Description of the Component
Component ID |
TCMH101 |
Latin Name |
Chelidonium majus |
English Name |
Greater celandine |
Chinese Pinyin Name |
Bai Qu Cai |
中文名 |
白屈菜 |
TCM Properties |
|
TCM Meridians |
|
Therapeutic Class English |
|
Therapeutic Class Chinese |
|
Functions |
|
Toxicity |
NA |
Geo-authentic habitats (道地产区) |
NA |
Reference |
CFDA |
Barcode ID |
ITSAN4417-14 |
Barcode Source |
BOLDSYSTEMS |
TCM Prescriptions with the Component
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 |
| TCMT13 | APEX1 | DNA-(apurinic or apyrimidinic site) lyase | Lyase | P27695 |
| TCMT130 | ALOX5 | Arachidonate 5-lipoxygenase | Oxidoreductase | P09917 |
| TCMT131 | ACHE | Acetylcholinesterase | Hydrolase | P22303 |
| TCMT132 | BCHE | Butyrylcholinesterase | Hydrolase | P06276 |
| TCMT133 | CA1 | Carbonic anhydrase I | Lyase | P00915 |
| TCMT134 | CA2 | Carbonic anhydrase II | Lyase | P00918 |
Showing 1 to 10 of 130 entries
Targeted Pathogenic Microbes by the Ingredient of Component
| Target ID | Target Name |
|---|---|
| TCMT1099 | Neuraminidase |
| TCMT1108 | Integrase |
| TCMT1109 | Reverse transcriptase |
| TCMT1178 | Actinomyces viscosus |
| TCMT1212 | Verticillium dahliae |
| TCMT1218 | Staphylococcus aureus |
| TCMT1223 | Staphylococcus epidermidis |
| TCMT1229 | Enterococcus faecalis |
| TCMT1232 | Pseudomonas aeruginosa |
| TCMT1251 | Candida albicans |
Showing 1 to 10 of 25 entries
Ingredient Structrues
Ingredient ID: TCMC948
Formula: C9H8O3
Ingredient ID: TCMC948
| Common Name | Coumaric Acid |
| IUPAC Name | (E)-3-(4-hydroxyphenyl)prop-2-enoic acid |
| Canonical SMILES | OC(=O)/C=C/c1ccc(cc1)O |
| Standard InCHI | InChI=1S/C9H8O3/c10-8-4-1-7(2-5-8)3-6-9(11)12/h1-6,10H,(H,11,12)/b6-3+ |
| Standard InCHIKey | NGSWKAQJJWESNS-ZZXKWVIFSA-N |
| External Identifiers | ChEMBL [CHEMBL66879]; PubChem [637542]; |
| Reference of Component-Ingredient Pair | 23800587 |
Occurrence of the ingredient across TCM components
| Component ID | Latin Name | Pinyin Name | Chinese Name |
|---|---|---|---|
| TCMH101 | Chelidonium majus | Bai Qu Cai | 白屈菜 |
| TCMH1033 | Centella asiatica | Ji Xue Cao | 积雪草 |
| TCMH1096 | Inula japonica | Jin Fei Cao | 金沸草 |
| TCMH1117 | Rhizoma fagopyri cymosi | Jin Qiao Mai | 金荞麦 |
| TCMH1118 | Lygodium japonicum | Jin Sha Teng | 金沙藤 |
| TCMH1127 | Lonicera japonica | Jin Yin Hua | 金银花 |
| TCMH1128 | Lonicera japonica | Jin Yin Hua Ti Qu Ye | 金银花提取液 |
| TCMH1142 | Schizonepetae spica | Jing Jie Sui | 荆芥穗 |
| TCMH1144 | Schizonepetae herba | Jing Jie Tan | 荆芥炭 |
| TCMH1146 | Oryza sativa | Jing Mi | 粳米 |
Showing 1 to 10 of 126 entries
Ingredient ID: TCMC923
Formula: C6H8O7
Ingredient ID: TCMC923
| Common Name | Citric Acid |
| IUPAC Name | 2-hydroxypropane-1,2,3-tricarboxylic acid |
| Canonical SMILES | OC(=O)C(CC(=O)O)(CC(=O)O)O |
| Standard InCHI | InChI=1S/C6H8O7/c7-3(8)1-6(13,5(11)12)2-4(9)10/h13H,1-2H2,(H,7,8)(H,9,10)(H,11,12) |
| Standard InCHIKey | KRKNYBCHXYNGOX-UHFFFAOYSA-N |
| External Identifiers | ChEMBL [CHEMBL1261]; PubChem [311]; |
| Reference of Component-Ingredient Pair | 27765674 |
Occurrence of the ingredient across TCM components
| Component ID | Latin Name | Pinyin Name | Chinese Name |
|---|---|---|---|
| TCMH1008 | Pogostemon cablin | Huo Xiang | 藿香 |
| TCMH1009 | Pogostemon cablin | Huo Xiang Ye | 藿香叶 |
| TCMH101 | Chelidonium majus | Bai Qu Cai | 白屈菜 |
| TCMH1121 | Cardiospermum halicacabum | Jin Si Ku Lian | 金丝苦楝 |
| TCMH1162 | Sarcandra glabra | Jiu Jie Cha | 九节茶 |
| TCMH1223 | Tussilago farfara | Kuan Dong Hua | 款冬花 |
| TCMH1446 | Vaccinium oxycoccos | Man Yue Mei | 蔓越莓 |
| TCMH1448 | Mangifera indica | Mang Guo Ye | 芒果叶 |
| TCMH1483 | Tussilago farfara | Mi Kuan Dong Hua | 蜜款冬花 |
| TCMH1489 | Papaver somniferum | Mi Ying Su Ke | 蜜罂粟壳 |
Showing 1 to 10 of 66 entries
Ingredient ID: TCMC904
Formula: C5H14NO
Ingredient ID: TCMC904
| Common Name | Choline |
| IUPAC Name | 2-hydroxyethyl(trimethyl)azanium |
| Canonical SMILES | OCC[N+](C)(C)C |
| Standard InCHI | InChI=1S/C5H14NO/c1-6(2,3)4-5-7/h7H,4-5H2,1-3H3/q+1 |
| Standard InCHIKey | OEYIOHPDSNJKLS-UHFFFAOYSA-N |
| External Identifiers | ChEMBL [CHEMBL920]; PubChem [305]; |
| Reference of Component-Ingredient Pair | 29065941 |
Occurrence of the ingredient across TCM components
| Component ID | Latin Name | Pinyin Name | Chinese Name |
|---|---|---|---|
| TCMH1005 | Cannabis sativa | Huo Ma Ren | 火麻仁 |
| TCMH101 | Chelidonium majus | Bai Qu Cai | 白屈菜 |
| TCMH1064 | Coptis chinensis | Jiang Huang Lian | 姜黄连 |
| TCMH1090 | Brassica juncea | Jie Zi | 芥子 |
| TCMH1161 | Coptis chinensis | Jiu Huang Lian | 酒黄连 |
| TCMH1223 | Tussilago farfara | Kuan Dong Hua | 款冬花 |
| TCMH1409 | Cannabis sativa | Ma Ren | 麻仁 |
| TCMH1483 | Tussilago farfara | Mi Kuan Dong Hua | 蜜款冬花 |
| TCMH1489 | Papaver somniferum | Mi Ying Su Ke | 蜜罂粟壳 |
| TCMH1499 | Changium smyrnioides | Ming Dang Shen | 明党参 |
Showing 1 to 10 of 43 entries
Ingredient ID: TCMC893
Formula: C20H19NO5
Ingredient ID: TCMC893
| Common Name | Chelidonine (+) |
| IUPAC Name | n.a. |
| Canonical SMILES | CN1Cc2c(C3C1c1cc4OCOc4cc1CC3O)ccc1c2OCO1 |
| Standard InCHI | InChI=1S/C20H19NO5/c1-21-7-13-11(2-3-15-20(13)26-9-23-15)18-14(22)4-10-5-16-17(25-8-24-16)6-12(10)19(18)21/h2-3,5-6,14,18-19,22H,4,7-9H2,1H3 |
| Standard InCHIKey | GHKISGDRQRSCII-UHFFFAOYSA-N |
| External Identifiers | ChEMBL [CHEMBL436279]; PubChem [10147]; |
| Reference of Component-Ingredient Pair | N/A |
Occurrence of the ingredient across TCM components
Ingredient ID: TCMC892
Formula: C21H18NO4
Ingredient ID: TCMC892
| Common Name | Chelerythrine |
| IUPAC Name | 1,2-dimethoxy-12-methyl-[1,3]benzodioxolo[5,6-c]phenanthridin-12-ium |
| Canonical SMILES | COc1c(OC)ccc2c1c[n+](C)c1c2ccc2c1cc1OCOc1c2 |
| Standard InCHI | InChI=1S/C21H18NO4/c1-22-10-16-13(6-7-17(23-2)21(16)24-3)14-5-4-12-8-18-19(26-11-25-18)9-15(12)20(14)22/h4-10H,11H2,1-3H3/q+1 |
| Standard InCHIKey | LLEJIEBFSOEYIV-UHFFFAOYSA-N |
| External Identifiers | ChEMBL [CHEMBL13045]; PubChem [2703]; |
| Reference of Component-Ingredient Pair | 24014644 |
Occurrence of the ingredient across TCM components
Ingredient ID: TCMC858
Formula: C20H21NO4
Ingredient ID: TCMC858
| Common Name | Canadine |
| IUPAC Name | n.a. |
| Canonical SMILES | COc1c(OC)ccc2c1CN1CCc3c([C@@H]1C2)cc1c(c3)OCO1 |
| Standard InCHI | InChI=1S/C20H21NO4/c1-22-17-4-3-12-7-16-14-9-19-18(24-11-25-19)8-13(14)5-6-21(16)10-15(12)20(17)23-2/h3-4,8-9,16H,5-7,10-11H2,1-2H3/t16-/m0/s1 |
| Standard InCHIKey | VZTUIEROBZXUFA-INIZCTEOSA-N |
| External Identifiers | ChEMBL [CHEMBL490533]; PubChem [21171]; |
| Reference of Component-Ingredient Pair | 19703289 |
Occurrence of the ingredient across TCM components
| Component ID | Latin Name | Pinyin Name | Chinese Name |
|---|---|---|---|
| TCMH101 | Chelidonium majus | Bai Qu Cai | 白屈菜 |
| TCMH2374 | Phellodendron amurense | Yan Guan Huang Bai | 盐关黄柏 |
| TCMH2376 | Corydalis yanhusuo | Yan Hu Suo | 延胡索 |
| TCMH717 | Phellodendron amurense | Guan Huang Bai | 关黄柏 |
| TCMH949 | Phellodendron amurense | Huang Bai | 黄柏 |
| TCMH950 | Phellodendron amurense | Huang Bai Fen | 黄柏粉 |
| TCMH951 | Phellodendron amurense | Huang Bai Tan | 黄柏炭 |
Showing 1 to 7 of 7 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: TCMC784
Formula: C20H18NO4
Ingredient ID: TCMC784
| Common Name | Berberine |
| IUPAC Name | n.a. |
| Canonical SMILES | COc1c(OC)ccc2c1c[n+]1CCc3c(c1c2)cc1c(c3)OCO1 |
| Standard InCHI | InChI=1S/C20H18NO4/c1-22-17-4-3-12-7-16-14-9-19-18(24-11-25-19)8-13(14)5-6-21(16)10-15(12)20(17)23-2/h3-4,7-10H,5-6,11H2,1-2H3/q+1 |
| Standard InCHIKey | YBHILYKTIRIUTE-UHFFFAOYSA-N |
| External Identifiers | ChEMBL [CHEMBL295124]; PubChem [2353]; |
| Reference of Component-Ingredient Pair | 18501540 |
Occurrence of the ingredient across TCM components
| Component ID | Latin Name | Pinyin Name | Chinese Name |
|---|---|---|---|
| TCMH101 | Chelidonium majus | Bai Qu Cai | 白屈菜 |
| TCMH1064 | Coptis chinensis | Jiang Huang Lian | 姜黄连 |
| TCMH1161 | Coptis chinensis | Jiu Huang Lian | 酒黄连 |
| TCMH1734 | Homo sapiens | Ren Zhong Bai | 人中白 |
| TCMH2248 | Corydalis decumbens | Xia Tian Wu | 夏天无 |
| TCMH2281 | Citrus medica | Xiang Yuan | 香橼 |
| TCMH2282 | Citrus medica | Xiang Yuan Pi | 香橼皮 |
| TCMH2330 | Coptis chinensis | Xiong Huang Lian | 雄黄连 |
| TCMH2374 | Phellodendron amurense | Yan Guan Huang Bai | 盐关黄柏 |
| TCMH2376 | Corydalis yanhusuo | Yan Hu Suo | 延胡索 |
Showing 1 to 10 of 24 entries
Ingredient ID: TCMC737
Formula: C21H20O11
Ingredient ID: TCMC737
| Common Name | Astragalin |
| IUPAC Name | 5,7-dihydroxy-2-(4-hydroxyphenyl)-3-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxychromen-4-one |
| Canonical SMILES | OC[C@H]1O[C@@H](Oc2c(oc3c(c2=O)c(O)cc(c3)O)c2ccc(cc2)O)[C@@H]([C@H]([C@@H]1O)O)O |
| Standard InCHI | InChI=1S/C21H20O11/c22-7-13-15(26)17(28)18(29)21(31-13)32-20-16(27)14-11(25)5-10(24)6-12(14)30-19(20)8-1-3-9(23)4-2-8/h1-6,13,15,17-18,21-26,28-29H,7H2/t13-,15-,17+,18-,21+/m1/s1 |
| Standard InCHIKey | JPUKWEQWGBDDQB-QSOFNFLRSA-N |
| External Identifiers | ChEMBL [CHEMBL233930]; PubChem [5282102]; |
| Reference of Component-Ingredient Pair | 22667148 |
Occurrence of the ingredient across TCM components
| Component ID | Latin Name | Pinyin Name | Chinese Name |
|---|---|---|---|
| TCMH1000 | Foeniculum vulgare | Hui Xiang | 茴香 |
| TCMH101 | Chelidonium majus | Bai Qu Cai | 白屈菜 |
| TCMH1032 | Impatiens balsamina | Ji Xing Zi | 急性子 |
| TCMH1033 | Centella asiatica | Ji Xue Cao | 积雪草 |
| TCMH1096 | Inula japonica | Jin Fei Cao | 金沸草 |
| TCMH1118 | Lygodium japonicum | Jin Sha Teng | 金沙藤 |
| TCMH1127 | Lonicera japonica | Jin Yin Hua | 金银花 |
| TCMH1128 | Lonicera japonica | Jin Yin Hua Ti Qu Ye | 金银花提取液 |
| TCMH120 | Atractylodes macrocephala | Bai Zhu | 白术 |
| TCMH1223 | Tussilago farfara | Kuan Dong Hua | 款冬花 |
Showing 1 to 10 of 101 entries
Ingredient ID: TCMC7156
Formula: C43H32N2O9
Ingredient ID: TCMC7156
| Common Name | Meso-Chelidimerine |
| IUPAC Name | 1,3-bis[(23R)-24-methyl-5,7,18,20-tetraoxa-24-azahexacyclo[11.11.0.02,10.04,8.014,22.017,21]tetracosa-1(13),2,4(8),9,11,14(22),15,17(21)-octaen-23-yl]propan-2-one |
| Canonical SMILES | O=C(C[C@@H]1c2c3OCOc3ccc2c2c(N1C)c1cc3OCOc3cc1cc2)C[C@@H]1c2c3OCOc3ccc2c2c(N1C)c1cc3OCOc3cc1cc2 |
| Standard InCHI | InChI=1S/C43H32N2O9/c1-44-30(38-24(7-9-32-42(38)53-19-47-32)26-5-3-21-11-34-36(51-17-49-34)15-28(21)40(26)44)13-23(46)14-31-39-25(8-10-33-43(39)54-20-48-33)27-6-4-22-12-35-37(52-18-50-35)16-29(22)41(27)45(31)2/h3-12,15-16,30-31H,13-14,17-20H2,1-2H3/t30-,31-/m1/s1 |
| Standard InCHIKey | NIQFOSSBJJDEES-FIRIVFDPSA-N |
| External Identifiers | ChEMBL [N/A]; PubChem [101609071]; |
| Reference of Component-Ingredient Pair | N/A |
Occurrence of the ingredient across TCM components
Ingredient ID: TCMC69
Formula: C4H6O5
Ingredient ID: TCMC69
| Common Name | (2R)-2-Hydroxybutanedioic Acid |
| IUPAC Name | (2R)-2-hydroxybutanedioic acid |
| Canonical SMILES | OC(=O)C[C@H](C(=O)O)O |
| Standard InCHI | InChI=1S/C4H6O5/c5-2(4(8)9)1-3(6)7/h2,5H,1H2,(H,6,7)(H,8,9)/t2-/m1/s1 |
| Standard InCHIKey | BJEPYKJPYRNKOW-UWTATZPHSA-N |
| External Identifiers | ChEMBL [CHEMBL225986]; PubChem [92824]; |
| Reference of Component-Ingredient Pair | N/A |
Occurrence of the ingredient across TCM components
| Component ID | Latin Name | Pinyin Name | Chinese Name |
|---|---|---|---|
| TCMH1008 | Pogostemon cablin | Huo Xiang | 藿香 |
| TCMH1009 | Pogostemon cablin | Huo Xiang Ye | 藿香叶 |
| TCMH101 | Chelidonium majus | Bai Qu Cai | 白屈菜 |
| TCMH1175 | Cornus officinalis | Jiu Yu Rou | 酒萸肉 |
| TCMH1211 | Melia azedarach | Ku Lian Pi | 苦楝皮 |
| TCMH1212 | Melia azedarach | Ku Lian Zi | 苦楝子 |
| TCMH1223 | Tussilago farfara | Kuan Dong Hua | 款冬花 |
| TCMH1343 | Aloe vera | Lu Hui | 芦荟 |
| TCMH1483 | Tussilago farfara | Mi Kuan Dong Hua | 蜜款冬花 |
| TCMH1661 | Rhizoma homalomenae occultae | Qian Nian Jian | 千年健 |
Showing 1 to 10 of 36 entries
Ingredient ID: TCMC658
Formula: C21H23NO5
Ingredient ID: TCMC658
| Common Name | Allocryptopine |
| IUPAC Name | n.a. |
| Canonical SMILES | COc1c(OC)ccc2c1CN(C)CCc1c(C(=O)C2)cc2c(c1)OCO2 |
| Standard InCHI | InChI=1S/C21H23NO5/c1-22-7-6-14-9-19-20(27-12-26-19)10-15(14)17(23)8-13-4-5-18(24-2)21(25-3)16(13)11-22/h4-5,9-10H,6-8,11-12H2,1-3H3 |
| Standard InCHIKey | HYBRYAPKQCZIAE-UHFFFAOYSA-N |
| External Identifiers | ChEMBL [CHEMBL520043]; PubChem [98570]; |
| Reference of Component-Ingredient Pair | 23019888 |
Occurrence of the ingredient across TCM components
| Component ID | Latin Name | Pinyin Name | Chinese Name |
|---|---|---|---|
| TCMH101 | Chelidonium majus | Bai Qu Cai | 白屈菜 |
| TCMH1416 | Thalictrum foliolosum | Ma Wei Lian | 马尾连 |
| TCMH1460 | Zanthoxylum nitidum | Mao Liang Mian Zhen | 毛两面针 |
| TCMH2248 | Corydalis decumbens | Xia Tian Wu | 夏天无 |
| TCMH2376 | Corydalis yanhusuo | Yan Hu Suo | 延胡索 |
| TCMH297 | Swertia mussotii | Chuan Xi Zhang Ya Cai | 川西獐牙菜 |
Showing 1 to 6 of 6 entries
Ingredient ID: TCMC6560
Formula: C20H19NO5
Ingredient ID: TCMC6560
| Common Name | Chelidonine |
| IUPAC Name | (3R)-7,8-dimethoxy-17,19-dioxa-11-azapentacyclo[12.7.0.03,11.04,9.016,20]henicosa-1(21),4(9),5,7,14,16(20)-hexaen-10-one |
| Canonical SMILES | COc1c(OC)ccc2c1C(=O)N1[C@@H]2Cc2c(CC1)cc1c(c2)OCO1 |
| Standard InCHI | InChI=1S/C20H19NO5/c1-23-15-4-3-13-14-7-12-9-17-16(25-10-26-17)8-11(12)5-6-21(14)20(22)18(13)19(15)24-2/h3-4,8-9,14H,5-7,10H2,1-2H3/t14-/m1/s1 |
| Standard InCHIKey | GIVXYHGHGFITPJ-CQSZACIVSA-N |
| External Identifiers | ChEMBL [N/A]; PubChem [21771725]; |
| Reference of Component-Ingredient Pair | N/A |
Occurrence of the ingredient across TCM components
Ingredient ID: TCMC6342
Formula: C20H16NO4
Ingredient ID: TCMC6342
| Common Name | Worenine |
| IUPAC Name | 24-methyl-5,7,18,20-tetraoxa-13-azoniahexacyclo[11.11.0.02,10.04,8.015,23.017,21]tetracosa-1(24),2,4(8),9,13,15,17(21),22-octaene |
| Canonical SMILES | Cc1c2cc3OCOc3cc2c[n+]2c1c1cc3OCOc3cc1CC2 |
| Standard InCHI | InChI=1S/C20H16NO4/c1-11-14-6-18-17(23-10-24-18)5-13(14)8-21-3-2-12-4-16-19(25-9-22-16)7-15(12)20(11)21/h4-8H,2-3,9-10H2,1H3/q+1 |
| Standard InCHIKey | LCXREBMNASQAOC-UHFFFAOYSA-N |
| External Identifiers | ChEMBL [N/A]; PubChem [20055073]; |
| Reference of Component-Ingredient Pair | 23451500 |
Occurrence of the ingredient across TCM components
Ingredient ID: TCMC6023
Formula: C20H15NO5
Ingredient ID: TCMC6023
| Common Name | Sanguinarine |
| IUPAC Name | 3-hydroxy-2-methoxy-12-methyl-[1,3]benzodioxolo[5,6-c]phenanthridin-13-one |
| Canonical SMILES | COc1cc2c(cc1O)c1ccc3c(c1n(c2=O)C)cc1c(c3)OCO1 |
| Standard InCHI | InChI=1S/C20H15NO5/c1-21-19-11(13-6-15(22)16(24-2)8-14(13)20(21)23)4-3-10-5-17-18(7-12(10)19)26-9-25-17/h3-8,22H,9H2,1-2H3 |
| Standard InCHIKey | WTJIAZWJBWJFEY-UHFFFAOYSA-N |
| External Identifiers | ChEMBL [N/A]; PubChem [13855598]; |
| Reference of Component-Ingredient Pair | N/A |
Occurrence of the ingredient across TCM components
Ingredient ID: TCMC527
Formula: C27H30O15
Ingredient ID: TCMC527
| Common Name | 5,7-Dihydroxy-2-(4-Hydroxyphenyl)-3-[3,4,5-Trihydroxy-6-[(3,4,5-Trihydroxy-6-Methyloxan-2-Yl)Oxymethyl]Oxan-2-Yl]Oxychromen-4-One |
| IUPAC Name | 5,7-dihydroxy-2-(4-hydroxyphenyl)-3-[3,4,5-trihydroxy-6-[(3,4,5-trihydroxy-6-methyloxan-2-yl)oxymethyl]oxan-2-yl]oxychromen-4-one |
| Canonical SMILES | Oc1ccc(cc1)c1oc2cc(O)cc(c2c(=O)c1OC1OC(COC2OC(C)C(C(C2O)O)O)C(C(C1O)O)O)O |
| Standard InCHI | InChI=1S/C27H30O15/c1-9-17(31)20(34)22(36)26(39-9)38-8-15-18(32)21(35)23(37)27(41-15)42-25-19(33)16-13(30)6-12(29)7-14(16)40-24(25)10-2-4-11(28)5-3-10/h2-7,9,15,17-18,20-23,26-32,34-37H,8H2,1H3 |
| Standard InCHIKey | RTATXGUCZHCSNG-UHFFFAOYSA-N |
| External Identifiers | ChEMBL [CHEMBL1419228]; PubChem [12313332]; |
| 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 |
| TCMH101 | Chelidonium majus | Bai Qu Cai | 白屈菜 |
| TCMH1127 | Lonicera japonica | Jin Yin Hua | 金银花 |
| TCMH1128 | Lonicera japonica | Jin Yin Hua Ti Qu Ye | 金银花提取液 |
| TCMH1185 | Lycium chinense | Gou Qi | 枸杞 |
| TCMH1186 | Lycium chinense | Gou Qi Zi | 枸杞子 |
| TCMH1466 | Rosa rugosa | Mei Gui Hua | 玫瑰花 |
| TCMH1714 | Lonicera japonica | Ren Dong Teng | 忍冬藤 |
| TCMH1792 | Morus alba | Sang Pi | 桑皮 |
| TCMH1797 | Morus alba | Sang Ye | 桑叶 |
Showing 1 to 10 of 24 entries
Ingredient ID: TCMC4928
Formula: C8H11NO
Ingredient ID: TCMC4928
| Common Name | Tyramine |
| IUPAC Name | 6-methyl-5,7-dihydro-4H-furo[2,3-c]pyridine |
| Canonical SMILES | C[NH+]1CCc2c(C1)occ2 |
| Standard InCHI | InChI=1S/C8H11NO/c1-9-4-2-7-3-5-10-8(7)6-9/h3,5H,2,4,6H2,1H3/p+1 |
| Standard InCHIKey | KFHOHLYZHRZLBP-UHFFFAOYSA-O |
| External Identifiers | ChEMBL [N/A]; PubChem [5325719]; |
| Reference of Component-Ingredient Pair | US2017174646 |
Occurrence of the ingredient across TCM components
Ingredient ID: TCMC4325
Formula: C29H48O
Ingredient ID: TCMC4325
| Common Name | Α-Spinasterol |
| IUPAC Name | (3S,5S,9R,10S,13R,14R,17R)-17-[(E,2R,5S)-5-ethyl-6-methylhept-3-en-2-yl]-10,13-dimethyl-2,3,4,5,6,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-ol |
| Canonical SMILES | CC[C@@H](C(C)C)/C=C/[C@H]([C@H]1CC[C@@H]2[C@]1(C)CC[C@H]1C2=CC[C@@H]2[C@]1(C)CC[C@@H](C2)O)C |
| Standard InCHI | InChI=1S/C29H48O/c1-7-21(19(2)3)9-8-20(4)25-12-13-26-24-11-10-22-18-23(30)14-16-28(22,5)27(24)15-17-29(25,26)6/h8-9,11,19-23,25-27,30H,7,10,12-18H2,1-6H3/b9-8+/t20-,21-,22+,23+,25-,26+,27+,28+,29-/m1/s1 |
| Standard InCHIKey | JZVFJDZBLUFKCA-FXIAWGAOSA-N |
| External Identifiers | ChEMBL [N/A]; PubChem [5281331]; |
| Reference of Component-Ingredient Pair | 25757602 |
Occurrence of the ingredient across TCM components
| Component ID | Latin Name | Pinyin Name | Chinese Name |
|---|---|---|---|
| TCMH101 | Chelidonium majus | Bai Qu Cai | 白屈菜 |
| TCMH1080 | Platycodon grandiflorum | Jie Geng | 桔梗 |
| TCMH1588 | Achyranthes bidentata | Niu Xi | 牛膝 |
| TCMH2016 | Retinervus luffae fructus | Si Gua Luo | 丝瓜络 |
| TCMH228 | Bupleurum chinense | Chai Hu | 柴胡 |
| TCMH2725 | Fructus perillae | Zi Su Zi | 紫苏子 |
| TCMH426 | Codonopsis pilosula | Dang Shen | 党参 |
| TCMH705 | Trichosanthes kirilowii | Gua Lou | 瓜蒌 |
Showing 1 to 8 of 8 entries
Ingredient ID: TCMC4266
Formula: C5H9N3
Ingredient ID: TCMC4266
| Common Name | Histamine |
| IUPAC Name | 1,3-dimethylpyrazol-4-amine |
| Canonical SMILES | Cn1cc(c(n1)C)N |
| Standard InCHI | InChI=1S/C5H9N3/c1-4-5(6)3-8(2)7-4/h3H,6H2,1-2H3 |
| Standard InCHIKey | AXLKRXWNAFFPDB-UHFFFAOYSA-N |
| External Identifiers | ChEMBL [N/A]; PubChem [4431056]; |
| Reference of Component-Ingredient Pair | N/A |
Occurrence of the ingredient across TCM components
Ingredient ID: TCMC4145
Formula: C19H17NO4
Ingredient ID: TCMC4145
| Common Name | Stylopine |
| IUPAC Name | (1R)-5,7,17,19-tetraoxa-13-azahexacyclo[11.11.0.02,10.04,8.015,23.016,20]tetracosa-2,4(8),9,15(23),16(20),21-hexaene |
| Canonical SMILES | C1Oc2c(O1)cc1c(c2)CC[NH+]2[C@@H]1Cc1ccc3c(c1C2)OCO3 |
| Standard InCHI | InChI=1S/C19H17NO4/c1-2-16-19(24-10-21-16)14-8-20-4-3-12-6-17-18(23-9-22-17)7-13(12)15(20)5-11(1)14/h1-2,6-7,15H,3-5,8-10H2/p+1/t15-/m1/s1 |
| Standard InCHIKey | UXYJCYXWJGAKQY-OAHLLOKOSA-O |
| External Identifiers | ChEMBL [N/A]; PubChem [697545]; |
| Reference of Component-Ingredient Pair | 28633475 |
Occurrence of the ingredient across TCM components
Ingredient ID: TCMC3953
Formula: C22H20NO5
Ingredient ID: TCMC3953
| Common Name | Chelilutine |
| IUPAC Name | 1,2,4-trimethoxy-12-methyl-[1,3]benzodioxolo[5,6-c]phenanthridin-12-ium |
| Canonical SMILES | COc1cc(OC)c(c2c1c1ccc3c(c1[n+](c2)C)cc1c(c3)OCO1)OC |
| Standard InCHI | InChI=1S/C22H20NO5/c1-23-10-15-20(18(24-2)9-19(25-3)22(15)26-4)13-6-5-12-7-16-17(28-11-27-16)8-14(12)21(13)23/h5-10H,11H2,1-4H3/q+1 |
| Standard InCHIKey | LZJHNXHYKRKCDZ-UHFFFAOYSA-N |
| External Identifiers | ChEMBL [N/A]; PubChem [443720]; |
| Reference of Component-Ingredient Pair | 11135299 |
Occurrence of the ingredient across TCM components
Ingredient ID: TCMC3951
Formula: C20H13NO5
Ingredient ID: TCMC3951
| Common Name | Oxysanguinarine |
| IUPAC Name | 24-methyl-5,7,18,20-tetraoxa-24-azahexacyclo[11.11.0.02,10.04,8.014,22.017,21]tetracosa-1(13),2,4(8),9,11,14(22),15,17(21)-octaen-23-one |
| Canonical SMILES | Cn1c(=O)c2c3OCOc3ccc2c2c1c1cc3OCOc3cc1cc2 |
| Standard InCHI | InChI=1S/C20H13NO5/c1-21-18-12(3-2-10-6-15-16(7-13(10)18)25-8-24-15)11-4-5-14-19(26-9-23-14)17(11)20(21)22/h2-7H,8-9H2,1H3 |
| Standard InCHIKey | UFHGABBBZRPRJV-UHFFFAOYSA-N |
| External Identifiers | ChEMBL [N/A]; PubChem [443716]; |
| Reference of Component-Ingredient Pair | 25116797 |
Occurrence of the ingredient across TCM components
Ingredient ID: TCMC3774
Formula: C29H60O
Ingredient ID: TCMC3774
| Common Name | 10-Nonacosanol |
| IUPAC Name | (10R)-nonacosan-10-ol |
| Canonical SMILES | CCCCCCCCCCCCCCCCCCC[C@@H](CCCCCCCCC)O |
| Standard InCHI | InChI=1S/C29H60O/c1-3-5-7-9-11-12-13-14-15-16-17-18-19-20-22-24-26-28-29(30)27-25-23-21-10-8-6-4-2/h29-30H,3-28H2,1-2H3/t29-/m1/s1 |
| Standard InCHIKey | CPGCVOVWHCWVTP-GDLZYMKVSA-N |
| External Identifiers | ChEMBL [N/A]; PubChem [342803]; |
| Reference of Component-Ingredient Pair | N/A |
Occurrence of the ingredient across TCM components
Ingredient ID: TCMC3619
Formula: C21H23NO5
Ingredient ID: TCMC3619
| Common Name | Homochelidonine |
| IUPAC Name | (4bR,5S,11bS)-1,2-dimethoxy-12-methyl-5,6,11b,13-tetrahydro-4bH-[1,3]benzodioxolo[5,6-c]phenanthridin-5-ol |
| Canonical SMILES | COc1c(OC)ccc2c1C[NH+](C)[C@H]1[C@@H]2[C@@H](O)Cc2c1cc1OCOc1c2 |
| Standard InCHI | InChI=1S/C21H23NO5/c1-22-9-14-12(4-5-16(24-2)21(14)25-3)19-15(23)6-11-7-17-18(27-10-26-17)8-13(11)20(19)22/h4-5,7-8,15,19-20,23H,6,9-10H2,1-3H3/p+1/t15-,19-,20+/m0/s1 |
| Standard InCHIKey | MADYLZJCRKUBIK-RYGJVYDSSA-O |
| External Identifiers | ChEMBL [N/A]; PubChem [164609]; |
| Reference of Component-Ingredient Pair | 26969379 |
Occurrence of the ingredient across TCM components
Ingredient ID: TCMC3592
Formula: C21H16NO5
Ingredient ID: TCMC3592
| Common Name | Chelirubine |
| IUPAC Name | 15-methoxy-24-methyl-5,7,18,20-tetraoxa-24-azoniahexacyclo[11.11.0.02,10.04,8.014,22.017,21]tetracosa-1(13),2,4(8),9,11,14,16,21,23-nonaene |
| Canonical SMILES | COc1cc2OCOc2c2c1c1ccc3c(c1[n+](c2)C)cc1c(c3)OCO1 |
| Standard InCHI | InChI=1S/C21H16NO5/c1-22-8-14-19(17(23-2)7-18-21(14)27-10-26-18)12-4-3-11-5-15-16(25-9-24-15)6-13(11)20(12)22/h3-8H,9-10H2,1-2H3/q+1 |
| Standard InCHIKey | RNSBFHHWMMKJAM-UHFFFAOYSA-N |
| External Identifiers | ChEMBL [N/A]; PubChem [161243]; |
| Reference of Component-Ingredient Pair | 21512447 |
Occurrence of the ingredient across TCM components
Ingredient ID: TCMC3293
Formula: C19H40O
Ingredient ID: TCMC3293
| Common Name | Nonacasyl Alcohol-10 |
| IUPAC Name | nonadecan-10-ol |
| Canonical SMILES | CCCCCCCCCC(CCCCCCCCC)O |
| Standard InCHI | InChI=1S/C19H40O/c1-3-5-7-9-11-13-15-17-19(20)18-16-14-12-10-8-6-4-2/h19-20H,3-18H2,1-2H3 |
| Standard InCHIKey | ACMBVSPXQQUNOF-UHFFFAOYSA-N |
| External Identifiers | ChEMBL [N/A]; PubChem [85611]; |
| Reference of Component-Ingredient Pair | N/A |
Occurrence of the ingredient across TCM components
Ingredient ID: TCMC3238
Formula: C19H14NO4
Ingredient ID: TCMC3238
| Common Name | Coptisine |
| IUPAC Name | 5,7,17,19-tetraoxa-13-azoniahexacyclo[11.11.0.02,10.04,8.015,23.016,20]tetracosa-1(13),2,4(8),9,14,16(20),21,23-octaene |
| Canonical SMILES | C1Oc2c(O1)cc1c(c2)CC[n+]2c1cc1ccc3c(c1c2)OCO3 |
| Standard InCHI | InChI=1S/C19H14NO4/c1-2-16-19(24-10-21-16)14-8-20-4-3-12-6-17-18(23-9-22-17)7-13(12)15(20)5-11(1)14/h1-2,5-8H,3-4,9-10H2/q+1 |
| Standard InCHIKey | XYHOBCMEDLZUMP-UHFFFAOYSA-N |
| External Identifiers | ChEMBL [CHEMBL362071]; PubChem [72322]; |
| Reference of Component-Ingredient Pair | 22883103 |
Occurrence of the ingredient across TCM components
Ingredient ID: TCMC3164
Formula: C5H15NO2
Ingredient ID: TCMC3164
| Common Name | Choline |
| IUPAC Name | 2-hydroxyethyl(trimethyl)azanium;hydroxide |
| Canonical SMILES | OCC[N+](C)(C)C.[OH-] |
| Standard InCHI | InChI=1S/C5H14NO.H2O/c1-6(2,3)4-5-7;/h7H,4-5H2,1-3H3;1H2/q+1;/p-1 |
| Standard InCHIKey | KIZQNNOULOCVDM-UHFFFAOYSA-M |
| External Identifiers | ChEMBL [CHEMBL3187547]; PubChem [31255]; |
| Reference of Component-Ingredient Pair | 25688288 |
Occurrence of the ingredient across TCM components
Ingredient ID: TCMC2928
Formula: C7H4O6
Ingredient ID: TCMC2928
| Common Name | Chelidonic Acid |
| IUPAC Name | 4-oxopyran-2,6-dicarboxylic acid |
| Canonical SMILES | [O-]C(=O)c1oc(cc(=O)c1)C(=O)[O-] |
| Standard InCHI | InChI=1S/C7H4O6/c8-3-1-4(6(9)10)13-5(2-3)7(11)12/h1-2H,(H,9,10)(H,11,12)/p-2 |
| Standard InCHIKey | PBAYDYUZOSNJGU-UHFFFAOYSA-L |
| External Identifiers | ChEMBL [N/A]; PubChem [7431]; |
| Reference of Component-Ingredient Pair | 17478903 |
Occurrence of the ingredient across TCM components
Ingredient ID: TCMC2917
Formula: C15H26N2
Ingredient ID: TCMC2917
| Common Name | Sparteine |
| IUPAC Name | (1R,2S,9R,10R)-7,15-diazatetracyclo[7.7.1.02,7.010,15]heptadecane |
| Canonical SMILES | C1CC[C@@H]2[NH+](C1)C[C@H]1C[C@@H]2C[NH+]2[C@@H]1CCCC2 |
| Standard InCHI | InChI=1S/C15H26N2/c1-3-7-16-11-13-9-12(14(16)5-1)10-17-8-4-2-6-15(13)17/h12-15H,1-11H2/p+2/t12-,13-,14-,15+/m1/s1 |
| Standard InCHIKey | SLRCCWJSBJZJBV-TUVASFSCSA-P |
| External Identifiers | ChEMBL [CHEMBL412873]; PubChem [7014]; |
| Reference of Component-Ingredient Pair | 6517562 |
Occurrence of the ingredient across TCM components
Ingredient ID: TCMC2908
Formula: C19H17NO4
Ingredient ID: TCMC2908
| Common Name | Stylopine |
| IUPAC Name | 5,7,17,19-tetraoxa-13-azahexacyclo[11.11.0.02,10.04,8.015,23.016,20]tetracosa-2,4(8),9,15(23),16(20),21-hexaene |
| Canonical SMILES | C1Oc2c(O1)cc1c(c2)CC[NH+]2C1Cc1ccc3c(c1C2)OCO3 |
| Standard InCHI | InChI=1S/C19H17NO4/c1-2-16-19(24-10-21-16)14-8-20-4-3-12-6-17-18(23-9-22-17)7-13(12)15(20)5-11(1)14/h1-2,6-7,15H,3-5,8-10H2/p+1 |
| Standard InCHIKey | UXYJCYXWJGAKQY-UHFFFAOYSA-O |
| External Identifiers | ChEMBL [CHEMBL3343660]; PubChem [6770]; |
| Reference of Component-Ingredient Pair | 23358674 |
Occurrence of the ingredient across TCM components
Ingredient ID: TCMC2477
Formula: C27H30O15
Ingredient ID: TCMC2477
| Common Name | Kaempferol-3-O-Rutinoside |
| IUPAC Name | 5,7-dihydroxy-2-(4-hydroxyphenyl)-3-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-[[(2S,3S,4S,5S,6R)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxymethyl]oxan-2-yl]oxychromen-4-one |
| Canonical SMILES | Oc1ccc(cc1)c1oc2cc(O)cc(c2c(=O)c1O[C@@H]1O[C@H](CO[C@H]2O[C@H](C)[C@H]([C@@H]([C@@H]2O)O)O)[C@H]([C@@H]([C@H]1O)O)O)O |
| Standard InCHI | InChI=1S/C27H30O15/c1-9-17(31)20(34)22(36)26(39-9)38-8-15-18(32)21(35)23(37)27(41-15)42-25-19(33)16-13(30)6-12(29)7-14(16)40-24(25)10-2-4-11(28)5-3-10/h2-7,9,15,17-18,20-23,26-32,34-37H,8H2,1H3/t9-,15-,17-,18-,20+,21+,22+,23-,26+,27+/m1/s1 |
| Standard InCHIKey | RTATXGUCZHCSNG-WLPGYADJSA-N |
| External Identifiers | ChEMBL [CHEMBL398138]; PubChem [20055286]; |
| 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 |
| TCMH101 | Chelidonium majus | Bai Qu Cai | 白屈菜 |
| TCMH1127 | Lonicera japonica | Jin Yin Hua | 金银花 |
| TCMH1128 | Lonicera japonica | Jin Yin Hua Ti Qu Ye | 金银花提取液 |
| TCMH1185 | Lycium chinense | Gou Qi | 枸杞 |
| TCMH1186 | Lycium chinense | Gou Qi Zi | 枸杞子 |
| TCMH1466 | Rosa rugosa | Mei Gui Hua | 玫瑰花 |
| TCMH1714 | Lonicera japonica | Ren Dong Teng | 忍冬藤 |
| TCMH1792 | Morus alba | Sang Pi | 桑皮 |
| TCMH1797 | Morus alba | Sang Ye | 桑叶 |
Showing 1 to 10 of 24 entries
Ingredient ID: TCMC2352
Formula: C20H19NO4
Ingredient ID: TCMC2352
| Common Name | Dihydroberberine |
| IUPAC Name | n.a. |
| Canonical SMILES | COc1c(OC)ccc2c1CN1CCc3c(C1=C2)cc1c(c3)OCO1 |
| Standard InCHI | InChI=1S/C20H19NO4/c1-22-17-4-3-12-7-16-14-9-19-18(24-11-25-19)8-13(14)5-6-21(16)10-15(12)20(17)23-2/h3-4,7-9H,5-6,10-11H2,1-2H3 |
| Standard InCHIKey | FZAGOOYMTPGPGF-UHFFFAOYSA-N |
| External Identifiers | ChEMBL [CHEMBL11848]; PubChem [10217]; |
| Reference of Component-Ingredient Pair | N/A |
Occurrence of the ingredient across TCM components
Ingredient ID: TCMC2291
Formula: C20H19NO5
Ingredient ID: TCMC2291
| Common Name | Chelidonine |
| IUPAC Name | n.a. |
| Canonical SMILES | CN1Cc2c([C@@H]3[C@H]1c1cc4OCOc4cc1C[C@@H]3O)ccc1c2OCO1 |
| Standard InCHI | InChI=1S/C20H19NO5/c1-21-7-13-11(2-3-15-20(13)26-9-23-15)18-14(22)4-10-5-16-17(25-8-24-16)6-12(10)19(18)21/h2-3,5-6,14,18-19,22H,4,7-9H2,1H3/t14-,18-,19+/m0/s1 |
| Standard InCHIKey | GHKISGDRQRSCII-ZOCIIQOWSA-N |
| External Identifiers | ChEMBL [CHEMBL496867]; PubChem [197810]; |
| Reference of Component-Ingredient Pair | 21726876 |
Occurrence of the ingredient across TCM components
Ingredient ID: TCMC2215
Formula: C24H40O4
Ingredient ID: TCMC2215
| Common Name | Ursodiol |
| IUPAC Name | (4R)-4-[(3R,5S,7S,8R,9S,10S,13R,14S,17R)-3,7-dihydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]pentanoic acid |
| Canonical SMILES | O[C@@H]1CC[C@]2([C@@H](C1)C[C@@H]([C@@H]1[C@@H]2CC[C@]2([C@H]1CC[C@@H]2[C@@H](CCC(=O)O)C)C)O)C |
| Standard InCHI | InChI=1S/C24H40O4/c1-14(4-7-21(27)28)17-5-6-18-22-19(9-11-24(17,18)3)23(2)10-8-16(25)12-15(23)13-20(22)26/h14-20,22,25-26H,4-13H2,1-3H3,(H,27,28)/t14-,15+,16-,17-,18+,19+,20+,22+,23+,24-/m1/s1 |
| Standard InCHIKey | RUDATBOHQWOJDD-UZVSRGJWSA-N |
| External Identifiers | ChEMBL [CHEMBL1551]; PubChem [31401]; |
| Reference of Component-Ingredient Pair | N/A |
Occurrence of the ingredient across TCM components
Ingredient ID: TCMC2199
Formula: C8H11NO
Ingredient ID: TCMC2199
| Common Name | Tyramine |
| IUPAC Name | 4-(2-aminoethyl)phenol |
| Canonical SMILES | NCCc1ccc(cc1)O |
| Standard InCHI | InChI=1S/C8H11NO/c9-6-5-7-1-3-8(10)4-2-7/h1-4,10H,5-6,9H2 |
| Standard InCHIKey | DZGWFCGJZKJUFP-UHFFFAOYSA-N |
| External Identifiers | ChEMBL [CHEMBL11608]; PubChem [5610]; |
| Reference of Component-Ingredient Pair | 27986436 |
Occurrence of the ingredient across TCM components
| Component ID | Latin Name | Pinyin Name | Chinese Name |
|---|---|---|---|
| TCMH101 | Chelidonium majus | Bai Qu Cai | 白屈菜 |
| TCMH1178 | Citrus reticulata | Ju He | 橘核 |
| TCMH1184 | Citrus reticulata | Ju Pi | 橘皮 |
| TCMH1296 | Ganoderma lucidum | Ling Zhi Jin Gao | 灵芝浸膏 |
| TCMH1299 | Ganoderma lucidum | Ling Zhi(1) | 灵芝 |
| TCMH1430 | Hordeum vulgare | Mai Ya | 麦芽 |
| TCMH1734 | Homo sapiens | Ren Zhong Bai | 人中白 |
| TCMH1854 | Crataegi folium | Shan Zha Ye | 山楂叶 |
| TCMH1987 | Silybum marianum | Shui Fei Ji | 水飞蓟 |
| TCMH253 | Citrus aurantium | Cheng Pi | 橙皮 |
Showing 1 to 10 of 17 entries
Ingredient ID: TCMC2146
Formula: C20H21NO4
Ingredient ID: TCMC2146
| Common Name | Tetrahydroberberine |
| IUPAC Name | n.a. |
| Canonical SMILES | COc1c(OC)ccc2c1CN1CCc3c(C1C2)cc1c(c3)OCO1 |
| Standard InCHI | InChI=1S/C20H21NO4/c1-22-17-4-3-12-7-16-14-9-19-18(24-11-25-19)8-13(14)5-6-21(16)10-15(12)20(17)23-2/h3-4,8-9,16H,5-7,10-11H2,1-2H3 |
| Standard InCHIKey | VZTUIEROBZXUFA-UHFFFAOYSA-N |
| External Identifiers | ChEMBL [CHEMBL275097]; PubChem [34458]; |
| Reference of Component-Ingredient Pair | 23934770 |
Occurrence of the ingredient across TCM components
| Component ID | Latin Name | Pinyin Name | Chinese Name |
|---|---|---|---|
| TCMH101 | Chelidonium majus | Bai Qu Cai | 白屈菜 |
| TCMH2339 | Rhizoma corydalis | Xuan Hu | 玄胡 |
| TCMH2374 | Phellodendron amurense | Yan Guan Huang Bai | 盐关黄柏 |
| TCMH2376 | Corydalis yanhusuo | Yan Hu Suo | 延胡索 |
| TCMH2552 | Rhizoma corydalis | Yuan Hu | 元胡 |
| TCMH2636 | Rhizoma corydalis | Zhi Xuan Hu | 制玄胡 |
| TCMH717 | Phellodendron amurense | Guan Huang Bai | 关黄柏 |
| TCMH949 | Phellodendron amurense | Huang Bai | 黄柏 |
| TCMH950 | Phellodendron amurense | Huang Bai Fen | 黄柏粉 |
| TCMH951 | Phellodendron amurense | Huang Bai Tan | 黄柏炭 |
Showing 1 to 10 of 10 entries
Ingredient ID: TCMC2111
Formula: C4H6O4
Ingredient ID: TCMC2111
| Common Name | Succinic Acid |
| IUPAC Name | butanedioic acid |
| Canonical SMILES | OC(=O)CCC(=O)O |
| Standard InCHI | InChI=1S/C4H6O4/c5-3(6)1-2-4(7)8/h1-2H2,(H,5,6)(H,7,8) |
| Standard InCHIKey | KDYFGRWQOYBRFD-UHFFFAOYSA-N |
| External Identifiers | ChEMBL [CHEMBL576]; PubChem [1110]; |
| Reference of Component-Ingredient Pair | 29968805 |
Occurrence of the ingredient across TCM components
| Component ID | Latin Name | Pinyin Name | Chinese Name |
|---|---|---|---|
| TCMH1008 | Pogostemon cablin | Huo Xiang | 藿香 |
| TCMH1009 | Pogostemon cablin | Huo Xiang Ye | 藿香叶 |
| TCMH101 | Chelidonium majus | Bai Qu Cai | 白屈菜 |
| TCMH103 | Thesium chinense | Bai Rui Cao | 百蕊草 |
| TCMH1033 | Centella asiatica | Ji Xue Cao | 积雪草 |
| TCMH1036 | Spatholobus suberectus | Ji Xue Teng | 鸡血藤 |
| TCMH1037 | Spatholobus suberectus | Ji Xue Teng Gan Gao | 鸡血藤干膏 |
| TCMH1038 | Spatholobus suberectus | Ji Xue Teng Gao | 鸡血藤膏 |
| TCMH1117 | Rhizoma fagopyri cymosi | Jin Qiao Mai | 金荞麦 |
| TCMH1122 | Psammosilene tunicoides | Jin Tie Suo | 金铁锁 |
Showing 1 to 10 of 90 entries
Ingredient ID: TCMC2044
Formula: C20H14NO4
Ingredient ID: TCMC2044
| Common Name | Sanguinarium |
| IUPAC Name | n.a. |
| Canonical SMILES | C[n+]1cc2c3OCOc3ccc2c2c1c1cc3OCOc3cc1cc2 |
| Standard InCHI | InChI=1S/C20H14NO4/c1-21-8-15-12(4-5-16-20(15)25-10-22-16)13-3-2-11-6-17-18(24-9-23-17)7-14(11)19(13)21/h2-8H,9-10H2,1H3/q+1 |
| Standard InCHIKey | INVGWHRKADIJHF-UHFFFAOYSA-N |
| External Identifiers | ChEMBL [CHEMBL417799]; PubChem [5154]; |
| Reference of Component-Ingredient Pair | 25603235 |
Occurrence of the ingredient across TCM components
| Component ID | Latin Name | Pinyin Name | Chinese Name |
|---|---|---|---|
| TCMH101 | Chelidonium majus | Bai Qu Cai | 白屈菜 |
| TCMH1205 | Corydalis bungeana | Ku Di Ding | 苦地丁 |
| TCMH1460 | Zanthoxylum nitidum | Mao Liang Mian Zhen | 毛两面针 |
| TCMH1489 | Papaver somniferum | Mi Ying Su Ke | 蜜罂粟壳 |
| TCMH2514 | Papaver somniferum | Ying Su | 罂粟 |
| TCMH2515 | Papaver somniferum | Ying Su Ke | 罂粟壳 |
| TCMH444 | Corydalis bungeana | Di Ding | 地丁 |
Showing 1 to 7 of 7 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: TCMC1957
Formula: C20H19NO5
Ingredient ID: TCMC1957
| Common Name | Protopine |
| IUPAC Name | n.a. |
| Canonical SMILES | CN1CCc2cc3OCOc3cc2C(=O)Cc2c(C1)cc1OCOc1c2 |
| Standard InCHI | InChI=1S/C20H19NO5/c1-21-3-2-12-5-17-20(26-11-23-17)8-15(12)16(22)4-13-6-18-19(25-10-24-18)7-14(13)9-21/h5-8H,2-4,9-11H2,1H3 |
| Standard InCHIKey | ZAALQOFZFANFTF-UHFFFAOYSA-N |
| External Identifiers | ChEMBL [CHEMBL486179]; PubChem [185559]; |
| Reference of Component-Ingredient Pair | N/A |
Occurrence of the ingredient across TCM components
| Component ID | Latin Name | Pinyin Name | Chinese Name |
|---|---|---|---|
| TCMH101 | Chelidonium majus | Bai Qu Cai | 白屈菜 |
| TCMH1205 | Corydalis bungeana | Ku Di Ding | 苦地丁 |
| TCMH1416 | Thalictrum foliolosum | Ma Wei Lian | 马尾连 |
| TCMH1489 | Papaver somniferum | Mi Ying Su Ke | 蜜罂粟壳 |
| TCMH1721 | Panax ginseng | Ren Shen | 人参 |
| TCMH1728 | Panax ginseng | Ren Shen Ye | 人参叶 |
| TCMH1839 | Panax ginseng | Shan Shen | 山参 |
| TCMH2248 | Corydalis decumbens | Xia Tian Wu | 夏天无 |
| TCMH2339 | Rhizoma corydalis | Xuan Hu | 玄胡 |
| TCMH2376 | Corydalis yanhusuo | Yan Hu Suo | 延胡索 |
Showing 1 to 10 of 16 entries
Ingredient ID: TCMC1839
Formula: C7H6O3
Ingredient ID: TCMC1839
| Common Name | Paraben |
| IUPAC Name | 4-oxoniobenzoate |
| Canonical SMILES | Oc1ccc(cc1)C(=O)O |
| Standard InCHI | InChI=1S/C7H6O3/c8-6-3-1-5(2-4-6)7(9)10/h1-4,8H,(H,9,10) |
| Standard InCHIKey | FJKROLUGYXJWQN-UHFFFAOYSA-N |
| External Identifiers | ChEMBL [CHEMBL441343]; PubChem [3702506]; |
| Reference of Component-Ingredient Pair | 8087979 |
Occurrence of the ingredient across TCM components
| Component ID | Latin Name | Pinyin Name | Chinese Name |
|---|---|---|---|
| TCMH1008 | Pogostemon cablin | Huo Xiang | 藿香 |
| TCMH1009 | Pogostemon cablin | Huo Xiang Ye | 藿香叶 |
| TCMH101 | Chelidonium majus | Bai Qu Cai | 白屈菜 |
| TCMH108 | Perilla frutescens | Bai Su Zi | 白苏子 |
| TCMH1105 | Trollius chinensis | Jin Lian Hua | 金莲花 |
| TCMH1146 | Oryza sativa | Jing Mi | 粳米 |
| TCMH1178 | Citrus reticulata | Ju He | 橘核 |
| TCMH1184 | Citrus reticulata | Ju Pi | 橘皮 |
| TCMH1211 | Melia azedarach | Ku Lian Pi | 苦楝皮 |
| TCMH1212 | Melia azedarach | Ku Lian Zi | 苦楝子 |
Showing 1 to 10 of 162 entries
Ingredient ID: 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: TCMC1733
Formula: C28H32O16
Ingredient ID: TCMC1733
| Common Name | Narcissin |
| IUPAC Name | 5,7-dihydroxy-2-(4-hydroxy-3-methoxyphenyl)-3-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-[[(2R,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxymethyl]oxan-2-yl]oxychromen-4-one |
| Canonical SMILES | COc1cc(ccc1O)c1oc2cc(O)cc(c2c(=O)c1O[C@@H]1O[C@H](CO[C@@H]2O[C@@H](C)[C@@H]([C@H]([C@H]2O)O)O)[C@H]([C@@H]([C@H]1O)O)O)O |
| Standard InCHI | InChI=1S/C28H32O16/c1-9-18(32)21(35)23(37)27(41-9)40-8-16-19(33)22(36)24(38)28(43-16)44-26-20(34)17-13(31)6-11(29)7-15(17)42-25(26)10-3-4-12(30)14(5-10)39-2/h3-7,9,16,18-19,21-24,27-33,35-38H,8H2,1-2H3/t9-,16+,18-,19+,21+,22-,23+,24+,27+,28-/m0/s1 |
| Standard InCHIKey | UIDGLYUNOUKLBM-GEBJFKNCSA-N |
| External Identifiers | ChEMBL [CHEMBL258394]; PubChem [5481663]; |
| Reference of Component-Ingredient Pair | 16261518 |
Occurrence of the ingredient across TCM components
| Component ID | Latin Name | Pinyin Name | Chinese Name |
|---|---|---|---|
| TCMH1000 | Foeniculum vulgare | Hui Xiang | 茴香 |
| TCMH101 | Chelidonium majus | Bai Qu Cai | 白屈菜 |
| TCMH1185 | Lycium chinense | Gou Qi | 枸杞 |
| TCMH1186 | Lycium chinense | Gou Qi Zi | 枸杞子 |
| TCMH1275 | Nelumbo nucifera | Lian Zi | 莲子 |
| TCMH1276 | Nelumbo nucifera | Lian Zi Xin | 莲子心 |
| TCMH1383 | Onobrychis viciifolia | Lv Dou | 绿豆 |
| TCMH1475 | Glycyrrhiza uralensis | Mi Gan Cao | 蜜甘草 |
| TCMH1598 | Nelumbo nucifera | Ou | 藕 |
| TCMH1599 | Nelumbo nucifera | Ou Fen | 藕粉 |
Showing 1 to 10 of 35 entries
Ingredient ID: TCMC1659
Formula: C20H19NO5
Ingredient ID: TCMC1659
| Common Name | n.a. |
| IUPAC Name | n.a. |
| Canonical SMILES | CN1CCc2cc3OCOc3cc2C(=O)Cc2c(C1)c1OCOc1cc2 |
| Standard InCHI | InChI=1S/C20H19NO5/c1-21-5-4-13-7-18-19(25-10-24-18)8-14(13)16(22)6-12-2-3-17-20(15(12)9-21)26-11-23-17/h2-3,7-8H,4-6,9-11H2,1H3 |
| Standard InCHIKey | GPTFURBXHJWNHR-UHFFFAOYSA-N |
| External Identifiers | ChEMBL [CHEMBL453019]; PubChem [4970]; |
| Reference of Component-Ingredient Pair | 22921420 |
Occurrence of the ingredient across TCM components
| Component ID | Latin Name | Pinyin Name | Chinese Name |
|---|---|---|---|
| TCMH101 | Chelidonium majus | Bai Qu Cai | 白屈菜 |
| TCMH1205 | Corydalis bungeana | Ku Di Ding | 苦地丁 |
| TCMH1489 | Papaver somniferum | Mi Ying Su Ke | 蜜罂粟壳 |
| TCMH1721 | Panax ginseng | Ren Shen | 人参 |
| TCMH1728 | Panax ginseng | Ren Shen Ye | 人参叶 |
| TCMH1839 | Panax ginseng | Shan Shen | 山参 |
| TCMH2248 | Corydalis decumbens | Xia Tian Wu | 夏天无 |
| TCMH2374 | Phellodendron amurense | Yan Guan Huang Bai | 盐关黄柏 |
| TCMH2376 | Corydalis yanhusuo | Yan Hu Suo | 延胡索 |
| TCMH2514 | Papaver somniferum | Ying Su | 罂粟 |
Showing 1 to 10 of 18 entries
Ingredient ID: TCMC1656
Formula: C21H23NO5
Ingredient ID: TCMC1656
| Common Name | n.a. |
| IUPAC Name | n.a. |
| Canonical SMILES | COc1cc2C(=O)Cc3ccc4c(c3CN(CCc2cc1OC)C)OCO4 |
| Standard InCHI | InChI=1S/C21H23NO5/c1-22-7-6-14-9-19(24-2)20(25-3)10-15(14)17(23)8-13-4-5-18-21(16(13)11-22)27-12-26-18/h4-5,9-10H,6-8,11-12H2,1-3H3 |
| Standard InCHIKey | XPOJSWHIKCNLEQ-UHFFFAOYSA-N |
| External Identifiers | ChEMBL [CHEMBL1339015]; PubChem [72616]; |
| Reference of Component-Ingredient Pair | N/A |
Occurrence of the ingredient across TCM components
Ingredient ID: TCMC1621
Formula: C20H21NO4
Ingredient ID: TCMC1621
| Common Name | n.a. |
| IUPAC Name | n.a. |
| Canonical SMILES | COc1c(OC)ccc2c1CN1CCc3c([C@H]1C2)cc1c(c3)OCO1 |
| Standard InCHI | InChI=1S/C20H21NO4/c1-22-17-4-3-12-7-16-14-9-19-18(24-11-25-19)8-13(14)5-6-21(16)10-15(12)20(17)23-2/h3-4,8-9,16H,5-7,10-11H2,1-2H3/t16-/m1/s1 |
| Standard InCHIKey | VZTUIEROBZXUFA-MRXNPFEDSA-N |
| External Identifiers | ChEMBL [CHEMBL476501]; PubChem [443422]; |
| Reference of Component-Ingredient Pair | N/A |
Occurrence of the ingredient across TCM components
| Component ID | Latin Name | Pinyin Name | Chinese Name |
|---|---|---|---|
| TCMH101 | Chelidonium majus | Bai Qu Cai | 白屈菜 |
| TCMH2374 | Phellodendron amurense | Yan Guan Huang Bai | 盐关黄柏 |
| TCMH2376 | Corydalis yanhusuo | Yan Hu Suo | 延胡索 |
| TCMH717 | Phellodendron amurense | Guan Huang Bai | 关黄柏 |
| TCMH949 | Phellodendron amurense | Huang Bai | 黄柏 |
| TCMH950 | Phellodendron amurense | Huang Bai Fen | 黄柏粉 |
| TCMH951 | Phellodendron amurense | Huang Bai Tan | 黄柏炭 |
Showing 1 to 7 of 7 entries
Ingredient ID: TCMC1409
Formula: C21H20O12
Ingredient ID: TCMC1409
| Common Name | Isoquercetin |
| IUPAC Name | 2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-3-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxychromen-4-one |
| Canonical SMILES | OC[C@H]1O[C@@H](Oc2c(oc3c(c2=O)c(O)cc(c3)O)c2ccc(c(c2)O)O)[C@@H]([C@H]([C@@H]1O)O)O |
| Standard InCHI | InChI=1S/C21H20O12/c22-6-13-15(27)17(29)18(30)21(32-13)33-20-16(28)14-11(26)4-8(23)5-12(14)31-19(20)7-1-2-9(24)10(25)3-7/h1-5,13,15,17-18,21-27,29-30H,6H2/t13-,15-,17+,18-,21+/m1/s1 |
| Standard InCHIKey | OVSQVDMCBVZWGM-QSOFNFLRSA-N |
| External Identifiers | ChEMBL [CHEMBL250450]; PubChem [5280804]; |
| Reference of Component-Ingredient Pair | 22667148 |
Occurrence of the ingredient across TCM components
| Component ID | Latin Name | Pinyin Name | Chinese Name |
|---|---|---|---|
| TCMH1000 | Foeniculum vulgare | Hui Xiang | 茴香 |
| TCMH101 | Chelidonium majus | Bai Qu Cai | 白屈菜 |
| TCMH1032 | Impatiens balsamina | Ji Xing Zi | 急性子 |
| TCMH1033 | Centella asiatica | Ji Xue Cao | 积雪草 |
| TCMH1127 | Lonicera japonica | Jin Yin Hua | 金银花 |
| TCMH1128 | Lonicera japonica | Jin Yin Hua Ti Qu Ye | 金银花提取液 |
| TCMH1144 | Schizonepetae herba | Jing Jie Tan | 荆芥炭 |
| TCMH1175 | Cornus officinalis | Jiu Yu Rou | 酒萸肉 |
| TCMH1198 | Rostellularia procumbens | Jue Chuang | 爵床 |
| TCMH12 | Artemisia argyi | Ai Ye | 艾叶 |
Showing 1 to 10 of 161 entries
Ingredient ID: TCMC1330
Formula: C5H9N3
Ingredient ID: TCMC1330
| Common Name | Histamine |
| IUPAC Name | 2-(1H-imidazol-5-yl)ethanamine |
| Canonical SMILES | NCCc1cnc[nH]1 |
| Standard InCHI | InChI=1S/C5H9N3/c6-2-1-5-3-7-4-8-5/h3-4H,1-2,6H2,(H,7,8) |
| Standard InCHIKey | NTYJJOPFIAHURM-UHFFFAOYSA-N |
| External Identifiers | ChEMBL [CHEMBL90]; PubChem [774]; |
| Reference of Component-Ingredient Pair | 29968805 |
Occurrence of the ingredient across TCM components
| Component ID | Latin Name | Pinyin Name | Chinese Name |
|---|---|---|---|
| TCMH101 | Chelidonium majus | Bai Qu Cai | 白屈菜 |
| TCMH1263 | Cyprinus carpio | Li Yu | 鲤鱼 |
| TCMH1484 | Apis cerana | Mi La | 蜜蜡 |
| TCMH1734 | Homo sapiens | Ren Zhong Bai | 人中白 |
| TCMH240 | Plantago depressa | Che Qian Cao | 车前草 |
| TCMH2710 | Homo sapiens | Zi He Che | 紫河车 |
| TCMH583 | Apis cerana | Feng Mi | 蜂蜜 |
Showing 1 to 7 of 7 entries
Ingredient ID: TCMC1237
Formula: C7H6O4
Ingredient ID: TCMC1237
| Common Name | Gentisic Acid |
| IUPAC Name | 2,5-dihydroxybenzoic acid |
| Canonical SMILES | Oc1ccc(c(c1)C(=O)O)O |
| Standard InCHI | InChI=1S/C7H6O4/c8-4-1-2-6(9)5(3-4)7(10)11/h1-3,8-9H,(H,10,11) |
| Standard InCHIKey | WXTMDXOMEHJXQO-UHFFFAOYSA-N |
| External Identifiers | ChEMBL [CHEMBL1461]; PubChem [3469]; |
| Reference of Component-Ingredient Pair | 22476602 |
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 |
| TCMH1033 | Centella asiatica | Ji Xue Cao | 积雪草 |
| TCMH1296 | Ganoderma lucidum | Ling Zhi Jin Gao | 灵芝浸膏 |
| TCMH1299 | Ganoderma lucidum | Ling Zhi(1) | 灵芝 |
| TCMH1322 | Solanum nigrum | Long Kui | 龙葵 |
| TCMH1343 | Aloe vera | Lu Hui | 芦荟 |
| TCMH1446 | Vaccinium oxycoccos | Man Yue Mei | 蔓越莓 |
| TCMH1466 | Rosa rugosa | Mei Gui Hua | 玫瑰花 |
| TCMH1518 | Chaenomeles sinensis | Mu Gua | 木瓜 |
Showing 1 to 10 of 30 entries
Ingredient ID: TCMC1180
Formula: C15H10O3
Ingredient ID: TCMC1180
| Common Name | Flavonol |
| IUPAC Name | 3-hydroxy-2-phenylchromen-4-one |
| Canonical SMILES | O=c1c(O)c(oc2c1cccc2)c1ccccc1 |
| Standard InCHI | InChI=1S/C15H10O3/c16-13-11-8-4-5-9-12(11)18-15(14(13)17)10-6-2-1-3-7-10/h1-9,17H |
| Standard InCHIKey | HVQAJTFOCKOKIN-UHFFFAOYSA-N |
| External Identifiers | ChEMBL [CHEMBL294009]; PubChem [11349]; |
| Reference of Component-Ingredient Pair | 23012691 |
Occurrence of the ingredient across TCM components
| Component ID | Latin Name | Pinyin Name | Chinese Name |
|---|---|---|---|
| TCMH101 | Chelidonium majus | Bai Qu Cai | 白屈菜 |
| TCMH1181 | Chrysanthemum morifolium | Ju Hua | 菊花 |
| 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 |
| TCMH809 | Chrysanthemum morifolium | Hang Ju | 杭菊 |
Showing 1 to 8 of 8 entries
Ingredient ID: TCMC1173
Formula: C10H10O4
Ingredient ID: TCMC1173
| Common Name | Ferulic Acid |
| IUPAC Name | (E)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoic acid |
| Canonical SMILES | COc1cc(/C=C/C(=O)O)ccc1O |
| Standard InCHI | InChI=1S/C10H10O4/c1-14-9-6-7(2-4-8(9)11)3-5-10(12)13/h2-6,11H,1H3,(H,12,13)/b5-3+ |
| Standard InCHIKey | KSEBMYQBYZTDHS-HWKANZROSA-N |
| External Identifiers | ChEMBL [CHEMBL32749]; PubChem [445858]; |
| Reference of Component-Ingredient Pair | 25130191 |
Occurrence of the ingredient across TCM components
| Component ID | Latin Name | Pinyin Name | Chinese Name |
|---|---|---|---|
| TCMH1000 | Foeniculum vulgare | Hui Xiang | 茴香 |
| TCMH101 | Chelidonium majus | Bai Qu Cai | 白屈菜 |
| TCMH1024 | Tribulus terrestris | Ji Li | 蒺藜 |
| TCMH1033 | Centella asiatica | Ji Xue Cao | 积雪草 |
| TCMH1064 | Coptis chinensis | Jiang Huang Lian | 姜黄连 |
| TCMH108 | Perilla frutescens | Bai Su Zi | 白苏子 |
| TCMH1117 | Rhizoma fagopyri cymosi | Jin Qiao Mai | 金荞麦 |
| TCMH1127 | Lonicera japonica | Jin Yin Hua | 金银花 |
| TCMH1128 | Lonicera japonica | Jin Yin Hua Ti Qu Ye | 金银花提取液 |
| TCMH1146 | Oryza sativa | Jing Mi | 粳米 |
Showing 1 to 10 of 158 entries
Ingredient ID: TCMC1047
Formula: C21H19NO4
Ingredient ID: TCMC1047
| Common Name | Dihydrochelerythrine |
| IUPAC Name | 1,2-dimethoxy-12-methyl-13H-[1,3]benzodioxolo[5,6-c]phenanthridine |
| Canonical SMILES | COc1c(OC)ccc2c1CN(C)c1c2ccc2c1cc1OCOc1c2 |
| Standard InCHI | InChI=1S/C21H19NO4/c1-22-10-16-13(6-7-17(23-2)21(16)24-3)14-5-4-12-8-18-19(26-11-25-18)9-15(12)20(14)22/h4-9H,10-11H2,1-3H3 |
| Standard InCHIKey | ALZAZMCIBRHMFF-UHFFFAOYSA-N |
| External Identifiers | ChEMBL [CHEMBL400359]; PubChem [485077]; |
| Reference of Component-Ingredient Pair | 22421633 |
Occurrence of the ingredient across TCM components
| Component ID | Latin Name | Pinyin Name | Chinese Name |
|---|---|---|---|
| TCMH101 | Chelidonium majus | Bai Qu Cai | 白屈菜 |
| TCMH1064 | Coptis chinensis | Jiang Huang Lian | 姜黄连 |
| TCMH1161 | Coptis chinensis | Jiu Huang Lian | 酒黄连 |
| TCMH1460 | Zanthoxylum nitidum | Mao Liang Mian Zhen | 毛两面针 |
| TCMH1966 | Rehmannia glutinosa | Shu Di Huang | 熟地黄 |
| TCMH2330 | Coptis chinensis | Xiong Huang Lian | 雄黄连 |
| TCMH2531 | Coptis chinensis | Yu Huang Lian | 萸黄连 |
| TCMH2580 | Coptis chinensis | Ze Xi Huang Lian | 择细黄连 |
| TCMH283 | Coptis chinensis | Chuan Huang Lian | 川黄连 |
| TCMH451 | Rehmannia glutinosa | Di Huang | 地黄 |
Showing 1 to 10 of 17 entries
Properties
| Ingredient ID | Formulae | Name | MW | AlogP | MlogP | XlogP | # HBA | # HBD | PSA | # Rotatable Bond | # Ring | # Heacy Atom | Lipinski RO5 Violation |
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| TCMC1047 | C21H19NO4 | Dihydrochelerythrine | 349.13 | -0.2792 | 3.22 | 3.232 | 1 | 0 | 40.16 | 5 | 5 | 26 | 0 |
| TCMC1173 | C10H10O4 | Ferulic Acid | 194.06 | -0.3908 | 2.12 | 1.231 | 2 | 2 | 66.76 | 6 | 1 | 14 | 0 |
| TCMC1180 | C15H10O3 | Flavonol | 238.06 | -0.96 | 2.78 | 5.648 | 2 | 1 | 46.53 | 2 | 3 | 18 | 1 |
| TCMC1237 | C7H6O4 | Gentisic Acid | 154.03 | -1.1604 | 1.79 | 1.09 | 2 | 3 | 77.76 | 4 | 1 | 11 | 0 |
| TCMC1330 | C5H9N3 | Histamine | 111.08 | -1.4467 | 1.68 | -0.453 | 3 | 2 | 54.7 | 3 | 1 | 8 | 0 |
| TCMC1409 | C21H20O12 | Isoquercetin | 464.1 | -4.8921 | 2.45 | -0.354 | 7 | 8 | 206.6 | 12 | 4 | 33 | 1 |
| TCMC1621 | C20H21NO4 | 339.15 | -0.1023 | 3.11 | 2.475 | 1 | 0 | 40.16 | 4 | 5 | 25 | 0 | |
| TCMC1656 | C21H23NO5 | 369.16 | -0.241 | 3.11 | 1.933 | 2 | 0 | 57.23 | 5 | 4 | 27 | 0 | |
| TCMC1659 | C20H19NO5 | 353.13 | -0.4401 | 3 | 1.86 | 2 | 0 | 57.23 | 1 | 5 | 26 | 0 | |
| TCMC1733 | C28H32O16 | Narcissin | 624.17 | -5.7305 | 2.78 | -1.098 | 11 | 9 | 254.52 | 18 | 5 | 44 | 2 |
Showing 1 to 10 of 54 entries
Download Data
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