Description of the Component
Component ID |
TCMH949 |
Latin Name |
Phellodendron amurense |
English Name |
Amur corktree |
Chinese Pinyin Name |
Huang Bai |
中文名 |
黄柏 |
TCM Properties |
Cold,Bitter |
TCM Meridians |
Bladder,Large Intestine,Kidney |
Therapeutic Class English |
Heat clearence |
Therapeutic Class Chinese |
清热 |
Functions |
clear heat and dry dampness, reduce fire and release toxins |
Toxicity |
NA |
Geo-authentic habitats (道地产区) |
Sichuan Province,Chongqing, Heilongjiang Province |
Reference |
Chinese Pharmacopoeia (2015) |
Barcode ID |
ITSAM1586-14 |
Barcode Source |
BOLDSYSTEMS |
TCM Prescriptions with the Component
| Prescription ID | Prescription English Name | Prescription Chinese Name |
|---|---|---|
| TCMF1038 | Die Da Zhen Tong Ointment | 跌打镇痛膏 |
| TCMF1096 | Hu Po Hai Jing Pills | 琥珀还睛丸 |
| TCMF1100 | Tong Feng Ding Capsule | 痛风定胶囊 |
| TCMF1179 | Long Qing Tablet | 癃清片 |
| TCMF1277 | Qinlian Tablets | 芩连片 |
| TCMF1358 | Pill of Mume; Mume Pill | 乌梅丸 |
| TCMF1373 | Aucklandiae and Arecae Pills | 木香槟榔丸 |
| TCMF1375 | Jianbu Pills | 健步丸 |
| TCMF1386 | Coptis Upper Cooling Pills | 黄连上清丸 |
| TCMF14 | Fen Qing Wu Lin Pills | 分清五淋丸 |
Showing 1 to 10 of 348 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 |
| TCMT125 | GBA | Beta-glucocerebrosidase | Hydrolase | P04062 |
| TCMT126 | TERT | Telomerase reverse transcriptase | Transferase | O14746 |
| 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 72 entries
Targeted Pathogenic Microbes by the Ingredient of Component
| Target ID | Target Name |
|---|---|
| TCMT1104 | Sortase |
| TCMT1109 | Reverse transcriptase |
| TCMT1112 | Quinolone resistance protein norA |
| TCMT1154 | Sortase |
| TCMT1218 | Staphylococcus aureus |
| TCMT1226 | Klebsiella pneumoniae |
| TCMT1230 | Human herpesvirus 5 |
| TCMT1232 | Pseudomonas aeruginosa |
| TCMT1236 | Mycobacterium bovis |
| TCMT1246 | Escherichia coli |
Showing 1 to 10 of 28 entries
Ingredient Structrues
Ingredient ID: TCMC934
Formula: C20H19NO4
Ingredient ID: TCMC934
| Common Name | Columbamine |
| IUPAC Name | 3,9,10-trimethoxy-5,6-dihydroisoquinolino[2,1-b]isoquinolin-7-ium-2-ol |
| Canonical SMILES | COc1cc2CC[n+]3c(c2cc1O)cc1c(c3)c(OC)c(cc1)OC |
| Standard InCHI | InChI=1S/C20H19NO4/c1-23-18-5-4-12-8-16-14-10-17(22)19(24-2)9-13(14)6-7-21(16)11-15(12)20(18)25-3/h4-5,8-11H,6-7H2,1-3H3/p+1 |
| Standard InCHIKey | YYFOFDHQVIODOQ-UHFFFAOYSA-O |
| External Identifiers | ChEMBL [CHEMBL400345]; PubChem [72310]; |
| Reference of Component-Ingredient Pair | 22314415 |
Occurrence of the ingredient across TCM components
| Component ID | Latin Name | Pinyin Name | Chinese Name |
|---|---|---|---|
| TCMH1064 | Coptis chinensis | Jiang Huang Lian | 姜黄连 |
| TCMH1102 | Tinospora capillipes | Jin Guo Lan | 金果榄 |
| TCMH1161 | Coptis chinensis | Jiu Huang Lian | 酒黄连 |
| TCMH1416 | Thalictrum foliolosum | Ma Wei Lian | 马尾连 |
| TCMH1764 | Cortex berberidis | San Ke Zhen | 三棵针 |
| TCMH1765 | Cortex berberidis | San Ke Zhen Pi | 三棵针皮 |
| 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 |
| TCMH2531 | Coptis chinensis | Yu Huang Lian | 萸黄连 |
Showing 1 to 10 of 19 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: TCMC865
Formula: C14H8N2O
Ingredient ID: TCMC865
| Common Name | Canthin-6-One |
| IUPAC Name | n.a. |
| Canonical SMILES | O=c1ccc2c3n1c1ccccc1c3ccn2 |
| Standard InCHI | InChI=1S/C14H8N2O/c17-13-6-5-11-14-10(7-8-15-11)9-3-1-2-4-12(9)16(13)14/h1-8H |
| Standard InCHIKey | ZERVJPYNQLONEK-UHFFFAOYSA-N |
| External Identifiers | ChEMBL [CHEMBL156897]; PubChem [97176]; |
| Reference of Component-Ingredient Pair | N/A |
Occurrence of the ingredient across TCM components
| Component ID | Latin Name | Pinyin Name | Chinese Name |
|---|---|---|---|
| TCMH1214 | Picrasma quassioides | Ku Mu | 苦木 |
| TCMH2360 | Brucea javanica | Ya Dan Zi | 鸦胆子 |
| TCMH2374 | Phellodendron amurense | Yan Guan Huang Bai | 盐关黄柏 |
| TCMH314 | Ailanthus altissima | Chun Gen Pi | 椿根皮 |
| TCMH316 | Ailanthi cortex | Chun Pi | 椿皮 |
| 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 |
| TCMH970 | Vitex negundo | Huang Jing Zi | 黄荆子 |
Showing 1 to 10 of 10 entries
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: TCMC801
Formula: C29H50O
Ingredient ID: TCMC801
| Common Name | Beta-Sitosterol |
| IUPAC Name | (3S,8S,9S,10R,13R,14S,17R)-17-[(2R,5R)-5-ethyl-6-methylheptan-2-yl]-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-ol |
| Canonical SMILES | CC[C@@H](C(C)C)CC[C@H]([C@H]1CC[C@@H]2[C@]1(C)CC[C@H]1[C@H]2CC=C2[C@]1(C)CC[C@@H](C2)O)C |
| Standard InCHI | InChI=1S/C29H50O/c1-7-21(19(2)3)9-8-20(4)25-12-13-26-24-11-10-22-18-23(30)14-16-28(22,5)27(24)15-17-29(25,26)6/h10,19-21,23-27,30H,7-9,11-18H2,1-6H3/t20-,21-,23+,24+,25-,26+,27+,28+,29-/m1/s1 |
| Standard InCHIKey | KZJWDPNRJALLNS-VJSFXXLFSA-N |
| External Identifiers | ChEMBL [CHEMBL221542]; PubChem [222284]; |
| Reference of Component-Ingredient Pair | 24130033 |
Occurrence of the ingredient across TCM components
| Component ID | Latin Name | Pinyin Name | Chinese Name |
|---|---|---|---|
| TCMH1008 | Pogostemon cablin | Huo Xiang | 藿香 |
| TCMH1009 | Pogostemon cablin | Huo Xiang Ye | 藿香叶 |
| TCMH1011 | Sargentodoxa cuneata | Huo Xue Teng | 活血藤 |
| TCMH1017 | Oxytropis myriophylla | Ji Dou | 棘豆 |
| TCMH1032 | Impatiens balsamina | Ji Xing Zi | 急性子 |
| TCMH1033 | Centella asiatica | Ji Xue Cao | 积雪草 |
| TCMH1045 | Piper sarmentosum | Jia Ju | 假蒟 |
| TCMH1051 | Piper sarmentosum | Jia 蒟ye | 假蒟叶 |
| TCMH1063 | Curcuma longa | Jiang Huang | 姜黄 |
| TCMH1064 | Coptis chinensis | Jiang Huang Lian | 姜黄连 |
Showing 1 to 10 of 331 entries
Ingredient ID: TCMC785
Formula: C20H18NO4.ClH
Ingredient ID: TCMC785
| Common Name | Berberine Chloride |
| IUPAC Name | n.a. |
| Canonical SMILES | COc1c(OC)ccc2c1c[n+]1CCc3c(c1c2)cc1c(c3)OCO1.[Cl-] |
| Standard InCHI | InChI=1S/C20H18NO4.ClH/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;1H/q+1;/p-1 |
| Standard InCHIKey | VKJGBAJNNALVAV-UHFFFAOYSA-M |
| External Identifiers | ChEMBL [CHEMBL12089]; PubChem [6426334]; |
| Reference of Component-Ingredient Pair | N/A |
Occurrence of the ingredient across TCM components
| Component ID | Latin Name | Pinyin Name | Chinese Name |
|---|---|---|---|
| TCMH1064 | Coptis chinensis | Jiang Huang Lian | 姜黄连 |
| TCMH1161 | Coptis chinensis | Jiu Huang Lian | 酒黄连 |
| TCMH2330 | Coptis chinensis | Xiong Huang Lian | 雄黄连 |
| TCMH2374 | Phellodendron amurense | Yan Guan Huang Bai | 盐关黄柏 |
| 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 |
| 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 |
Showing 1 to 10 of 14 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: TCMC7271
Formula: C32H40O17
Ingredient ID: TCMC7271
| Common Name | Phelloside |
| IUPAC Name | 3,5-dihydroxy-2-(4-hydroxyphenyl)-8-[3-methyl-3-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxybutyl]-7-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxychromen-4-one |
| Canonical SMILES | OC[C@H]1O[C@@H](Oc2cc(O)c3c(c2CCC(O[C@@H]2O[C@H](CO)[C@H]([C@@H]([C@H]2O)O)O)(C)C)oc(c(c3=O)O)c2ccc(cc2)O)[C@@H]([C@H]([C@@H]1O)O)O |
| Standard InCHI | InChI=1S/C32H40O17/c1-32(2,49-31-27(44)24(41)21(38)18(11-34)47-31)8-7-14-16(45-30-26(43)23(40)20(37)17(10-33)46-30)9-15(36)19-22(39)25(42)28(48-29(14)19)12-3-5-13(35)6-4-12/h3-6,9,17-18,20-21,23-24,26-27,30-31,33-38,40-44H,7-8,10-11H2,1-2H3/t17-,18-,20-,21-,23+,24+,26-,27-,30-,31+/m1/s1 |
| Standard InCHIKey | RRFZYXZUUMZQIU-HQXOSTFCSA-N |
| External Identifiers | ChEMBL [N/A]; PubChem [102076744]; |
| Reference of Component-Ingredient Pair | N/A |
Occurrence of the ingredient across TCM components
Ingredient ID: TCMC6368
Formula: C26H32O8
Ingredient ID: TCMC6368
| Common Name | Obacunoic Acid |
| IUPAC Name | (E)-3-[(1R,2R,5R,6R,7R,10S,11S,14S)-11-(furan-3-yl)-5-(2-hydroxypropan-2-yl)-2,6,10-trimethyl-3,13-dioxo-12,15-dioxatetracyclo[8.5.0.01,14.02,7]pentadecan-6-yl]prop-2-enoic acid |
| Canonical SMILES | [O-]C(=O)/C=C/[C@@]1(C)[C@@H](CC(=O)[C@@]2([C@@H]1CC[C@@]1([C@]32O[C@@H]3C(=O)O[C@H]1c1ccoc1)C)C)C(O)(C)C |
| Standard InCHI | InChI=1S/C26H32O8/c1-22(2,31)16-12-17(27)25(5)15(23(16,3)9-7-18(28)29)6-10-24(4)19(14-8-11-32-13-14)33-21(30)20-26(24,25)34-20/h7-9,11,13,15-16,19-20,31H,6,10,12H2,1-5H3,(H,28,29)/p-1/b9-7+/t15-,16+,19+,20-,23-,24+,25+,26-/m1/s1 |
| Standard InCHIKey | GUIYORVNNIUEBH-LJHARGAWSA-M |
| External Identifiers | ChEMBL [N/A]; PubChem [21140842]; |
| Reference of Component-Ingredient Pair | 28901103 |
Occurrence of the ingredient across TCM components
Ingredient ID: TCMC4830
Formula: C26H30O12
Ingredient ID: TCMC4830
| Common Name | Phellatin |
| IUPAC Name | 3,5-dihydroxy-6-(3-hydroxy-3-methylbutyl)-2-(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](Oc2cc3oc(c4ccc(cc4)O)c(c(=O)c3c(c2CCC(O)(C)C)O)O)[C@@H]([C@H]([C@@H]1O)O)O |
| Standard InCHI | InChI=1S/C26H30O12/c1-26(2,35)8-7-13-14(37-25-23(34)21(32)19(30)16(10-27)38-25)9-15-17(18(13)29)20(31)22(33)24(36-15)11-3-5-12(28)6-4-11/h3-6,9,16,19,21,23,25,27-30,32-35H,7-8,10H2,1-2H3/t16-,19-,21+,23-,25-/m1/s1 |
| Standard InCHIKey | BQLZQPGWNVTIHR-MQMBRUBPSA-N |
| External Identifiers | ChEMBL [N/A]; PubChem [5320516]; |
| Reference of Component-Ingredient Pair | N/A |
Occurrence of the ingredient across TCM components
Ingredient ID: TCMC4619
Formula: C26H30O12
Ingredient ID: TCMC4619
| Common Name | Amurensin |
| IUPAC Name | 3,5-dihydroxy-8-(3-hydroxy-3-methylbutyl)-2-(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](Oc2cc(O)c3c(c2CCC(O)(C)C)oc(c(c3=O)O)c2ccc(cc2)O)[C@@H]([C@H]([C@@H]1O)O)O |
| Standard InCHI | InChI=1S/C26H30O12/c1-26(2,35)8-7-13-15(36-25-22(34)20(32)18(30)16(10-27)37-25)9-14(29)17-19(31)21(33)23(38-24(13)17)11-3-5-12(28)6-4-11/h3-6,9,16,18,20,22,25,27-30,32-35H,7-8,10H2,1-2H3/t16-,18-,20+,22-,25-/m1/s1 |
| Standard InCHIKey | UNHHWEHQUUGKEE-MLLLWRCASA-N |
| External Identifiers | ChEMBL [CHEMBL454069]; PubChem [5318156]; |
| Reference of Component-Ingredient Pair | 27857716 |
Occurrence of the ingredient across TCM components
Ingredient ID: TCMC4606
Formula: C16H29NO
Ingredient ID: TCMC4606
| Common Name | Herculin |
| IUPAC Name | (2E,8E)-N-(2-methylpropyl)dodeca-2,8-dienamide |
| Canonical SMILES | CCC/C=C/CCCC/C=C/C(=O)NCC(C)C |
| Standard InCHI | InChI=1S/C16H29NO/c1-4-5-6-7-8-9-10-11-12-13-16(18)17-14-15(2)3/h6-7,12-13,15H,4-5,8-11,14H2,1-3H3,(H,17,18)/b7-6+,13-12+ |
| Standard InCHIKey | JNPRQUIWDVDHIT-GYIPPJPDSA-N |
| External Identifiers | ChEMBL [N/A]; PubChem [5318023]; |
| Reference of Component-Ingredient Pair | 29572894 |
Occurrence of the ingredient across TCM components
Ingredient ID: TCMC4408
Formula: C28H48O
Ingredient ID: TCMC4408
| Common Name | Campesterol,M-Cresol |
| IUPAC Name | (3S,8S,9S,10R,13R,14S,17R)-17-[(2R,5S)-5,6-dimethylheptan-2-yl]-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-ol |
| Canonical SMILES | O[C@H]1CC[C@]2(C(=CC[C@@H]3[C@@H]2CC[C@]2([C@H]3CC[C@@H]2[C@@H](CC[C@@H](C(C)C)C)C)C)C1)C |
| Standard InCHI | InChI=1S/C28H48O/c1-18(2)19(3)7-8-20(4)24-11-12-25-23-10-9-21-17-22(29)13-15-27(21,5)26(23)14-16-28(24,25)6/h9,18-20,22-26,29H,7-8,10-17H2,1-6H3/t19-,20+,22-,23-,24+,25-,26-,27-,28+/m0/s1 |
| Standard InCHIKey | SGNBVLSWZMBQTH-ZRUUVFCLSA-N |
| External Identifiers | ChEMBL [CHEMBL485421]; PubChem [5283637]; |
| Reference of Component-Ingredient Pair | 28357621 |
Occurrence of the ingredient across TCM components
| Component ID | Latin Name | Pinyin Name | Chinese Name |
|---|---|---|---|
| TCMH1186 | Lycium chinense | Gou Qi Zi | 枸杞子 |
| TCMH1343 | Aloe vera | Lu Hui | 芦荟 |
| TCMH1721 | Panax ginseng | Ren Shen | 人参 |
| TCMH1797 | Morus alba | Sang Ye | 桑叶 |
| TCMH1845 | Dioscorea batatas | Shan Yao | 山药 |
| TCMH700 | Drynaria fortunei | Gu Sui Bu | 骨碎补 |
| TCMH834 | Semen glycine max | Hei Dou | 黑豆 |
| TCMH949 | Phellodendron amurense | Huang Bai | 黄柏 |
| TCMH986 | Scutellaria baicalensis | Huang Qin | 黄芩 |
Showing 1 to 9 of 9 entries
Ingredient ID: TCMC4219
Formula: C20H24NO4
Ingredient ID: TCMC4219
| Common Name | Phellodendrine |
| IUPAC Name | (7S,13aS)-3,10-dimethoxy-7-methyl-6,8,13,13a-tetrahydro-5H-isoquinolino[2,1-b]isoquinolin-7-ium-2,11-diol |
| Canonical SMILES | COc1cc2C[N@+]3(C)CCc4c([C@@H]3Cc2cc1O)cc(c(c4)OC)O |
| Standard InCHI | InChI=1S/C20H23NO4/c1-21-5-4-12-8-19(24-2)18(23)10-15(12)16(21)6-13-7-17(22)20(25-3)9-14(13)11-21/h7-10,16H,4-6,11H2,1-3H3,(H-,22,23)/p+1/t16-,21-/m0/s1 |
| Standard InCHIKey | RBBVPNQTBKHOEQ-KKSFZXQISA-O |
| External Identifiers | ChEMBL [N/A]; PubChem [3081405]; |
| Reference of Component-Ingredient Pair | 24709313 |
Occurrence of the ingredient across TCM components
Ingredient ID: TCMC3966
Formula: C29H50O
Ingredient ID: TCMC3966
| Common Name | Sitosterol,Β-Sitosterol |
| IUPAC Name | (3S,8S,9S,10R,13R,14S,17R)-17-[(2R,5S)-5-ethyl-6-methylheptan-2-yl]-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-ol |
| Canonical SMILES | CC[C@H](C(C)C)CC[C@H]([C@H]1CC[C@@H]2[C@]1(C)CC[C@H]1[C@H]2CC=C2[C@]1(C)CC[C@@H](C2)O)C |
| Standard InCHI | InChI=1S/C29H50O/c1-7-21(19(2)3)9-8-20(4)25-12-13-26-24-11-10-22-18-23(30)14-16-28(22,5)27(24)15-17-29(25,26)6/h10,19-21,23-27,30H,7-9,11-18H2,1-6H3/t20-,21+,23+,24+,25-,26+,27+,28+,29-/m1/s1 |
| Standard InCHIKey | KZJWDPNRJALLNS-FBZNIEFRSA-N |
| External Identifiers | ChEMBL [CHEMBL221542]; PubChem [457801]; |
| Reference of Component-Ingredient Pair | 23115546 |
Occurrence of the ingredient across TCM components
| Component ID | Latin Name | Pinyin Name | Chinese Name |
|---|---|---|---|
| TCMH104 | Paeonia lactiflora | Bai Shao | 白芍 |
| TCMH1127 | Lonicera japonica | Jin Yin Hua | 金银花 |
| TCMH1186 | Lycium chinense | Gou Qi Zi | 枸杞子 |
| TCMH12 | Artemisia argyi | Ai Ye | 艾叶 |
| TCMH121 | Biota orientalis | Bai Zi Ren | 柏子仁 |
| TCMH127 | Isatis indigotica | Ban Lan Gen | 板蓝根 |
| TCMH130 | Pinellia ternata | Ban Xia | 半夏 |
| TCMH1359 | Pyrola calliantha | Lu Xian Cao | 鹿衔草 |
| TCMH1368 | Apocyni veneti folium | Luo Bu Ma Ye | 罗布麻叶 |
| TCMH1376 | Trachelospermum jasminoides | Luo Shi Teng | 络石藤 |
Showing 1 to 10 of 71 entries
Ingredient ID: TCMC3848
Formula: C29H50O
Ingredient ID: TCMC3848
| Common Name | 7-Dehydrostigmasterol |
| IUPAC Name | (3S,5S,9R,10S,13R,14R,17R)-17-[(2R,5R)-5-ethyl-6-methylheptan-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)CC[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/C29H50O/c1-7-21(19(2)3)9-8-20(4)25-12-13-26-24-11-10-22-18-23(30)14-16-28(22,5)27(24)15-17-29(25,26)6/h11,19-23,25-27,30H,7-10,12-18H2,1-6H3/t20-,21-,22+,23+,25-,26+,27+,28+,29-/m1/s1 |
| Standard InCHIKey | YSKVBPGQYRAUQO-UZSYLJJSSA-N |
| External Identifiers | ChEMBL [CHEMBL238597]; PubChem [441837]; |
| Reference of Component-Ingredient Pair | 27519246 |
Occurrence of the ingredient across TCM components
Ingredient ID: TCMC3718
Formula: C26H30O11
Ingredient ID: TCMC3718
| Common Name | Phellamurin |
| IUPAC Name | (2R,3R)-3,5-dihydroxy-2-(4-hydroxyphenyl)-8-(3-methylbut-2-enyl)-7-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-2,3-dihydrochromen-4-one |
| Canonical SMILES | OC[C@H]1O[C@@H](Oc2cc(O)c3c(c2CC=C(C)C)O[C@@H]([C@H](C3=O)O)c2ccc(cc2)O)[C@@H]([C@H]([C@@H]1O)O)O |
| Standard InCHI | InChI=1S/C26H30O11/c1-11(2)3-8-14-16(35-26-23(34)21(32)19(30)17(10-27)36-26)9-15(29)18-20(31)22(33)24(37-25(14)18)12-4-6-13(28)7-5-12/h3-7,9,17,19,21-24,26-30,32-34H,8,10H2,1-2H3/t17-,19-,21+,22+,23-,24-,26-/m1/s1 |
| Standard InCHIKey | GRDZTDZJQRPNCN-YIANMRPHSA-N |
| External Identifiers | ChEMBL [CHEMBL516116]; PubChem [193876]; |
| Reference of Component-Ingredient Pair | 21573758 |
Occurrence of the ingredient across TCM components
Ingredient ID: TCMC3598
Formula: C21H26NO4
Ingredient ID: TCMC3598
| Common Name | Menisperine |
| IUPAC Name | (6aS)-1,2,10-trimethoxy-6,6-dimethyl-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinolin-6-ium-11-ol |
| Canonical SMILES | COc1ccc2c(c1O)c1c(OC)c(OC)cc3c1[C@H](C2)[N+](C)(C)CC3 |
| Standard InCHI | InChI=1S/C21H25NO4/c1-22(2)9-8-13-11-16(25-4)21(26-5)19-17(13)14(22)10-12-6-7-15(24-3)20(23)18(12)19/h6-7,11,14H,8-10H2,1-5H3/p+1/t14-/m0/s1 |
| Standard InCHIKey | XQINTCORIZHGFD-AWEZNQCLSA-O |
| External Identifiers | ChEMBL [CHEMBL1186240]; PubChem [161487]; |
| Reference of Component-Ingredient Pair | 28750557 |
Occurrence of the ingredient across TCM components
Ingredient ID: TCMC315
Formula: C21H25NO4
Ingredient ID: TCMC315
| Common Name | 2,3,9,10-Tetramethoxy-6,8,13,13A-Tetrahydro-5H-Isoquinolino[2,1-B]Isoquinoline |
| IUPAC Name | 2,3,9,10-tetramethoxy-6,8,13,13a-tetrahydro-5H-isoquinolino[2,1-b]isoquinoline |
| Canonical SMILES | COc1cc2CCN3C(c2cc1OC)Cc1c(C3)c(OC)c(cc1)OC |
| Standard InCHI | InChI=1S/C21H25NO4/c1-23-18-6-5-13-9-17-15-11-20(25-3)19(24-2)10-14(15)7-8-22(17)12-16(13)21(18)26-4/h5-6,10-11,17H,7-9,12H2,1-4H3 |
| Standard InCHIKey | AEQDJSLRWYMAQI-UHFFFAOYSA-N |
| External Identifiers | ChEMBL [CHEMBL187892]; PubChem [5417]; |
| Reference of Component-Ingredient Pair | N/A |
Occurrence of the ingredient across TCM components
| Component ID | Latin Name | Pinyin Name | Chinese Name |
|---|---|---|---|
| TCMH1064 | Coptis chinensis | Jiang Huang Lian | 姜黄连 |
| TCMH1092 | Stephania sinica | Jin Bu Huan | 金不换 |
| TCMH1161 | Coptis chinensis | Jiu Huang Lian | 酒黄连 |
| TCMH1475 | Glycyrrhiza uralensis | Mi Gan Cao | 蜜甘草 |
| TCMH1680 | Sinomenium acutum | Qing Feng Teng | 青风藤 |
| TCMH1899 | Glycyrrhiza uralensis | Sheng Gan Cao | 生甘草 |
| TCMH2135 | Glycyrrhiza uralensis | Tu Gan Cao | 土甘草 |
| TCMH2248 | Corydalis decumbens | Xia Tian Wu | 夏天无 |
| TCMH2330 | Coptis chinensis | Xiong Huang Lian | 雄黄连 |
| TCMH2339 | Rhizoma corydalis | Xuan Hu | 玄胡 |
Showing 1 to 10 of 33 entries
Ingredient ID: TCMC3142
Formula: C11H18NO
Ingredient ID: TCMC3142
| Common Name | N-Candicine |
| IUPAC Name | 2-(4-hydroxyphenyl)ethyl-trimethylazanium |
| Canonical SMILES | Oc1ccc(cc1)CC[N+](C)(C)C |
| Standard InCHI | InChI=1S/C11H17NO/c1-12(2,3)9-8-10-4-6-11(13)7-5-10/h4-7H,8-9H2,1-3H3/p+1 |
| Standard InCHIKey | PTOJXIKSKSASRB-UHFFFAOYSA-O |
| External Identifiers | ChEMBL [CHEMBL1186075]; PubChem [23135]; |
| Reference of Component-Ingredient Pair | 13923874 |
Occurrence of the ingredient across TCM components
Ingredient ID: TCMC313
Formula: C20H23NO4
Ingredient ID: TCMC313
| Common Name | 2,3,10-Trimethoxy-6,8,13,13A-Tetrahydro-5H-Isoquinolino[2,1-B]Isoquinolin-9-Ol |
| IUPAC Name | 2,3,10-trimethoxy-6,8,13,13a-tetrahydro-5H-isoquinolino[2,1-b]isoquinolin-9-ol |
| Canonical SMILES | COc1cc2CCN3C(c2cc1OC)Cc1c(C3)c(O)c(cc1)OC |
| Standard InCHI | InChI=1S/C20H23NO4/c1-23-17-5-4-12-8-16-14-10-19(25-3)18(24-2)9-13(14)6-7-21(16)11-15(12)20(17)22/h4-5,9-10,16,22H,6-8,11H2,1-3H3 |
| Standard InCHIKey | DKBYSDUFSXFXMP-UHFFFAOYSA-N |
| External Identifiers | ChEMBL [CHEMBL2314745]; PubChem [453215]; |
| Reference of Component-Ingredient Pair | N/A |
Occurrence of the ingredient across TCM components
| Component ID | Latin Name | Pinyin Name | Chinese Name |
|---|---|---|---|
| TCMH2374 | Phellodendron amurense | Yan Guan Huang Bai | 盐关黄柏 |
| 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 5 of 5 entries
Ingredient ID: TCMC2811
Formula: C19H15NO4
Ingredient ID: TCMC2811
| Common Name | Thalidendine |
| IUPAC Name | n.a. |
| Canonical SMILES | COc1c(=[O+])ccc2c1cn1CCc3c(c1c2)cc1c(c3)OCO1 |
| Standard InCHI | InChI=1S/C19H15NO4/c1-22-19-14-9-20-5-4-12-7-17-18(24-10-23-17)8-13(12)15(20)6-11(14)2-3-16(19)21/h2-3,6-9H,4-5,10H2,1H3/p+1 |
| Standard InCHIKey | OEGWOBMNQDATKP-UHFFFAOYSA-O |
| External Identifiers | ChEMBL [CHEMBL1187148]; PubChem [3084288]; |
| Reference of Component-Ingredient Pair | N/A |
Occurrence of the ingredient across TCM components
| Component ID | Latin Name | Pinyin Name | Chinese Name |
|---|---|---|---|
| TCMH1064 | Coptis chinensis | Jiang Huang Lian | 姜黄连 |
| TCMH1161 | Coptis chinensis | Jiu Huang Lian | 酒黄连 |
| TCMH1416 | Thalictrum foliolosum | Ma Wei Lian | 马尾连 |
| TCMH2330 | Coptis chinensis | Xiong Huang Lian | 雄黄连 |
| TCMH2374 | Phellodendron amurense | Yan Guan Huang Bai | 盐关黄柏 |
| 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 |
| TCMH717 | Phellodendron amurense | Guan Huang Bai | 关黄柏 |
| TCMH949 | Phellodendron amurense | Huang Bai | 黄柏 |
Showing 1 to 10 of 15 entries
Ingredient ID: TCMC2442
Formula: C13H11NO3
Ingredient ID: TCMC2442
| Common Name | Pteleine |
| IUPAC Name | 4,6-dimethoxyfuro[2,3-b]quinoline |
| Canonical SMILES | COc1c2cc(OC)ccc2nc2c1cco2 |
| Standard InCHI | InChI=1S/C13H11NO3/c1-15-8-3-4-11-10(7-8)12(16-2)9-5-6-17-13(9)14-11/h3-7H,1-2H3 |
| Standard InCHIKey | ALLQMEDAYDKMIO-UHFFFAOYSA-N |
| External Identifiers | ChEMBL [CHEMBL486165]; PubChem [159650]; |
| Reference of Component-Ingredient Pair | 21140651 |
Occurrence of the ingredient across TCM components
| Component ID | Latin Name | Pinyin Name | Chinese Name |
|---|---|---|---|
| TCMH1782 | Ruta graveolens | San Ya Ku | 三桠苦 |
| TCMH2374 | Phellodendron amurense | Yan Guan Huang Bai | 盐关黄柏 |
| TCMH2562 | Ruta graveolens | Yun Xiang Jin Gao | 芸香浸膏 |
| 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: TCMC2402
Formula: C15H14O2
Ingredient ID: TCMC2402
| Common Name | 4-[(Z)-2-(3-Methoxyphenyl)Ethenyl]Phenol |
| IUPAC Name | 4-[(Z)-2-(3-methoxyphenyl)ethenyl]phenol |
| Canonical SMILES | COc1cccc(c1)/C=Cc1ccc(cc1)O |
| Standard InCHI | InChI=1S/C15H14O2/c1-17-15-4-2-3-13(11-15)6-5-12-7-9-14(16)10-8-12/h2-11,16H,1H3/b6-5- |
| Standard InCHIKey | ZVJLZUWCAUTTBS-WAYWQWQTSA-N |
| External Identifiers | ChEMBL [CHEMBL476677]; PubChem [5469252]; |
| 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 |
| TCMH120 | Atractylodes macrocephala | Bai Zhu | 白术 |
| TCMH1296 | Ganoderma lucidum | Ling Zhi Jin Gao | 灵芝浸膏 |
| TCMH1299 | Ganoderma lucidum | Ling Zhi(1) | 灵芝 |
| TCMH1343 | Aloe vera | Lu Hui | 芦荟 |
| TCMH1367 | Apocynum venetum | Luo Bu Ma | 罗布麻 |
| TCMH1903 | Zingiber officinale | Sheng Jiang | 生姜 |
| TCMH210 | Terminalia chebula | Cang Qing Guo | 藏青果 |
| TCMH211 | Atractylodes lancea | Cang Zhu | 苍术 |
| TCMH2374 | Phellodendron amurense | Yan Guan Huang Bai | 盐关黄柏 |
Showing 1 to 10 of 18 entries
Ingredient ID: TCMC2383
Formula: C20H23NO4
Ingredient ID: TCMC2383
| Common Name | Magnoflorine |
| IUPAC Name | (6aS)-2,10-dimethoxy-6,6-dimethyl-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinoline-6-ium-1,11-diol |
| Canonical SMILES | COc1ccc2c(c1O)c1c(O)c(OC)cc3c1[C@H](C2)[N+](C)(C)CC3 |
| Standard InCHI | InChI=1S/C20H23NO4/c1-21(2)8-7-12-10-15(25-4)20(23)18-16(12)13(21)9-11-5-6-14(24-3)19(22)17(11)18/h5-6,10,13H,7-9H2,1-4H3,(H-,22,23)/p+1/t13-/m0/s1 |
| Standard InCHIKey | YLRXAIKMLINXQY-ZDUSSCGKSA-O |
| External Identifiers | ChEMBL [CHEMBL235428]; PubChem [73337]; |
| Reference of Component-Ingredient Pair | 24709313 |
Occurrence of the ingredient across TCM components
| Component ID | Latin Name | Pinyin Name | Chinese Name |
|---|---|---|---|
| TCMH1064 | Coptis chinensis | Jiang Huang Lian | 姜黄连 |
| TCMH1102 | Tinospora capillipes | Jin Guo Lan | 金果榄 |
| TCMH1161 | Coptis chinensis | Jiu Huang Lian | 酒黄连 |
| TCMH1397 | Aristolochia debilis | Ma Dou Ling | 马兜铃 |
| TCMH140 | Menispermum dauricum | Bei Dou Gen | 北豆根 |
| TCMH1416 | Thalictrum foliolosum | Ma Wei Lian | 马尾连 |
| TCMH1516 | Cocculus trilobus | Mu Fang Ji | 木防己 |
| TCMH1680 | Sinomenium acutum | Qing Feng Teng | 青风藤 |
| TCMH1693 | Aristolochia debilis | Qing Mu Xiang | 青木香 |
| TCMH1764 | Cortex berberidis | San Ke Zhen | 三棵针 |
Showing 1 to 10 of 33 entries
Ingredient ID: TCMC2378
Formula: C19H15NO4.ClH
Ingredient ID: TCMC2378
| Common Name | Thalifendine |
| IUPAC Name | n.a. |
| Canonical SMILES | COc1c(=O)ccc2c1cn1CCc3c(c1c2)cc1c(c3)OCO1.Cl |
| Standard InCHI | InChI=1S/C19H15NO4.ClH/c1-22-19-14-9-20-5-4-12-7-17-18(24-10-23-17)8-13(12)15(20)6-11(14)2-3-16(19)21;/h2-3,6-9H,4-5,10H2,1H3;1H |
| Standard InCHIKey | QKDAYMOWDPMRHC-UHFFFAOYSA-N |
| External Identifiers | ChEMBL [CHEMBL491544]; PubChem [5321913]; |
| Reference of Component-Ingredient Pair | N/A |
Occurrence of the ingredient across TCM components
| Component ID | Latin Name | Pinyin Name | Chinese Name |
|---|---|---|---|
| TCMH1064 | Coptis chinensis | Jiang Huang Lian | 姜黄连 |
| TCMH1161 | Coptis chinensis | Jiu Huang Lian | 酒黄连 |
| TCMH1416 | Thalictrum foliolosum | Ma Wei Lian | 马尾连 |
| TCMH2330 | Coptis chinensis | Xiong Huang Lian | 雄黄连 |
| TCMH2374 | Phellodendron amurense | Yan Guan Huang Bai | 盐关黄柏 |
| 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 |
| TCMH717 | Phellodendron amurense | Guan Huang Bai | 关黄柏 |
| TCMH949 | Phellodendron amurense | Huang Bai | 黄柏 |
Showing 1 to 10 of 15 entries
Ingredient ID: TCMC2198
Formula: C37H40N2O6
Ingredient ID: TCMC2198
| Common Name | Tubocurarine |
| IUPAC Name | n.a. |
| Canonical SMILES | COc1cc2CCN([C@@H]3c2cc1Oc1cc(ccc1O)C[C@@H]1c2c(CC[N+]1(C)C)cc(c(c2Oc1ccc(C3)cc1)O)OC)C |
| Standard InCHI | InChI=1S/C37H40N2O6/c1-38-14-12-24-19-32(42-4)33-21-27(24)28(38)16-22-6-9-26(10-7-22)44-37-35-25(20-34(43-5)36(37)41)13-15-39(2,3)29(35)17-23-8-11-30(40)31(18-23)45-33/h6-11,18-21,28-29H,12-17H2,1-5H3,(H-,40,41)/p+1/t28-,29+/m0/s1 |
| Standard InCHIKey | JFJZZMVDLULRGK-URLMMPGGSA-O |
| External Identifiers | ChEMBL [CHEMBL339427]; PubChem [6000]; |
| Reference of Component-Ingredient Pair | N/A |
Occurrence of the ingredient across TCM components
| Component ID | Latin Name | Pinyin Name | Chinese Name |
|---|---|---|---|
| TCMH2374 | Phellodendron amurense | Yan Guan Huang Bai | 盐关黄柏 |
| 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 5 of 5 entries
Ingredient ID: TCMC2191
Formula: C14H12O3
Ingredient ID: TCMC2191
| Common Name | Trioxsalen |
| IUPAC Name | 2,5,9-trimethylfuro[3,2-g]chromen-7-one |
| Canonical SMILES | Cc1cc2c(o1)c(C)c1c(c2)c(C)cc(=O)o1 |
| Standard InCHI | InChI=1S/C14H12O3/c1-7-4-12(15)17-14-9(3)13-10(6-11(7)14)5-8(2)16-13/h4-6H,1-3H3 |
| Standard InCHIKey | FMHHVULEAZTJMA-UHFFFAOYSA-N |
| External Identifiers | ChEMBL [CHEMBL1475]; PubChem [5585]; |
| Reference of Component-Ingredient Pair | N/A |
Occurrence of the ingredient across TCM components
| Component ID | Latin Name | Pinyin Name | Chinese Name |
|---|---|---|---|
| TCMH2374 | Phellodendron amurense | Yan Guan Huang Bai | 盐关黄柏 |
| 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 5 of 5 entries
Ingredient ID: TCMC2151
Formula: C20H23NO4
Ingredient ID: TCMC2151
| Common Name | Tetrahydropalmatrubine |
| IUPAC Name | (13aS)-2,3,10-trimethoxy-6,8,13,13a-tetrahydro-5H-isoquinolino[2,1-b]isoquinolin-9-ol |
| Canonical SMILES | COc1cc2CCN3[C@H](c2cc1OC)Cc1c(C3)c(O)c(cc1)OC |
| Standard InCHI | InChI=1S/C20H23NO4/c1-23-17-5-4-12-8-16-14-10-19(25-3)18(24-2)9-13(14)6-7-21(16)11-15(12)20(17)22/h4-5,9-10,16,22H,6-8,11H2,1-3H3/t16-/m0/s1 |
| Standard InCHIKey | DKBYSDUFSXFXMP-INIZCTEOSA-N |
| External Identifiers | ChEMBL [CHEMBL522746]; PubChem [11282465]; |
| Reference of Component-Ingredient Pair | N/A |
Occurrence of the ingredient across TCM components
| Component ID | Latin Name | Pinyin Name | Chinese Name |
|---|---|---|---|
| TCMH2374 | Phellodendron amurense | Yan Guan Huang Bai | 盐关黄柏 |
| 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 5 of 5 entries
Ingredient ID: TCMC2150
Formula: C21H25NO4
Ingredient ID: TCMC2150
| Common Name | Tetrahydropalmatine |
| IUPAC Name | (13aS)-2,3,9,10-tetramethoxy-6,8,13,13a-tetrahydro-5H-isoquinolino[2,1-b]isoquinoline |
| Canonical SMILES | COc1cc2CCN3[C@H](c2cc1OC)Cc1c(C3)c(OC)c(cc1)OC |
| Standard InCHI | InChI=1S/C21H25NO4/c1-23-18-6-5-13-9-17-15-11-20(25-3)19(24-2)10-14(15)7-8-22(17)12-16(13)21(18)26-4/h5-6,10-11,17H,7-9,12H2,1-4H3/t17-/m0/s1 |
| Standard InCHIKey | AEQDJSLRWYMAQI-KRWDZBQOSA-N |
| External Identifiers | ChEMBL [CHEMBL487182]; PubChem [72301]; |
| Reference of Component-Ingredient Pair | 23019888 |
Occurrence of the ingredient across TCM components
| Component ID | Latin Name | Pinyin Name | Chinese Name |
|---|---|---|---|
| TCMH1064 | Coptis chinensis | Jiang Huang Lian | 姜黄连 |
| TCMH1161 | Coptis chinensis | Jiu Huang Lian | 酒黄连 |
| TCMH2248 | Corydalis decumbens | Xia Tian Wu | 夏天无 |
| 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 |
| 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 |
| TCMH717 | Phellodendron amurense | Guan Huang Bai | 关黄柏 |
Showing 1 to 10 of 16 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: 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: TCMC2030
Formula: C18H13N3O
Ingredient ID: TCMC2030
| Common Name | Rutaecarpine |
| IUPAC Name | n.a. |
| Canonical SMILES | O=c1c2ccccc2nc2n1CCc1c2[nH]c2c1cccc2 |
| Standard InCHI | InChI=1S/C18H13N3O/c22-18-13-6-2-4-8-15(13)20-17-16-12(9-10-21(17)18)11-5-1-3-7-14(11)19-16/h1-8,19H,9-10H2 |
| Standard InCHIKey | ACVGWSKVRYFWRP-UHFFFAOYSA-N |
| External Identifiers | ChEMBL [CHEMBL85139]; PubChem [65752]; |
| Reference of Component-Ingredient Pair | 23337743 |
Occurrence of the ingredient across TCM components
| Component ID | Latin Name | Pinyin Name | Chinese Name |
|---|---|---|---|
| TCMH2216 | Evodia rutaecarpa | Wu Zhu Yu | 吴茱萸 |
| TCMH2374 | Phellodendron amurense | Yan Guan Huang Bai | 盐关黄柏 |
| 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 6 of 6 entries
Ingredient ID: TCMC1871
Formula: C6H6O
Ingredient ID: TCMC1871
| Common Name | Phenol |
| IUPAC Name | phenol |
| Canonical SMILES | Oc1ccccc1 |
| Standard InCHI | InChI=1S/C6H6O/c7-6-4-2-1-3-5-6/h1-5,7H |
| Standard InCHIKey | ISWSIDIOOBJBQZ-UHFFFAOYSA-N |
| External Identifiers | ChEMBL [CHEMBL14060]; PubChem [996]; |
| Reference of Component-Ingredient Pair | 29968805 |
Occurrence of the ingredient across TCM components
| Component ID | Latin Name | Pinyin Name | Chinese Name |
|---|---|---|---|
| TCMH1063 | Curcuma longa | Jiang Huang | 姜黄 |
| TCMH1154 | Ilex rotunda | Jiu Bi Ying | 救必应 |
| TCMH120 | Atractylodes macrocephala | Bai Zhu | 白术 |
| TCMH1296 | Ganoderma lucidum | Ling Zhi Jin Gao | 灵芝浸膏 |
| TCMH1299 | Ganoderma lucidum | Ling Zhi(1) | 灵芝 |
| TCMH1343 | Aloe vera | Lu Hui | 芦荟 |
| TCMH1367 | Apocynum venetum | Luo Bu Ma | 罗布麻 |
| TCMH1431 | Vitex trifolia | Man Jing Ye | 蔓荆叶 |
| TCMH1432 | Vitex trifolia | Man Jing Zi | 蔓荆子 |
| TCMH1518 | Chaenomeles sinensis | Mu Gua | 木瓜 |
Showing 1 to 10 of 37 entries
Ingredient ID: TCMC1869
Formula: C8H11N
Ingredient ID: TCMC1869
| Common Name | Phenethylamine |
| IUPAC Name | 2-phenylethanamine |
| Canonical SMILES | NCCc1ccccc1 |
| Standard InCHI | InChI=1S/C8H11N/c9-7-6-8-4-2-1-3-5-8/h1-5H,6-7,9H2 |
| Standard InCHIKey | BHHGXPLMPWCGHP-UHFFFAOYSA-N |
| External Identifiers | ChEMBL [CHEMBL610]; PubChem [1001]; |
| Reference of Component-Ingredient Pair | 22608104 |
Occurrence of the ingredient across TCM components
| Component ID | Latin Name | Pinyin Name | Chinese Name |
|---|---|---|---|
| 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 |
| TCMH1734 | Homo sapiens | Ren Zhong Bai | 人中白 |
| TCMH2374 | Phellodendron amurense | Yan Guan Huang Bai | 盐关黄柏 |
| TCMH2710 | Homo sapiens | Zi He Che | 紫河车 |
| 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: TCMC1866
Formula: C17H16O5
Ingredient ID: TCMC1866
| Common Name | Phellopterin |
| IUPAC Name | 4-methoxy-9-(3-methylbut-2-enoxy)furo[3,2-g]chromen-7-one |
| Canonical SMILES | COc1c2ccoc2c(c2c1ccc(=O)o2)OCC=C(C)C |
| Standard InCHI | InChI=1S/C17H16O5/c1-10(2)6-8-21-17-15-12(7-9-20-15)14(19-3)11-4-5-13(18)22-16(11)17/h4-7,9H,8H2,1-3H3 |
| Standard InCHIKey | BMLZFLQMBMYVHG-UHFFFAOYSA-N |
| External Identifiers | ChEMBL [CHEMBL452751]; PubChem [98608]; |
| Reference of Component-Ingredient Pair | 29766316 |
Occurrence of the ingredient across TCM components
| Component ID | Latin Name | Pinyin Name | Chinese Name |
|---|---|---|---|
| TCMH118 | Angelica dahurica | Bai Zhi | 白芷 |
| TCMH119 | Angelica dahurica | Bai Zhi Jin Gao Fen | 白芷浸膏粉 |
| TCMH1277 | Alpinia officinarum | Liang Jiang | 良姜 |
| TCMH1460 | Zanthoxylum nitidum | Mao Liang Mian Zhen | 毛两面针 |
| 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 |
| TCMH1665 | Notopterygium incisum | Qiang Huo | 羌活 |
| TCMH2174 | Angelica dahurica | Wu Bai Zhi | 吴白芷 |
| TCMH2374 | Phellodendron amurense | Yan Guan Huang Bai | 盐关黄柏 |
Showing 1 to 10 of 18 entries
Ingredient ID: TCMC1831
Formula: C21H22NO4
Ingredient ID: TCMC1831
| Common Name | Palmitine |
| IUPAC Name | 2,3,9,10-tetramethoxy-5,6-dihydroisoquinolino[2,1-b]isoquinolin-7-ium |
| Canonical SMILES | COc1cc2CC[n+]3c(c2cc1OC)cc1c(c3)c(OC)c(cc1)OC |
| Standard InCHI | InChI=1S/C21H22NO4/c1-23-18-6-5-13-9-17-15-11-20(25-3)19(24-2)10-14(15)7-8-22(17)12-16(13)21(18)26-4/h5-6,9-12H,7-8H2,1-4H3/q+1 |
| Standard InCHIKey | QUCQEUCGKKTEBI-UHFFFAOYSA-N |
| External Identifiers | ChEMBL [CHEMBL206106]; PubChem [19009]; |
| Reference of Component-Ingredient Pair | 22651959 |
Occurrence of the ingredient across TCM components
| Component ID | Latin Name | Pinyin Name | Chinese Name |
|---|---|---|---|
| TCMH1064 | Coptis chinensis | Jiang Huang Lian | 姜黄连 |
| TCMH1102 | Tinospora capillipes | Jin Guo Lan | 金果榄 |
| TCMH1161 | Coptis chinensis | Jiu Huang Lian | 酒黄连 |
| TCMH1416 | Thalictrum foliolosum | Ma Wei Lian | 马尾连 |
| TCMH1764 | Cortex berberidis | San Ke Zhen | 三棵针 |
| TCMH1765 | Cortex berberidis | San Ke Zhen Pi | 三棵针皮 |
| TCMH1950 | Herba selaginellae doederleinii | Shi Shang Bai | 石上柏 |
| TCMH203 | Acorus calamus | Cang Chang Pu | 藏菖蒲 |
| TCMH2126 | Gaultheria yunnanensis | Tou Gu Xiang | 透骨香 |
| TCMH2248 | Corydalis decumbens | Xia Tian Wu | 夏天无 |
Showing 1 to 10 of 24 entries
Ingredient ID: TCMC1828
Formula: C21H22NO4.ClH
Ingredient ID: TCMC1828
| Common Name | Palmatine Chloride |
| IUPAC Name | 2,3,9,10-tetramethoxy-5,6-dihydroisoquinolino[2,1-b]isoquinolin-7-ium;chloride |
| Canonical SMILES | COc1cc2CC[n+]3c(c2cc1OC)cc1c(c3)c(OC)c(cc1)OC.[Cl-] |
| Standard InCHI | InChI=1S/C21H22NO4.ClH/c1-23-18-6-5-13-9-17-15-11-20(25-3)19(24-2)10-14(15)7-8-22(17)12-16(13)21(18)26-4;/h5-6,9-12H,7-8H2,1-4H3;1H/q+1;/p-1 |
| Standard InCHIKey | RLQYRXCUPVKSAW-UHFFFAOYSA-M |
| External Identifiers | ChEMBL [CHEMBL274189]; PubChem [73442]; |
| Reference of Component-Ingredient Pair | N/A |
Occurrence of the ingredient across TCM components
| Component ID | Latin Name | Pinyin Name | Chinese Name |
|---|---|---|---|
| TCMH1064 | Coptis chinensis | Jiang Huang Lian | 姜黄连 |
| TCMH1161 | Coptis chinensis | Jiu Huang Lian | 酒黄连 |
| TCMH2248 | Corydalis decumbens | Xia Tian Wu | 夏天无 |
| TCMH2330 | Coptis chinensis | Xiong Huang Lian | 雄黄连 |
| TCMH2374 | Phellodendron amurense | Yan Guan Huang Bai | 盐关黄柏 |
| 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 |
| TCMH717 | Phellodendron amurense | Guan Huang Bai | 关黄柏 |
| TCMH949 | Phellodendron amurense | Huang Bai | 黄柏 |
Showing 1 to 10 of 15 entries
Ingredient ID: TCMC1788
Formula: C18H34O2
Ingredient ID: TCMC1788
| Common Name | Oleic Acid |
| IUPAC Name | (Z)-octadec-9-enoic acid |
| Canonical SMILES | CCCCCCCC/C=CCCCCCCCC(=O)O |
| Standard InCHI | InChI=1S/C18H34O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20/h9-10H,2-8,11-17H2,1H3,(H,19,20)/b10-9- |
| Standard InCHIKey | ZQPPMHVWECSIRJ-KTKRTIGZSA-N |
| External Identifiers | ChEMBL [CHEMBL8659]; PubChem [445639]; |
| Reference of Component-Ingredient Pair | 29968805 |
Occurrence of the ingredient across TCM components
| Component ID | Latin Name | Pinyin Name | Chinese Name |
|---|---|---|---|
| TCMH1000 | Foeniculum vulgare | Hui Xiang | 茴香 |
| TCMH1005 | Cannabis sativa | Huo Ma Ren | 火麻仁 |
| TCMH1008 | Pogostemon cablin | Huo Xiang | 藿香 |
| TCMH1009 | Pogostemon cablin | Huo Xiang Ye | 藿香叶 |
| TCMH1033 | Centella asiatica | Ji Xue Cao | 积雪草 |
| TCMH1063 | Curcuma longa | Jiang Huang | 姜黄 |
| TCMH108 | Perilla frutescens | Bai Su Zi | 白苏子 |
| TCMH1105 | Trollius chinensis | Jin Lian Hua | 金莲花 |
| TCMH1111 | Polygala glomerata | Jin Niu Cao | 金牛草 |
| TCMH1118 | Lygodium japonicum | Jin Sha Teng | 金沙藤 |
Showing 1 to 10 of 166 entries
Ingredient ID: TCMC1771
Formula: C26H30O7
Ingredient ID: TCMC1771
| Common Name | Obacunone |
| IUPAC Name | n.a. |
| Canonical SMILES | O=C1C=C[C@]2([C@H](C(O1)(C)C)CC(=O)[C@@]1([C@@H]2CC[C@@]2([C@]31O[C@@H]3C(=O)O[C@H]2c1ccoc1)C)C)C |
| Standard InCHI | InChI=1S/C26H30O7/c1-22(2)16-12-17(27)25(5)15(23(16,3)9-7-18(28)32-22)6-10-24(4)19(14-8-11-30-13-14)31-21(29)20-26(24,25)33-20/h7-9,11,13,15-16,19-20H,6,10,12H2,1-5H3/t15-,16+,19+,20-,23-,24+,25+,26-/m1/s1 |
| Standard InCHIKey | MAYJEFRPIKEYBL-OASIGRBWSA-N |
| External Identifiers | ChEMBL [CHEMBL404140]; PubChem [119041]; |
| Reference of Component-Ingredient Pair | 28657665 |
Occurrence of the ingredient across TCM components
| Component ID | Latin Name | Pinyin Name | Chinese Name |
|---|---|---|---|
| TCMH1178 | Citrus reticulata | Ju He | 橘核 |
| TCMH1179 | Citri exocarpium rubrum | Ju Hong | 橘红 |
| TCMH1184 | Citrus reticulata | Ju Pi | 橘皮 |
| TCMH1277 | Alpinia officinarum | Liang Jiang | 良姜 |
| 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 |
| TCMH2374 | Phellodendron amurense | Yan Guan Huang Bai | 盐关黄柏 |
| TCMH672 | Alpinia officinarum | Gao Liang Jiang | 高良姜 |
| TCMH673 | Alpinia officinarum | Gao Liang Jiang You | 高良姜油 |
Showing 1 to 10 of 14 entries
Ingredient ID: TCMC1761
Formula: C10H9NO3
Ingredient ID: TCMC1761
| Common Name | Noroxyhydrastinine |
| IUPAC Name | 7,8-dihydro-6H-[1,3]dioxolo[4,5-g]isoquinolin-5-one |
| Canonical SMILES | OC1=NCCc2c1cc1OCOc1c2 |
| Standard InCHI | InChI=1S/C10H9NO3/c12-10-7-4-9-8(13-5-14-9)3-6(7)1-2-11-10/h3-4H,1-2,5H2,(H,11,12) |
| Standard InCHIKey | VSOJKDUWYQCWFM-UHFFFAOYSA-N |
| External Identifiers | ChEMBL [CHEMBL449731]; PubChem [89047]; |
| Reference of Component-Ingredient Pair | N/A |
Occurrence of the ingredient across TCM components
| Component ID | Latin Name | Pinyin Name | Chinese Name |
|---|---|---|---|
| TCMH1064 | Coptis chinensis | Jiang Huang Lian | 姜黄连 |
| TCMH1161 | Coptis chinensis | Jiu Huang Lian | 酒黄连 |
| TCMH1416 | Thalictrum foliolosum | Ma Wei Lian | 马尾连 |
| TCMH1616 | Thalictrum alpinum | Pi Ma Cao | 披麻草 |
| 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 |
| 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 |
Showing 1 to 10 of 17 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: TCMC1636
Formula: C20H18NO4
Ingredient ID: TCMC1636
| Common Name | n.a. |
| IUPAC Name | n.a. |
| Canonical SMILES | COc1cc2c(cc1OC)CC[n+]1c2cc2ccc3c(c2c1)OCO3 |
| Standard InCHI | InChI=1S/C20H18NO4/c1-22-18-8-13-5-6-21-10-15-12(3-4-17-20(15)25-11-24-17)7-16(21)14(13)9-19(18)23-2/h3-4,7-10H,5-6,11H2,1-2H3/q+1 |
| Standard InCHIKey | FPJQGFLUORYYPE-UHFFFAOYSA-N |
| External Identifiers | ChEMBL [CHEMBL1197637]; PubChem [160876]; |
| Reference of Component-Ingredient Pair | 28167234 |
Occurrence of the ingredient across TCM components
| Component ID | Latin Name | Pinyin Name | Chinese Name |
|---|---|---|---|
| TCMH1064 | Coptis chinensis | Jiang Huang Lian | 姜黄连 |
| TCMH1161 | Coptis chinensis | Jiu Huang Lian | 酒黄连 |
| 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 |
| 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 |
| TCMH717 | Phellodendron amurense | Guan Huang Bai | 关黄柏 |
| TCMH949 | Phellodendron amurense | Huang Bai | 黄柏 |
Showing 1 to 10 of 15 entries
Ingredient ID: TCMC1622
Formula: C19H17N3O
Ingredient ID: TCMC1622
| Common Name | n.a. |
| IUPAC Name | n.a. |
| Canonical SMILES | O=C1c2ccccc2N([C@H]2N1CCc1c2[nH]c2c1cccc2)C |
| Standard InCHI | InChI=1S/C19H17N3O/c1-21-16-9-5-3-7-14(16)19(23)22-11-10-13-12-6-2-4-8-15(12)20-17(13)18(21)22/h2-9,18,20H,10-11H2,1H3/t18-/m0/s1 |
| Standard InCHIKey | TXDUTHBFYKGSAH-SFHVURJKSA-N |
| External Identifiers | ChEMBL [CHEMBL463165]; PubChem [442088]; |
| Reference of Component-Ingredient Pair | 27771931 |
Occurrence of the ingredient across TCM components
| Component ID | Latin Name | Pinyin Name | Chinese Name |
|---|---|---|---|
| TCMH2216 | Evodia rutaecarpa | Wu Zhu Yu | 吴茱萸 |
| TCMH2374 | Phellodendron amurense | Yan Guan Huang Bai | 盐关黄柏 |
| 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 6 of 6 entries
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: TCMC1586
Formula: C17H20N2O
Ingredient ID: TCMC1586
| Common Name | Michler's Ketone |
| IUPAC Name | bis[4-(dimethylamino)phenyl]methanone |
| Canonical SMILES | CN(c1ccc(cc1)C(=O)c1ccc(cc1)N(C)C)C |
| Standard InCHI | InChI=1S/C17H20N2O/c1-18(2)15-9-5-13(6-10-15)17(20)14-7-11-16(12-8-14)19(3)4/h5-12H,1-4H3 |
| Standard InCHIKey | VVBLNCFGVYUYGU-UHFFFAOYSA-N |
| External Identifiers | ChEMBL [CHEMBL15137]; PubChem [7031]; |
| Reference of Component-Ingredient Pair | N/A |
Occurrence of the ingredient across TCM components
| Component ID | Latin Name | Pinyin Name | Chinese Name |
|---|---|---|---|
| TCMH2374 | Phellodendron amurense | Yan Guan Huang Bai | 盐关黄柏 |
| 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 5 of 5 entries
Ingredient ID: TCMC1491
Formula: C26H30O8
Ingredient ID: TCMC1491
| Common Name | Limonin |
| IUPAC Name | n.a. |
| Canonical SMILES | O=C1OC[C@]23[C@H](C1)OC([C@@H]2CC(=O)[C@@]1([C@@H]3CC[C@@]2([C@]31O[C@@H]3C(=O)O[C@H]2c1cocc1)C)C)(C)C |
| Standard InCHI | InChI=1S/C26H30O8/c1-22(2)15-9-16(27)24(4)14(25(15)12-31-18(28)10-17(25)33-22)5-7-23(3)19(13-6-8-30-11-13)32-21(29)20-26(23,24)34-20/h6,8,11,14-15,17,19-20H,5,7,9-10,12H2,1-4H3/t14-,15-,17-,19-,20+,23-,24-,25+,26+/m0/s1 |
| Standard InCHIKey | KBDSLGBFQAGHBE-MSGMIQHVSA-N |
| External Identifiers | ChEMBL [CHEMBL517449]; PubChem [179651]; |
| Reference of Component-Ingredient Pair | 22526296 |
Occurrence of the ingredient across TCM components
| Component ID | Latin Name | Pinyin Name | Chinese Name |
|---|---|---|---|
| TCMH1064 | Coptis chinensis | Jiang Huang Lian | 姜黄连 |
| TCMH1161 | Coptis chinensis | Jiu Huang Lian | 酒黄连 |
| TCMH1178 | Citrus reticulata | Ju He | 橘核 |
| TCMH1179 | Citri exocarpium rubrum | Ju Hong | 橘红 |
| TCMH1184 | Citrus reticulata | Ju Pi | 橘皮 |
| TCMH1390 | Poncirus trifoliata | Lv Yi Zhi Shi | 绿衣枳实 |
| TCMH2201 | Securidaca inappendiculata | Wu Wei Teng | 五味藤 |
| TCMH2216 | Evodia rutaecarpa | Wu Zhu Yu | 吴茱萸 |
| TCMH2281 | Citrus medica | Xiang Yuan | 香橼 |
| TCMH2282 | Citrus medica | Xiang Yuan Pi | 香橼皮 |
Showing 1 to 10 of 27 entries
Ingredient ID: TCMC1424
Formula: C20H19NO4
Ingredient ID: TCMC1424
| Common Name | Jatrorrhizine |
| IUPAC Name | 2,9,10-trimethoxy-5,6-dihydroisoquinolino[2,1-b]isoquinolin-7-ium-3-ol |
| Canonical SMILES | COC1=CC2=c3cc4ccc(c(c4c[n+]3CCC2=CC1=O)OC)OC |
| Standard InCHI | InChI=1S/C20H19NO4/c1-23-18-5-4-12-8-16-14-10-19(24-2)17(22)9-13(14)6-7-21(16)11-15(12)20(18)25-3/h4-5,8-11H,6-7H2,1-3H3/p+1 |
| Standard InCHIKey | MXTLAHSTUOXGQF-UHFFFAOYSA-O |
| External Identifiers | ChEMBL [CHEMBL251055]; PubChem [72323]; |
| Reference of Component-Ingredient Pair | 22651959 |
Occurrence of the ingredient across TCM components
| Component ID | Latin Name | Pinyin Name | Chinese Name |
|---|---|---|---|
| TCMH1064 | Coptis chinensis | Jiang Huang Lian | 姜黄连 |
| TCMH1102 | Tinospora capillipes | Jin Guo Lan | 金果榄 |
| TCMH1161 | Coptis chinensis | Jiu Huang Lian | 酒黄连 |
| TCMH1326 | Physeter catodon | Long Xian Xiang | 龙涎香 |
| TCMH1416 | Thalictrum foliolosum | Ma Wei Lian | 马尾连 |
| TCMH1764 | Cortex berberidis | San Ke Zhen | 三棵针 |
| TCMH1765 | Cortex berberidis | San Ke Zhen Pi | 三棵针皮 |
| TCMH2248 | Corydalis decumbens | Xia Tian Wu | 夏天无 |
| TCMH2286 | Berberis julianae | Xiao Bo Gen | 小檗根 |
| TCMH2330 | Coptis chinensis | Xiong Huang Lian | 雄黄连 |
Showing 1 to 10 of 23 entries
Ingredient ID: TCMC1417
Formula: C8H8O3
Ingredient ID: TCMC1417
| Common Name | Isovanillin |
| IUPAC Name | 3-hydroxy-4-methoxybenzaldehyde |
| Canonical SMILES | O=Cc1ccc(c(c1)O)OC |
| Standard InCHI | InChI=1S/C8H8O3/c1-11-8-3-2-6(5-9)4-7(8)10/h2-5,10H,1H3 |
| Standard InCHIKey | JVTZFYYHCGSXJV-UHFFFAOYSA-N |
| External Identifiers | ChEMBL [CHEMBL275563]; PubChem [12127]; |
| Reference of Component-Ingredient Pair | 22260042 |
Occurrence of the ingredient across TCM components
| Component ID | Latin Name | Pinyin Name | Chinese Name |
|---|---|---|---|
| TCMH1211 | Melia azedarach | Ku Lian Pi | 苦楝皮 |
| TCMH1212 | Melia azedarach | Ku Lian Zi | 苦楝子 |
| TCMH1903 | Zingiber officinale | Sheng Jiang | 生姜 |
| TCMH213 | Boschniakia rossica | Cao Cong Rong | 草苁蓉 |
| TCMH2267 | Periploca sepium | Xiang Jia Pi | 香加皮 |
| TCMH2374 | Phellodendron amurense | Yan Guan Huang Bai | 盐关黄柏 |
| TCMH2488 | Alpinia oxyphylla | Yi Zhi | 益智 |
| TCMH2491 | Alpinia oxyphylla | Yi Zhi Ren | 益智仁 |
| TCMH2513 | Rhododendron mucronulatum | Ying Shan Hong | 映山红 |
| TCMH270 | Clerodendrum trichotomum | Chou Wu Tong | 臭梧桐 |
Showing 1 to 10 of 19 entries
Ingredient ID: TCMC1389
Formula: C10H12O2
Ingredient ID: TCMC1389
| Common Name | Isoeugenol |
| IUPAC Name | 2-methoxy-4-[(E)-prop-1-enyl]phenol |
| Canonical SMILES | C/C=C/c1ccc(c(c1)OC)O |
| Standard InCHI | InChI=1S/C10H12O2/c1-3-4-8-5-6-9(11)10(7-8)12-2/h3-7,11H,1-2H3/b4-3+ |
| Standard InCHIKey | BJIOGJUNALELMI-ONEGZZNKSA-N |
| External Identifiers | ChEMBL [CHEMBL193598]; PubChem [853433]; |
| Reference of Component-Ingredient Pair | 27986436 |
Occurrence of the ingredient across TCM components
| Component ID | Latin Name | Pinyin Name | Chinese Name |
|---|---|---|---|
| TCMH1063 | Curcuma longa | Jiang Huang | 姜黄 |
| TCMH1175 | Cornus officinalis | Jiu Yu Rou | 酒萸肉 |
| TCMH120 | Atractylodes macrocephala | Bai Zhu | 白术 |
| TCMH1296 | Ganoderma lucidum | Ling Zhi Jin Gao | 灵芝浸膏 |
| TCMH1299 | Ganoderma lucidum | Ling Zhi(1) | 灵芝 |
| TCMH1343 | Aloe vera | Lu Hui | 芦荟 |
| TCMH1367 | Apocynum venetum | Luo Bu Ma | 罗布麻 |
| TCMH1396 | Portulaca oleracea | Ma Chi Xian | 马齿苋 |
| TCMH1734 | Homo sapiens | Ren Zhong Bai | 人中白 |
| TCMH1741 | Myristica fragrans | Rou Dou Kou | 肉豆蔻 |
Showing 1 to 10 of 39 entries
Ingredient ID: TCMC1342
Formula: C21H25NO4.ClH
Ingredient ID: TCMC1342
| Common Name | Hydron;2,3,9,10-Tetramethoxy-6,8,13,13A-Tetrahydro-5H-Isoquinolino[2,1-B]Isoquinoline;Chloride |
| IUPAC Name | hydron;2,3,9,10-tetramethoxy-6,8,13,13a-tetrahydro-5H-isoquinolino[2,1-b]isoquinoline;chloride |
| Canonical SMILES | COc1cc2CCN3C(c2cc1OC)Cc1c(C3)c(OC)c(cc1)OC.Cl |
| Standard InCHI | InChI=1S/C21H25NO4.ClH/c1-23-18-6-5-13-9-17-15-11-20(25-3)19(24-2)10-14(15)7-8-22(17)12-16(13)21(18)26-4;/h5-6,10-11,17H,7-9,12H2,1-4H3;1H |
| Standard InCHIKey | MGSZZQQRTPWMEI-UHFFFAOYSA-N |
| External Identifiers | ChEMBL [CHEMBL1412574]; PubChem [645223]; |
| Reference of Component-Ingredient Pair | N/A |
Occurrence of the ingredient across TCM components
| Component ID | Latin Name | Pinyin Name | Chinese Name |
|---|---|---|---|
| TCMH1092 | Stephania sinica | Jin Bu Huan | 金不换 |
| TCMH1475 | Glycyrrhiza uralensis | Mi Gan Cao | 蜜甘草 |
| TCMH1899 | Glycyrrhiza uralensis | Sheng Gan Cao | 生甘草 |
| TCMH2135 | Glycyrrhiza uralensis | Tu Gan Cao | 土甘草 |
| 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 |
| TCMH628 | Glycyrrhiza uralensis | Gan Cao | 甘草 |
| TCMH629 | Glycyrrhiza uralensis | Gan Cao Fen | 甘草粉 |
| TCMH630 | Glycyrrhiza uralensis | Gan Cao Gan Gao | 甘草干膏 |
Showing 1 to 10 of 20 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: 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: TCMC1145
Formula: C11H12O4
Ingredient ID: TCMC1145
| Common Name | Ethyl Caffeate |
| IUPAC Name | ethyl (E)-3-(3,4-dihydroxyphenyl)prop-2-enoate |
| Canonical SMILES | CCOC(=O)/C=C/c1ccc(c(c1)O)O |
| Standard InCHI | InChI=1S/C11H12O4/c1-2-15-11(14)6-4-8-3-5-9(12)10(13)7-8/h3-7,12-13H,2H2,1H3/b6-4+ |
| Standard InCHIKey | WDKYDMULARNCIS-GQCTYLIASA-N |
| External Identifiers | ChEMBL [CHEMBL17347]; PubChem [5317238]; |
| Reference of Component-Ingredient Pair | N/A |
Occurrence of the ingredient across TCM components
| Component ID | Latin Name | Pinyin Name | Chinese Name |
|---|---|---|---|
| TCMH1153 | Vinum | Jiu | 酒 |
| TCMH1223 | Tussilago farfara | Kuan Dong Hua | 款冬花 |
| TCMH1483 | Tussilago farfara | Mi Kuan Dong Hua | 蜜款冬花 |
| TCMH1632 | Taraxacum mongolicum | Pu Gong Ying | 蒲公英 |
| TCMH1633 | Taraxacum mongolicum | Pu Gong Ying Jin Gao | 蒲公英浸膏 |
| TCMH2023 | Chloranthus holostegius | Si Kuai Wa | 四块瓦 |
| TCMH204 | Xanthium sibiricum | Cang Er | 苍耳 |
| TCMH205 | Xanthium sibiricum | Cang Er Cao | 苍耳草 |
| TCMH2267 | Periploca sepium | Xiang Jia Pi | 香加皮 |
| TCMH2337 | Flos inulae | Xuan Fu Hua | 旋覆花 |
Showing 1 to 10 of 21 entries
Ingredient ID: TCMC1131
Formula: C9H6O4
Ingredient ID: TCMC1131
| Common Name | Esculetin |
| IUPAC Name | 6,7-dihydroxychromen-2-one |
| Canonical SMILES | O=c1ccc2c(o1)cc(c(c2)O)O |
| Standard InCHI | InChI=1S/C9H6O4/c10-6-3-5-1-2-9(12)13-8(5)4-7(6)11/h1-4,10-11H |
| Standard InCHIKey | ILEDWLMCKZNDJK-UHFFFAOYSA-N |
| External Identifiers | ChEMBL [CHEMBL244743]; PubChem [5281416]; |
| Reference of Component-Ingredient Pair | 22733374 |
Occurrence of the ingredient across TCM components
| Component ID | Latin Name | Pinyin Name | Chinese Name |
|---|---|---|---|
| TCMH1032 | Impatiens balsamina | Ji Xing Zi | 急性子 |
| TCMH108 | Perilla frutescens | Bai Su Zi | 白苏子 |
| TCMH1105 | Trollius chinensis | Jin Lian Hua | 金莲花 |
| TCMH1127 | Lonicera japonica | Jin Yin Hua | 金银花 |
| TCMH1128 | Lonicera japonica | Jin Yin Hua Ti Qu Ye | 金银花提取液 |
| TCMH1162 | Sarcandra glabra | Jiu Jie Cha | 九节茶 |
| TCMH1185 | Lycium chinense | Gou Qi | 枸杞 |
| TCMH1186 | Lycium chinense | Gou Qi Zi | 枸杞子 |
| TCMH12 | Artemisia argyi | Ai Ye | 艾叶 |
| TCMH120 | Atractylodes macrocephala | Bai Zhu | 白术 |
Showing 1 to 10 of 79 entries
Properties
| Ingredient ID | Formulae | Name | MW | AlogP | MlogP | XlogP | # HBA | # HBD | PSA | # Rotatable Bond | # Ring | # Heacy Atom | Lipinski RO5 Violation |
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| TCMC1131 | C9H6O4 | Esculetin | 178.03 | -0.6506 | 2.01 | 0.998 | 1 | 2 | 66.76 | 2 | 2 | 13 | 0 |
| TCMC1145 | C11H12O4 | Ethyl Caffeate | 208.07 | -0.2979 | 2.23 | 1.885 | 2 | 2 | 66.76 | 7 | 1 | 15 | 0 |
| TCMC1173 | C10H10O4 | Ferulic Acid | 194.06 | -0.3908 | 2.12 | 1.231 | 2 | 2 | 66.76 | 6 | 1 | 14 | 0 |
| TCMC1210 | C13H11NO3 | Gamma-Fagarine | 229.07 | -0.2577 | 2.45 | 2.068 | 1 | 0 | 44.49 | 4 | 3 | 17 | 0 |
| TCMC1342 | C21H25NO4.ClH | Hydron;2,3,9,10-Tetramethoxy-6,8,13,13A-Tetrahydro-5H-Isoquinolino[2,1-B]Isoquinoline;Chloride | 355.18 | 0.0968 | 3.22 | 2.548 | 1 | 0 | 40.16 | 8 | 4 | 26 | 0 |
| TCMC1389 | C10H12O2 | Isoeugenol | 164.08 | 0.3952 | 2.34 | 2.805 | 0 | 1 | 29.46 | 5 | 1 | 12 | 0 |
| TCMC1417 | C8H8O3 | Isovanillin | 152.05 | -0.7045 | 2.01 | 1.04 | 1 | 1 | 46.53 | 4 | 1 | 11 | 0 |
| TCMC1424 | C20H19NO4 | Jatrorrhizine | 338.14 | -1.5606 | 3.11 | 1.039 | 2 | 1 | 49.2 | 6 | 4 | 25 | 0 |
| TCMC1491 | C26H30O8 | Limonin | 470.19 | -0.4484 | 3.44 | 1.644 | 7 | 0 | 104.57 | 5 | 7 | 34 | 0 |
| TCMC1586 | C17H20N2O | Michler's Ketone | 268.16 | 0.1718 | 3 | 3.609 | 3 | 0 | 23.55 | 8 | 2 | 20 | 0 |
Showing 1 to 10 of 55 entries
Download Data
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