁 |
| TCMH469 | Spatholobus suberectus | Dian Ji Xue Teng Gao Fen | 滇鸡血藤膏粉 |
Showing 1 to 8 of 8 entries
Ingredient ID: TCMC1860
Formula: C10H14O
Ingredient ID: TCMC1860
| Common Name | Perillaldehyde |
| IUPAC Name | 4-prop-1-en-2-ylcyclohexene-1-carbaldehyde |
| Canonical SMILES | O=CC1=CCC(CC1)C(=C)C |
| Standard InCHI | InChI=1S/C10H14O/c1-8(2)10-5-3-9(7-11)4-6-10/h3,7,10H,1,4-6H2,2H3 |
| Standard InCHIKey | RUMOYJJNUMEFDD-UHFFFAOYSA-N |
| External Identifiers | ChEMBL [CHEMBL469537]; PubChem [16441]; |
| Reference of Component-Ingredient Pair | 22489157 |
Occurrence of the ingredient across TCM components
| Component ID | Latin Name | Pinyin Name | Chinese Name |
|---|---|---|---|
| TCMH108 | Perilla frutescens | Bai Su Zi | 白苏子 |
| 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 |
| TCMH13 | Artemisia argyi | Ai Ye You | 艾叶油 |
| TCMH1611 | Rhizoma curcumae | Peng E Zhu | 蓬莪术 |
| TCMH1695 | Pericarpium citri reticulatae viride | Qing Pi | 青皮 |
| TCMH1734 | Homo sapiens | Ren Zhong Bai | 人中白 |
| TCMH2047 | Fructus perillae | Su Zi | 苏子 |
Showing 1 to 10 of 30 entries
Ingredient ID: TCMC1858
Formula: C16H14O4
Ingredient ID: TCMC1858
| Common Name | Pentosalen |
| IUPAC Name | 9-(3-methylbut-2-enoxy)furo[3,2-g]chromen-7-one |
| Canonical SMILES | CC(=CCOc1c2occc2cc2c1oc(=O)cc2)C |
| Standard InCHI | InChI=1S/C16H14O4/c1-10(2)5-7-19-16-14-12(6-8-18-14)9-11-3-4-13(17)20-15(11)16/h3-6,8-9H,7H2,1-2H3 |
| Standard InCHIKey | OLOOJGVNMBJLLR-UHFFFAOYSA-N |
| External Identifiers | ChEMBL [CHEMBL453805]; PubChem [10212]; |
| Reference of Component-Ingredient Pair | 23019888 |
Occurrence of the ingredient across TCM components
| Component ID | Latin Name | Pinyin Name | Chinese Name |
|---|---|---|---|
| TCMH1165 | Murraya paniculata | Jiu Li Xiang | 九里香 |
| TCMH147 | Glehnia littoralis | Bei Sha Shen | 北沙参 |
| TCMH148 | Glehnia littoralis | Bei Sha Shen Liu Jin Gao | 北沙参流浸膏 |
| TCMH1499 | Changium smyrnioides | Ming Dang Shen | 明党参 |
| TCMH1656 | Angelica decursiva | Qian Hu | 前胡 |
| TCMH1665 | Notopterygium incisum | Qiang Huo | 羌活 |
| TCMH1856 | Gardenia jasminoides | Shan Zhi | 山栀 |
| TCMH1866 | Cnidium monnieri | She Chuang Zi | 蛇床子 |
| TCMH1872 | Cnidium monnieri | She Ma Zi | 蛇麻子 |
| TCMH2281 | Citrus medica | Xiang Yuan | 香橼 |
Showing 1 to 10 of 29 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: TCMC1803
Formula: C15H16O3
Ingredient ID: TCMC1803
| Common Name | Osthole |
| IUPAC Name | 7-methoxy-8-(3-methylbut-2-enyl)chromen-2-one |
| Canonical SMILES | COc1ccc2c(c1CC=C(C)C)oc(=O)cc2 |
| Standard InCHI | InChI=1S/C15H16O3/c1-10(2)4-7-12-13(17-3)8-5-11-6-9-14(16)18-15(11)12/h4-6,8-9H,7H2,1-3H3 |
| Standard InCHIKey | MBRLOUHOWLUMFF-UHFFFAOYSA-N |
| External Identifiers | ChEMBL [CHEMBL52229]; PubChem [10228]; |
| Reference of Component-Ingredient Pair | 22454682 |
Occurrence of the ingredient across TCM components
| Component ID | Latin Name | Pinyin Name | Chinese Name |
|---|---|---|---|
| TCMH1165 | Murraya paniculata | Jiu Li Xiang | 九里香 |
| TCMH1665 | Notopterygium incisum | Qiang Huo | 羌活 |
| TCMH1866 | Cnidium monnieri | She Chuang Zi | 蛇床子 |
| TCMH1872 | Cnidium monnieri | She Ma Zi | 蛇麻子 |
| TCMH211 | Atractylodes lancea | Cang Zhu | 苍术 |
| TCMH2252 | Agrimonia pilosa var. japonica | Xian He Cao | 仙鹤草 |
| TCMH2253 | Agrimonia pilosa var. japonica | Xian He Cao Jin Gao Fen | 仙鹤草浸膏粉 |
| TCMH2281 | Citrus medica | Xiang Yuan | 香橼 |
| TCMH2282 | Citrus medica | Xiang Yuan Pi | 香橼皮 |
| TCMH253 | Citrus aurantium | Cheng Pi | 橙皮 |
Showing 1 to 10 of 18 entries
Ingredient ID: TCMC1758
Formula: C8H11NO3
Ingredient ID: TCMC1758
| Common Name | Norepinephrine |
| IUPAC Name | 4-[(1R)-2-amino-1-hydroxyethyl]benzene-1,2-diol |
| Canonical SMILES | NC[C@@H](c1ccc(c(c1)O)O)O |
| Standard InCHI | InChI=1S/C8H11NO3/c9-4-8(12)5-1-2-6(10)7(11)3-5/h1-3,8,10-12H,4,9H2/t8-/m0/s1 |
| Standard InCHIKey | SFLSHLFXELFNJZ-QMMMGPOBSA-N |
| External Identifiers | ChEMBL [CHEMBL1437]; PubChem [439260]; |
| Reference of Component-Ingredient Pair | 25729574 |
Occurrence of the ingredient across TCM components
| Component ID | Latin Name | Pinyin Name | Chinese Name |
|---|---|---|---|
| TCMH1165 | Murraya paniculata | Jiu Li Xiang | 九里香 |
| TCMH1396 | Portulaca oleracea | Ma Chi Xian | 马齿苋 |
| TCMH143 | Albizia julibrissin | Bei He Huan | 北合欢 |
| TCMH1575 | Bubalus bubalis | Niu Jiao Fen | 牛角粉 |
| TCMH1576 | Bubalus bubalis | Niu Jiao Jian Fen | 牛角尖粉 |
| TCMH1577 | Bubalus bubalis | Niu Jiao Tan | 牛角炭 |
| TCMH1734 | Homo sapiens | Ren Zhong Bai | 人中白 |
| TCMH1997 | Bubalus bubalis | Shui Niu Jiao | 水牛角 |
| TCMH1998 | Bubalus bubalis | Shui Niu Jiao Gan Jin Gao | 水牛角干浸膏 |
| TCMH1999 | Bubalus bubalis | Shui Niu Jiao Nong Suo Fen | 水牛角浓缩粉 |
Showing 1 to 10 of 13 entries
Ingredient ID: TCMC1749
Formula: C21H22O8
Ingredient ID: TCMC1749
| Common Name | Nobiletin |
| IUPAC Name | 2-(3,4-dimethoxyphenyl)-5,6,7,8-tetramethoxychromen-4-one |
| Canonical SMILES | COc1cc(ccc1OC)c1cc(=O)c2c(o1)c(OC)c(c(c2OC)OC)OC |
| Standard InCHI | InChI=1S/C21H22O8/c1-23-13-8-7-11(9-15(13)24-2)14-10-12(22)16-17(25-3)19(26-4)21(28-6)20(27-5)18(16)29-14/h7-10H,1-6H3 |
| Standard InCHIKey | MRIAQLRQZPPODS-UHFFFAOYSA-N |
| External Identifiers | ChEMBL [CHEMBL76447]; PubChem [72344]; |
| Reference of Component-Ingredient Pair | 22589172 |
Occurrence of the ingredient across TCM components
| Component ID | Latin Name | Pinyin Name | Chinese Name |
|---|---|---|---|
| TCMH1165 | Murraya paniculata | Jiu Li Xiang | 九里香 |
| TCMH1178 | Citrus reticulata | Ju He | 橘核 |
| TCMH1184 | Citrus reticulata | Ju Pi | 橘皮 |
| TCMH2201 | Securidaca inappendiculata | Wu Wei Teng | 五味藤 |
| TCMH2281 | Citrus medica | Xiang Yuan | 香橼 |
| TCMH2282 | Citrus medica | Xiang Yuan Pi | 香橼皮 |
| TCMH253 | Citrus aurantium | Cheng Pi | 橙皮 |
| TCMH2613 | Citrus aurantium | Zhi Geng | 枳梗 |
| TCMH2618 | Citrus aurantium | Zhi Ke | 枳壳 |
| TCMH2619 | Citrus aurantium | Zhi Ke Gan Jin Gao | 枳壳干浸膏 |
Showing 1 to 10 of 11 entries
Ingredient ID: TCMC1737
Formula: C10H18O
Ingredient ID: TCMC1737
| Common Name | Nerol |
| IUPAC Name | (2Z)-3,7-dimethylocta-2,6-dien-1-ol |
| Canonical SMILES | OC/C=C(CCC=C(C)C)/C |
| Standard InCHI | InChI=1S/C10H18O/c1-9(2)5-4-6-10(3)7-8-11/h5,7,11H,4,6,8H2,1-3H3/b10-7- |
| Standard InCHIKey | GLZPCOQZEFWAFX-YFHOEESVSA-N |
| External Identifiers | ChEMBL [CHEMBL452683]; PubChem [643820]; |
| Reference of Component-Ingredient Pair | 11731906 |
Occurrence of the ingredient across TCM components
| Component ID | Latin Name | Pinyin Name | Chinese Name |
|---|---|---|---|
| TCMH1063 | Curcuma longa | Jiang Huang | 姜黄 |
| TCMH1127 | Lonicera japonica | Jin Yin Hua | 金银花 |
| TCMH1128 | Lonicera japonica | Jin Yin Hua Ti Qu Ye | 金银花提取液 |
| TCMH1165 | Murraya paniculata | Jiu Li Xiang | 九里香 |
| TCMH1178 | Citrus reticulata | Ju He | 橘核 |
| TCMH1184 | Citrus reticulata | Ju Pi | 橘皮 |
| TCMH12 | Artemisia argyi | Ai Ye | 艾叶 |
| TCMH1215 | Sophora flavescens | Ku Shen | 苦参 |
| TCMH1247 | Geranium wilfordii | Lao Guan Cao | 老鹳草 |
| TCMH1275 | Nelumbo nucifera | Lian Zi | 莲子 |
Showing 1 to 10 of 85 entries
Ingredient ID: TCMC1712
Formula: C15H24O
Ingredient ID: TCMC1712
| Common Name | n.a. |
| IUPAC Name | n.a. |
| Canonical SMILES | C=C1CC[C@@H]2O[C@@]2(CC[C@@H]2[C@H]1CC2(C)C)C |
| Standard InCHI | InChI=1S/C15H24O/c1-10-5-6-13-15(4,16-13)8-7-12-11(10)9-14(12,2)3/h11-13H,1,5-9H2,2-4H3/t11-,12+,13-,15+/m0/s1 |
| Standard InCHIKey | NVEQFIOZRFFVFW-SFDCQRBFSA-N |
| External Identifiers | ChEMBL [CHEMBL1513806]; PubChem [6604672]; |
| 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 |
| TCMH1008 | Pogostemon cablin | Huo Xiang | 藿香 |
| TCMH1009 | Pogostemon cablin | Huo Xiang Ye | 藿香叶 |
| TCMH1063 | Curcuma longa | Jiang Huang | 姜黄 |
| TCMH108 | Perilla frutescens | Bai Su Zi | 白苏子 |
| TCMH1127 | Lonicera japonica | Jin Yin Hua | 金银花 |
| TCMH1128 | Lonicera japonica | Jin Yin Hua Ti Qu Ye | 金银花提取液 |
| TCMH1141 | Schizonepeta tenuifolia | Jing Jie | 荆芥 |
| TCMH1165 | Murraya paniculata | Jiu Li Xiang | 九里香 |
| TCMH1178 | Citrus reticulata | Ju He | 橘核 |
Showing 1 to 10 of 74 entries
Ingredient ID: TCMC1605
Formula: C15H14O4
Ingredient ID: TCMC1605
| Common Name | Murralongin |
| IUPAC Name | 2-(7-methoxy-2-oxochromen-8-yl)-3-methylbut-2-enal |
| Canonical SMILES | O=CC(=C(C)C)c1c(OC)ccc2c1oc(=O)cc2 |
| Standard InCHI | InChI=1S/C15H14O4/c1-9(2)11(8-16)14-12(18-3)6-4-10-5-7-13(17)19-15(10)14/h4-8H,1-3H3 |
| Standard InCHIKey | PBAZKMWQUBDDLZ-UHFFFAOYSA-N |
| External Identifiers | ChEMBL [CHEMBL1098016]; PubChem [179620]; |
| Reference of Component-Ingredient Pair | 20423106 |
Occurrence of the ingredient across TCM components
Ingredient ID: TCMC1558
Formula: C8H9NO2
Ingredient ID: TCMC1558
| Common Name | Methyl Anthranilate |
| IUPAC Name | methyl 2-aminobenzoate |
| Canonical SMILES | COC(=O)c1ccccc1N |
| Standard InCHI | InChI=1S/C8H9NO2/c1-11-8(10)6-4-2-3-5-7(6)9/h2-5H,9H2,1H3 |
| Standard InCHIKey | VAMXMNNIEUEQDV-UHFFFAOYSA-N |
| External Identifiers | ChEMBL [CHEMBL1493986]; PubChem [8635]; |
| Reference of Component-Ingredient Pair | 22479417 |
Occurrence of the ingredient across TCM components
Ingredient ID: TCMC1525
Formula: C23H25NO
Ingredient ID: TCMC1525
| Common Name | Mahanimbine |
| IUPAC Name | 3,5-dimethyl-3-(4-methylpent-3-enyl)-11H-pyrano[3,2-a]carbazole |
| Canonical SMILES | CC(=CCCC1(C)C=Cc2c(O1)c(C)cc1c2[nH]c2c1cccc2)C |
| Standard InCHI | InChI=1S/C23H25NO/c1-15(2)8-7-12-23(4)13-11-18-21-19(14-16(3)22(18)25-23)17-9-5-6-10-20(17)24-21/h5-6,8-11,13-14,24H,7,12H2,1-4H3 |
| Standard InCHIKey | HTNVFUBCWIYPJN-UHFFFAOYSA-N |
| External Identifiers | ChEMBL [CHEMBL495873]; PubChem [167963]; |
| Reference of Component-Ingredient Pair | N/A |
Occurrence of the ingredient across TCM components
Ingredient ID: TCMC1493
Formula: C10H18O
Ingredient ID: TCMC1493
| Common Name | Linalool (+) |
| IUPAC Name | (3R)-3,7-dimethylocta-1,6-dien-3-ol |
| Canonical SMILES | C=C[C@@](CCC=C(C)C)(O)C |
| Standard InCHI | InChI=1S/C10H18O/c1-5-10(4,11)8-6-7-9(2)3/h5,7,11H,1,6,8H2,2-4H3/t10-/m0/s1 |
| Standard InCHIKey | CDOSHBSSFJOMGT-JTQLQIEISA-N |
| External Identifiers | ChEMBL [CHEMBL235672]; PubChem [443158]; |
| Reference of Component-Ingredient Pair | 22394400 |
Occurrence of the ingredient across TCM components
| Component ID | Latin Name | Pinyin Name | Chinese Name |
|---|---|---|---|
| TCMH1000 | Foeniculum vulgare | Hui Xiang | 茴香 |
| TCMH1029 | Paederia scandens | Ji Shi Teng | 鸡矢藤 |
| TCMH1033 | Centella asiatica | Ji Xue Cao | 积雪草 |
| TCMH1063 | Curcuma longa | Jiang Huang | 姜黄 |
| TCMH108 | Perilla frutescens | Bai Su Zi | 白苏子 |
| TCMH1117 | Rhizoma fagopyri cymosi | Jin Qiao Mai | 金荞麦 |
| TCMH1126 | Craibiodendron yunnanese | Jin Ye Zi | 金叶子 |
| TCMH1127 | Lonicera japonica | Jin Yin Hua | 金银花 |
| TCMH1128 | Lonicera japonica | Jin Yin Hua Ti Qu Ye | 金银花提取液 |
| TCMH1144 | Schizonepetae herba | Jing Jie Tan | 荆芥炭 |
Showing 1 to 10 of 154 entries
Ingredient ID: TCMC1492
Formula: C10H18O
Ingredient ID: TCMC1492
| Common Name | Linalool |
| IUPAC Name | 3,7-dimethylocta-1,6-dien-3-ol |
| Canonical SMILES | C=CC(CCC=C(C)C)(O)C |
| Standard InCHI | InChI=1S/C10H18O/c1-5-10(4,11)8-6-7-9(2)3/h5,7,11H,1,6,8H2,2-4H3 |
| Standard InCHIKey | CDOSHBSSFJOMGT-UHFFFAOYSA-N |
| External Identifiers | ChEMBL [CHEMBL25306]; PubChem [6549]; |
| Reference of Component-Ingredient Pair | 29029310 |
Occurrence of the ingredient across TCM components
| Component ID | Latin Name | Pinyin Name | Chinese Name |
|---|---|---|---|
| TCMH1000 | Foeniculum vulgare | Hui Xiang | 茴香 |
| TCMH1029 | Paederia scandens | Ji Shi Teng | 鸡矢藤 |
| TCMH1063 | Curcuma longa | Jiang Huang | 姜黄 |
| TCMH108 | Perilla frutescens | Bai Su Zi | 白苏子 |
| TCMH1127 | Lonicera japonica | Jin Yin Hua | 金银花 |
| TCMH1128 | Lonicera japonica | Jin Yin Hua Ti Qu Ye | 金银花提取液 |
| TCMH1165 | Murraya paniculata | Jiu Li Xiang | 九里香 |
| TCMH1178 | Citrus reticulata | Ju He | 橘核 |
| TCMH1184 | Citrus reticulata | Ju Pi | 橘皮 |
| TCMH12 | Artemisia argyi | Ai Ye | 艾叶 |
Showing 1 to 10 of 103 entries
Ingredient ID: 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: TCMC1236
Formula: C15H10O5
Ingredient ID: TCMC1236
| Common Name | Genistein |
| IUPAC Name | 5,7-dihydroxy-3-(4-hydroxyphenyl)chromen-4-one |
| Canonical SMILES | Oc1ccc(cc1)c1coc2c(c1=O)c(O)cc(c2)O |
| Standard InCHI | InChI=1S/C15H10O5/c16-9-3-1-8(2-4-9)11-7-20-13-6-10(17)5-12(18)14(13)15(11)19/h1-7,16-18H |
| Standard InCHIKey | TZBJGXHYKVUXJN-UHFFFAOYSA-N |
| External Identifiers | ChEMBL [CHEMBL44]; PubChem [5280961]; |
| Reference of Component-Ingredient Pair | 29624291 |
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 |
| TCMH1165 | Murraya paniculata | Jiu Li Xiang | 九里香 |
| TCMH1215 | Sophora flavescens | Ku Shen | 苦参 |
| TCMH1254 | Amaranthus spinosus | Le Xian Cai | 勒苋菜 |
| TCMH1475 | Glycyrrhiza uralensis | Mi Gan Cao | 蜜甘草 |
| TCMH1734 | Homo sapiens | Ren Zhong Bai | 人中白 |
| TCMH1899 | Glycyrrhiza uralensis | Sheng Gan Cao | 生甘草 |
| TCMH2080 | Sophora flavescens | Teng Ku Shen | 藤苦参 |
Showing 1 to 10 of 45 entries
Ingredient ID: TCMC1210
Formula: C13H11NO3
Ingredient ID: TCMC1210
| Common Name | Gamma-Fagarine |
| IUPAC Name | 4,8-dimethoxyfuro[2,3-b]quinoline |
| Canonical SMILES | COc1cccc2c1nc1occc1c2OC |
| Standard InCHI | InChI=1S/C13H11NO3/c1-15-10-5-3-4-8-11(10)14-13-9(6-7-17-13)12(8)16-2/h3-7H,1-2H3 |
| Standard InCHIKey | KFBCTNNQFGONHB-UHFFFAOYSA-N |
| External Identifiers | ChEMBL [CHEMBL252925]; PubChem [107936]; |
| Reference of Component-Ingredient Pair | 22090957 |
Occurrence of the ingredient across TCM components
| Component ID | Latin Name | Pinyin Name | Chinese Name |
|---|---|---|---|
| TCMH1165 | Murraya paniculata | Jiu Li Xiang | 九里香 |
| TCMH1277 | Alpinia officinarum | Liang Jiang | 良姜 |
| TCMH1782 | Ruta graveolens | San Ya Ku | 三桠苦 |
| TCMH2374 | Phellodendron amurense | Yan Guan Huang Bai | 盐关黄柏 |
| TCMH2511 | Zanthoxylum avicennae | Ying Bu Bo | 鹰不泊 |
| TCMH2562 | Ruta graveolens | Yun Xiang Jin Gao | 芸香浸膏 |
| TCMH672 | Alpinia officinarum | Gao Liang Jiang | 高良姜 |
| TCMH673 | Alpinia officinarum | Gao Liang Jiang You | 高良姜油 |
| TCMH717 | Phellodendron amurense | Guan Huang Bai | 关黄柏 |
| TCMH949 | Phellodendron amurense | Huang Bai | 黄柏 |
Showing 1 to 10 of 12 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: TCMC1186
Formula: C16H12O4
Ingredient ID: TCMC1186
| Common Name | Formononetin |
| IUPAC Name | 7-hydroxy-3-(4-methoxyphenyl)chromen-4-one |
| Canonical SMILES | COc1ccc(cc1)c1coc2c(c1=O)ccc(c2)O |
| Standard InCHI | InChI=1S/C16H12O4/c1-19-12-5-2-10(3-6-12)14-9-20-15-8-11(17)4-7-13(15)16(14)18/h2-9,17H,1H3 |
| Standard InCHIKey | HKQYGTCOTHHOMP-UHFFFAOYSA-N |
| External Identifiers | ChEMBL [CHEMBL242341]; PubChem [5280378]; |
| Reference of Component-Ingredient Pair | 28985473 |
Occurrence of the ingredient across TCM components
| Component ID | Latin Name | Pinyin Name | Chinese Name |
|---|---|---|---|
| TCMH1165 | Murraya paniculata | Jiu Li Xiang | 九里香 |
| TCMH1215 | Sophora flavescens | Ku Shen | 苦参 |
| TCMH1296 | Ganoderma lucidum | Ling Zhi Jin Gao | 灵芝浸膏 |
| TCMH1299 | Ganoderma lucidum | Ling Zhi(1) | 灵芝 |
| TCMH1398 | Ephedra sinica | Ma Huang | 麻黄 |
| TCMH1399 | Ephedra sinica | Ma Huang Gao | 麻黄膏 |
| TCMH1400 | Ephedra sinica | Ma Huang Gen | 麻黄根 |
| TCMH1401 | Ephedra sinica | Ma Huang Jin Gao | 麻黄浸膏 |
| TCMH143 | Albizia julibrissin | Bei He Huan | 北合欢 |
| TCMH1475 | Glycyrrhiza uralensis | Mi Gan Cao | 蜜甘草 |
Showing 1 to 10 of 47 entries
Ingredient ID: TCMC1159
Formula: C10H12O2
Ingredient ID: TCMC1159
| Common Name | Eugenol |
| IUPAC Name | 2-methoxy-4-prop-2-enylphenol |
| Canonical SMILES | C=CCc1ccc(c(c1)OC)O |
| Standard InCHI | InChI=1S/C10H12O2/c1-3-4-8-5-6-9(11)10(7-8)12-2/h3,5-7,11H,1,4H2,2H3 |
| Standard InCHIKey | RRAFCDWBNXTKKO-UHFFFAOYSA-N |
| External Identifiers | ChEMBL [CHEMBL42710]; PubChem [3314]; |
| Reference of Component-Ingredient Pair | 29191726 |
Occurrence of the ingredient across TCM components
| Component ID | Latin Name | Pinyin Name | Chinese Name |
|---|---|---|---|
| TCMH1000 | Foeniculum vulgare | Hui Xiang | 茴香 |
| TCMH1005 | Cannabis sativa | Huo Ma Ren | 火麻仁 |
| TCMH1008 | Pogostemon cablin | Huo Xiang | 藿香 |
| TCMH1009 | Pogostemon cablin | Huo Xiang Ye | 藿香叶 |
| TCMH1064 | Coptis chinensis | Jiang Huang Lian | 姜黄连 |
| TCMH108 | Perilla frutescens | Bai Su Zi | 白苏子 |
| TCMH1127 | Lonicera japonica | Jin Yin Hua | 金银花 |
| TCMH1128 | Lonicera japonica | Jin Yin Hua Ti Qu Ye | 金银花提取液 |
| TCMH1158 | Ocimum basilicum | Jiu Ceng Ta | 九层塔 |
| TCMH1161 | Coptis chinensis | Jiu Huang Lian | 酒黄连 |
Showing 1 to 10 of 140 entries
Ingredient ID: 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
Properties
| Ingredient ID | Formulae | Name | MW | AlogP | MlogP | XlogP | # HBA | # HBD | PSA | # Rotatable Bond | # Ring | # Heacy Atom | Lipinski RO5 Violation |
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| TCMC1102 | C14H6O8 | Ellagic Acid | 302.01 | -2.0234 | 2.12 | -0.046 | 2 | 4 | 133.52 | 4 | 4 | 22 | 0 |
| TCMC1159 | C10H12O2 | Eugenol | 164.08 | 0.5166 | 2.34 | 2.484 | 0 | 1 | 29.46 | 5 | 1 | 12 | 0 |
| TCMC1186 | C16H12O4 | Formononetin | 268.07 | -1.1788 | 2.78 | 2.994 | 1 | 1 | 55.76 | 4 | 3 | 20 | 0 |
| TCMC1202 | C7H6O5 | Gallic Acid | 170.02 | -1.6207 | 1.68 | 0.002 | 2 | 4 | 97.99 | 5 | 1 | 12 | 0 |
| TCMC1210 | C13H11NO3 | Gamma-Fagarine | 229.07 | -0.2577 | 2.45 | 2.068 | 1 | 0 | 44.49 | 4 | 3 | 17 | 0 |
| TCMC1236 | C15H10O5 | Genistein | 270.05 | -2.0476 | 2.56 | 1.512 | 1 | 3 | 86.99 | 4 | 3 | 20 | 0 |
| TCMC13 | C15H14O6 | (-)-Epicatechin | 290.08 | -2.494 | 2.45 | 0.406 | 1 | 5 | 110.38 | 6 | 3 | 21 | 0 |
| TCMC1429 | C15H10O6 | Kaempferol | 286.05 | -2.3409 | 2.45 | 1.915 | 2 | 4 | 107.22 | 5 | 3 | 21 | 0 |
| TCMC1492 | C10H18O | Linalool | 154.14 | 2.4692 | 2.45 | 2.468 | 1 | 1 | 20.23 | 8 | 0 | 11 | 0 |
| TCMC1493 | C10H18O | Linalool (+) | 154.14 | 2.4692 | 2.45 | 2.468 | 1 | 1 | 20.23 | 8 | 0 | 11 | 0 |
Showing 1 to 10 of 108 entries
Download Data
All data can be downloaded by:→ Selecting data type in the below download table
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