Description of the Component
Component ID |
TCMH1499 |
Latin Name |
Changium smyrnioides |
English Name |
Medicinal changium |
Chinese Pinyin Name |
Ming Dang Shen |
中文名 |
明党参 |
TCM Properties |
Minor cold,Sweet,Slightly Bitter |
TCM Meridians |
Lung,Spleen,Liver |
Therapeutic Class English |
For tonifying weakness |
Therapeutic Class Chinese |
补虚 |
Functions |
moisten the lung and resolve phlegm, nourish yin and regulate the function of the stomach, subdue hyperactivity of the liver, and counteract toxicity |
Toxicity |
NA |
Geo-authentic habitats (道地产区) |
Jiangsu Province,Shanghai |
Reference |
Chinese Classical Prescriptions |
Barcode ID |
|
Barcode Source |
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 |
| TCMT101 | PTPN1 | Protein-tyrosine phosphatase 1B | Hydrolase | P18031 |
| TCMT11 | HIF1A | Hypoxia-inducible factor 1 alpha | Transcription factor | Q16665 |
| TCMT125 | GBA | Beta-glucocerebrosidase | Hydrolase | P04062 |
| TCMT13 | APEX1 | DNA-(apurinic or apyrimidinic site) lyase | Lyase | P27695 |
| TCMT130 | ALOX5 | Arachidonate 5-lipoxygenase | Oxidoreductase | P09917 |
| TCMT131 | ACHE | Acetylcholinesterase | Hydrolase | P22303 |
| TCMT133 | CA1 | Carbonic anhydrase I | Lyase | P00915 |
| TCMT134 | CA2 | Carbonic anhydrase II | Lyase | P00918 |
| TCMT135 | CA14 | Carbonic anhydrase XIV | Lyase | Q9ULX7 |
Showing 1 to 10 of 81 entries
Targeted Pathogenic Microbes by the Ingredient of Component
| Target ID | Target Name |
|---|---|
| TCMT1090 | Human immunodeficiency virus type 1 integrase |
| TCMT1108 | Integrase |
| TCMT1109 | Reverse transcriptase |
| TCMT1112 | Quinolone resistance protein norA |
| TCMT1178 | Actinomyces viscosus |
| TCMT1189 | Pseudomonas fluorescens |
| TCMT1190 | Plasmodium falciparum (isolate FcB1 / Columbia) |
| TCMT1222 | Plasmodium falciparum D6 |
| TCMT1246 | Escherichia coli |
| TCMT1349 | Helicobacter pylori SS1 |
Showing 1 to 10 of 17 entries
Ingredient Structrues
Ingredient ID: TCMC913
Formula: C15H14O6
Ingredient ID: TCMC913
| Common Name | Cianidanol |
| IUPAC Name | (2R,3S)-2-(3,4-dihydroxyphenyl)-3,4-dihydro-2H-chromene-3,5,7-triol |
| Canonical SMILES | Oc1cc2O[C@H](c3ccc(c(c3)O)O)[C@H](Cc2c(c1)O)O |
| Standard InCHI | InChI=1S/C15H14O6/c16-8-4-11(18)9-6-13(20)15(21-14(9)5-8)7-1-2-10(17)12(19)3-7/h1-5,13,15-20H,6H2/t13-,15+/m0/s1 |
| Standard InCHIKey | PFTAWBLQPZVEMU-DZGCQCFKSA-N |
| External Identifiers | ChEMBL [CHEMBL311498]; PubChem [9064]; |
| Reference of Component-Ingredient Pair | 26452509 |
Occurrence of the ingredient across TCM components
| Component ID | Latin Name | Pinyin Name | Chinese Name |
|---|---|---|---|
| TCMH1011 | Sargentodoxa cuneata | Huo Xue Teng | 活血藤 |
| TCMH1033 | Centella asiatica | Ji Xue Cao | 积雪草 |
| TCMH1039 | Kummerowia striata | Ji Yan Cao | 鸡眼草 |
| TCMH104 | Paeonia lactiflora | Bai Shao | 白芍 |
| TCMH105 | Paeonia lactiflora | Bai Shao Gan Jin Gao | 白芍干浸膏 |
| TCMH1090 | Brassica juncea | Jie Zi | 芥子 |
| TCMH1105 | Trollius chinensis | Jin Lian Hua | 金莲花 |
| TCMH1117 | Rhizoma fagopyri cymosi | Jin Qiao Mai | 金荞麦 |
| TCMH1133 | Rosa laevigata | Jin Ying Zi | 金樱子 |
| TCMH1134 | Rosa laevigata | Jin Ying Zi Rou | 金樱子肉 |
Showing 1 to 10 of 134 entries
Ingredient ID: 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: TCMC787
Formula: C12H8O4
Ingredient ID: TCMC787
| Common Name | Bergapten |
| IUPAC Name | 4-methoxyfuro[3,2-g]chromen-7-one |
| Canonical SMILES | COc1c2ccc(=O)oc2cc2c1cco2 |
| Standard InCHI | InChI=1S/C12H8O4/c1-14-12-7-2-3-11(13)16-10(7)6-9-8(12)4-5-15-9/h2-6H,1H3 |
| Standard InCHIKey | BGEBZHIAGXMEMV-UHFFFAOYSA-N |
| External Identifiers | ChEMBL [CHEMBL24171]; PubChem [2355]; |
| Reference of Component-Ingredient Pair | 22407843 |
Occurrence of the ingredient across TCM components
| Component ID | Latin Name | Pinyin Name | Chinese Name |
|---|---|---|---|
| TCMH1179 | Citri exocarpium rubrum | Ju Hong | 橘红 |
| 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 |
| TCMH1359 | Pyrola calliantha | Lu Xian Cao | 鹿衔草 |
| TCMH147 | Glehnia littoralis | Bei Sha Shen | 北沙参 |
| TCMH148 | Glehnia littoralis | Bei Sha Shen Liu Jin Gao | 北沙参流浸膏 |
| TCMH1499 | Changium smyrnioides | Ming Dang Shen | 明党参 |
| TCMH1656 | Angelica decursiva | Qian Hu | 前胡 |
| TCMH1782 | Ruta graveolens | San Ya Ku | 三桠苦 |
Showing 1 to 10 of 36 entries
Ingredient ID: TCMC731
Formula: C6H8O6
Ingredient ID: TCMC731
| Common Name | Ascorbate |
| IUPAC Name | (2R)-2-[(1S)-1,2-dihydroxyethyl]-3,4-dihydroxy-2H-furan-5-one |
| Canonical SMILES | OC[C@@H]([C@H]1OC(=O)C(=C1O)O)O |
| Standard InCHI | InChI=1S/C6H8O6/c7-1-2(8)5-3(9)4(10)6(11)12-5/h2,5,7-10H,1H2/t2-,5+/m0/s1 |
| Standard InCHIKey | CIWBSHSKHKDKBQ-JLAZNSOCSA-N |
| External Identifiers | ChEMBL [CHEMBL196]; PubChem [54670067]; |
| Reference of Component-Ingredient Pair | 27019979 |
Occurrence of the ingredient across TCM components
| Component ID | Latin Name | Pinyin Name | Chinese Name |
|---|---|---|---|
| TCMH1033 | Centella asiatica | Ji Xue Cao | 积雪草 |
| TCMH1185 | Lycium chinense | Gou Qi | 枸杞 |
| TCMH1186 | Lycium chinense | Gou Qi Zi | 枸杞子 |
| TCMH1343 | Aloe vera | Lu Hui | 芦荟 |
| TCMH1499 | Changium smyrnioides | Ming Dang Shen | 明党参 |
| TCMH1518 | Chaenomeles sinensis | Mu Gua | 木瓜 |
| TCMH1734 | Homo sapiens | Ren Zhong Bai | 人中白 |
| TCMH1792 | Morus alba | Sang Pi | 桑皮 |
| TCMH1797 | Morus alba | Sang Ye | 桑叶 |
| TCMH1798 | Morus alba | Sang Zhi | 桑枝 |
Showing 1 to 10 of 40 entries
Ingredient ID: TCMC673
Formula: C29H50O2
Ingredient ID: TCMC673
| Common Name | Alpha-Tochopherol |
| IUPAC Name | 2,5,7,8-tetramethyl-2-(4,8,12-trimethyltridecyl)-3,4-dihydrochromen-6-ol |
| Canonical SMILES | CC(CCCC1(C)CCc2c(O1)c(C)c(c(c2C)O)C)CCCC(CCCC(C)C)C |
| Standard InCHI | InChI=1S/C29H50O2/c1-20(2)12-9-13-21(3)14-10-15-22(4)16-11-18-29(8)19-17-26-25(7)27(30)23(5)24(6)28(26)31-29/h20-22,30H,9-19H2,1-8H3 |
| Standard InCHIKey | GVJHHUAWPYXKBD-UHFFFAOYSA-N |
| External Identifiers | ChEMBL [CHEMBL49563]; PubChem [2116]; |
| Reference of Component-Ingredient Pair | 21736730 |
Occurrence of the ingredient across TCM components
| Component ID | Latin Name | Pinyin Name | Chinese Name |
|---|---|---|---|
| TCMH108 | Perilla frutescens | Bai Su Zi | 白苏子 |
| TCMH1090 | Brassica juncea | Jie Zi | 芥子 |
| TCMH1239 | Raphanus sativus | Lai Fu | 莱菔 |
| TCMH1240 | Raphanus sativus | Lai Fu Zi | 莱菔子 |
| TCMH1499 | Changium smyrnioides | Ming Dang Shen | 明党参 |
| TCMH1632 | Taraxacum mongolicum | Pu Gong Ying | 蒲公英 |
| TCMH1633 | Taraxacum mongolicum | Pu Gong Ying Jin Gao | 蒲公英浸膏 |
| TCMH1708 | Polygonum bistorta | Quan Shen | 拳参 |
| TCMH1903 | Zingiber officinale | Sheng Jiang | 生姜 |
| TCMH1943 | Punica granatum | Shi Liu | 石榴 |
Showing 1 to 10 of 35 entries
Ingredient ID: TCMC4959
Formula: C13H22O2
Ingredient ID: TCMC4959
| Common Name | Neryl Propionate |
| IUPAC Name | [(2Z)-3,7-dimethylocta-2,6-dienyl] propanoate |
| Canonical SMILES | CCC(=O)OC/C=C(CCC=C(C)C)/C |
| Standard InCHI | InChI=1S/C13H22O2/c1-5-13(14)15-10-9-12(4)8-6-7-11(2)3/h7,9H,5-6,8,10H2,1-4H3/b12-9- |
| Standard InCHIKey | BYCHQEILESTMQU-XFXZXTDPSA-N |
| External Identifiers | ChEMBL [N/A]; PubChem [5365982]; |
| Reference of Component-Ingredient Pair | 11413487 |
Occurrence of the ingredient across TCM components
Ingredient ID: TCMC491
Formula: C24H34N4O5S
Ingredient ID: TCMC491
| Common Name | 4-Ethyl-3-Methyl-N-[2-[4-[(4-Methylcyclohexyl)Carbamoylsulfamoyl]Phenyl]Ethyl]-5-Oxo-2H-Pyrrole-1-Carboxamide |
| IUPAC Name | 4-ethyl-3-methyl-N-[2-[4-[(4-methylcyclohexyl)carbamoylsulfamoyl]phenyl]ethyl]-5-oxo-2H-pyrrole-1-carboxamide |
| Canonical SMILES | CCC1=C(C)CN(C1=O)C(=NCCc1ccc(cc1)S(=O)(=O)NC(=NC1CCC(CC1)C)O)O |
| Standard InCHI | InChI=1S/C24H34N4O5S/c1-4-21-17(3)15-28(22(21)29)24(31)25-14-13-18-7-11-20(12-8-18)34(32,33)27-23(30)26-19-9-5-16(2)6-10-19/h7-8,11-12,16,19H,4-6,9-10,13-15H2,1-3H3,(H,25,31)(H2,26,27,30) |
| Standard InCHIKey | WIGIZIANZCJQQY-UHFFFAOYSA-N |
| External Identifiers | ChEMBL [CHEMBL149223]; PubChem [3476]; |
| Reference of Component-Ingredient Pair | N/A |
Occurrence of the ingredient across TCM components
| Component ID | Latin Name | Pinyin Name | Chinese Name |
|---|---|---|---|
| TCMH1090 | Brassica juncea | Jie Zi | 芥子 |
| TCMH1499 | Changium smyrnioides | Ming Dang Shen | 明党参 |
| TCMH1903 | Zingiber officinale | Sheng Jiang | 生姜 |
| TCMH210 | Terminalia chebula | Cang Qing Guo | 藏青果 |
| TCMH407 | Salvia miltiorrhiza | Dan Shen | 丹参 |
| TCMH408 | Salvia miltiorrhiza | Dan Shen Gan Jin Gao | 丹参干浸膏 |
| TCMH409 | Salvia miltiorrhiza | Dan Shen Jin Gao | 丹参浸膏 |
| TCMH79 | Sinapis alba | Bai Jie Zi | 白芥子 |
| TCMH826 | Terminalia chebula | He Zi | 诃子 |
| TCMH827 | Terminalia chebula | He Zi Rou | 诃子肉 |
Showing 1 to 10 of 11 entries
Ingredient ID: TCMC4401
Formula: C18H32O2
Ingredient ID: TCMC4401
| Common Name | Isolinolic Acid |
| IUPAC Name | (9E,11E)-octadeca-9,11-dienoic acid |
| Canonical SMILES | CCCCCC/C=C/C=C/CCCCCCCC(=O)[O-] |
| Standard InCHI | InChI=1S/C18H32O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20/h7-10H,2-6,11-17H2,1H3,(H,19,20)/p-1/b8-7+,10-9+ |
| Standard InCHIKey | JBYXPOFIGCOSSB-XBLVEGMJSA-M |
| External Identifiers | ChEMBL [N/A]; PubChem [5282796]; |
| Reference of Component-Ingredient Pair | 29968805 |
Occurrence of the ingredient across TCM components
Ingredient ID: TCMC4396
Formula: C18H34O2
Ingredient ID: TCMC4396
| Common Name | Isooleic Acid |
| IUPAC Name | (E)-octadec-10-enoic acid |
| Canonical SMILES | CCCCCCC/C=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/h8-9H,2-7,10-17H2,1H3,(H,19,20)/p-1/b9-8+ |
| Standard InCHIKey | QXJSBBXBKPUZAA-CMDGGOBGSA-M |
| External Identifiers | ChEMBL [N/A]; PubChem [5282760]; |
| Reference of Component-Ingredient Pair | 19319523 |
Occurrence of the ingredient across TCM components
Ingredient ID: TCMC4324
Formula: C29H48O
Ingredient ID: TCMC4324
| Common Name | Stigmasterol |
| IUPAC Name | (3S,8S,9S,10R,13R,14S,17R)-17-[(E,2R,5R)-5-ethyl-6-methylhept-3-en-2-yl]-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-ol |
| Canonical SMILES | CC[C@H](C(C)C)/C=C/[C@H]([C@H]1CC[C@@H]2[C@]1(C)CC[C@H]1[C@H]2CC=C2[C@]1(C)CC[C@@H](C2)O)C |
| Standard InCHI | InChI=1S/C29H48O/c1-7-21(19(2)3)9-8-20(4)25-12-13-26-24-11-10-22-18-23(30)14-16-28(22,5)27(24)15-17-29(25,26)6/h8-10,19-21,23-27,30H,7,11-18H2,1-6H3/b9-8+/t20-,21+,23+,24+,25-,26+,27+,28+,29-/m1/s1 |
| Standard InCHIKey | HCXVJBMSMIARIN-KEJCWXRGSA-N |
| External Identifiers | ChEMBL [CHEMBL400247]; PubChem [5281330]; |
| Reference of Component-Ingredient Pair | 24242815 |
Occurrence of the ingredient across TCM components
| Component ID | Latin Name | Pinyin Name | Chinese Name |
|---|---|---|---|
| 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 |
| TCMH1376 | Trachelospermum jasminoides | Luo Shi Teng | 络石藤 |
| TCMH1423 | Ophiopogon japonicus | Mai Dong | 麦冬 |
| TCMH1499 | Changium smyrnioides | Ming Dang Shen | 明党参 |
| TCMH1531 | Akebia quinata | Mu Tong | 木通 |
| TCMH1533 | Saussurea lappa | Mu Xiang | 木香 |
| TCMH1680 | Sinomenium acutum | Qing Feng Teng | 青风藤 |
| TCMH1721 | Panax ginseng | Ren Shen | 人参 |
Showing 1 to 10 of 37 entries
Ingredient ID: TCMC386
Formula: C31H46O2
Ingredient ID: TCMC386
| Common Name | 2-Methyl-3-[(E)-3,7,11,15-Tetramethylhexadec-2-Enyl]Naphthalene-1,4-Dione |
| IUPAC Name | 2-methyl-3-[(E)-3,7,11,15-tetramethylhexadec-2-enyl]naphthalene-1,4-dione |
| Canonical SMILES | CC(CCCC(CCCC(C)C)C)CCC/C(=C/CC1=C(C)C(=O)c2c(C1=O)cccc2)/C |
| Standard InCHI | InChI=1S/C31H46O2/c1-22(2)12-9-13-23(3)14-10-15-24(4)16-11-17-25(5)20-21-27-26(6)30(32)28-18-7-8-19-29(28)31(27)33/h7-8,18-20,22-24H,9-17,21H2,1-6H3/b25-20+ |
| Standard InCHIKey | MBWXNTAXLNYFJB-LKUDQCMESA-N |
| External Identifiers | ChEMBL [CHEMBL520156]; PubChem [5280483]; |
| Reference of Component-Ingredient Pair | N/A |
Occurrence of the ingredient across TCM components
| Component ID | Latin Name | Pinyin Name | Chinese Name |
|---|---|---|---|
| TCMH1005 | Cannabis sativa | Huo Ma Ren | 火麻仁 |
| TCMH1381 | Folium camelliae sinensis | Lv Cha | 绿茶 |
| TCMH1409 | Cannabis sativa | Ma Ren | 麻仁 |
| TCMH1484 | Apis cerana | Mi La | 蜜蜡 |
| TCMH1499 | Changium smyrnioides | Ming Dang Shen | 明党参 |
| TCMH2244 | Prunella vulgaris | Xia Ku Cao | 夏枯草 |
| TCMH226 | Camellia sinensis | Cha Ye | 茶叶 |
| TCMH2538 | Zea mays | Yu Mi Xu | 玉米须 |
| TCMH321 | Rosa roxburghii | Ci Li Guo | 刺梨果 |
| TCMH51 | Camellia sinensis | Bai Cha | 白茶 |
Showing 1 to 10 of 11 entries
Ingredient ID: TCMC2232
Formula: C29H50O2
Ingredient ID: TCMC2232
| Common Name | Vitamin E |
| IUPAC Name | (2R)-2,5,7,8-tetramethyl-2-[(4R,8R)-4,8,12-trimethyltridecyl]-3,4-dihydrochromen-6-ol |
| Canonical SMILES | C[C@@H](CCC[C@]1(C)CCc2c(O1)c(C)c(c(c2C)O)C)CCC[C@@H](CCCC(C)C)C |
| Standard InCHI | InChI=1S/C29H50O2/c1-20(2)12-9-13-21(3)14-10-15-22(4)16-11-18-29(8)19-17-26-25(7)27(30)23(5)24(6)28(26)31-29/h20-22,30H,9-19H2,1-8H3/t21-,22-,29-/m1/s1 |
| Standard InCHIKey | GVJHHUAWPYXKBD-IEOSBIPESA-N |
| External Identifiers | ChEMBL [CHEMBL47]; PubChem [14985]; |
| Reference of Component-Ingredient Pair | 23122131 |
Occurrence of the ingredient across TCM components
| Component ID | Latin Name | Pinyin Name | Chinese Name |
|---|---|---|---|
| TCMH108 | Perilla frutescens | Bai Su Zi | 白苏子 |
| TCMH1090 | Brassica juncea | Jie Zi | 芥子 |
| TCMH1239 | Raphanus sativus | Lai Fu | 莱菔 |
| TCMH1240 | Raphanus sativus | Lai Fu Zi | 莱菔子 |
| TCMH1499 | Changium smyrnioides | Ming Dang Shen | 明党参 |
| TCMH1584 | Achyranthes bidentata | Niu Teng | 牛藤 |
| TCMH1588 | Achyranthes bidentata | Niu Xi | 牛膝 |
| TCMH1632 | Taraxacum mongolicum | Pu Gong Ying | 蒲公英 |
| TCMH1633 | Taraxacum mongolicum | Pu Gong Ying Jin Gao | 蒲公英浸膏 |
| TCMH1643 | Syzygium jambos | Pu Tao(1) | 蒲桃 |
Showing 1 to 10 of 47 entries
Ingredient ID: TCMC2222
Formula: C8H8O4
Ingredient ID: TCMC2222
| Common Name | Vanillic Acid |
| IUPAC Name | 4-hydroxy-3-methoxybenzoic acid |
| Canonical SMILES | COc1cc(ccc1O)C(=O)O |
| Standard InCHI | InChI=1S/C8H8O4/c1-12-7-4-5(8(10)11)2-3-6(7)9/h2-4,9H,1H3,(H,10,11) |
| Standard InCHIKey | WKOLLVMJNQIZCI-UHFFFAOYSA-N |
| External Identifiers | ChEMBL [CHEMBL120568]; PubChem [8468]; |
| Reference of Component-Ingredient Pair | 23800587 |
Occurrence of the ingredient across TCM components
| Component ID | Latin Name | Pinyin Name | Chinese Name |
|---|---|---|---|
| TCMH1008 | Pogostemon cablin | Huo Xiang | 藿香 |
| TCMH1009 | Pogostemon cablin | Huo Xiang Ye | 藿香叶 |
| TCMH1011 | Sargentodoxa cuneata | Huo Xue Teng | 活血藤 |
| TCMH1032 | Impatiens balsamina | Ji Xing Zi | 急性子 |
| TCMH1064 | Coptis chinensis | Jiang Huang Lian | 姜黄连 |
| TCMH108 | Perilla frutescens | Bai Su Zi | 白苏子 |
| TCMH1086 | Sambucus williamsii | Jie Gu Mu | 接骨木 |
| TCMH1105 | Trollius chinensis | Jin Lian Hua | 金莲花 |
| TCMH1127 | Lonicera japonica | Jin Yin Hua | 金银花 |
| TCMH1128 | Lonicera japonica | Jin Yin Hua Ti Qu Ye | 金银花提取液 |
Showing 1 to 10 of 168 entries
Ingredient ID: TCMC2160
Formula: C12H17N4OS.2ClH
Ingredient ID: TCMC2160
| Common Name | Thiamine Hydrochloride |
| IUPAC Name | [5-[[5-(2-hydroxyethyl)-4-methyl-1,3-thiazol-3-ium-3-yl]methyl]-2-methylpyrimidin-4-yl]azanium;dichloride |
| Canonical SMILES | OCCc1sc[n+](c1C)Cc1cnc([nH]c1=N)C.Cl.[Cl-] |
| Standard InCHI | InChI=1S/C12H17N4OS.2ClH/c1-8-11(3-4-17)18-7-16(8)6-10-5-14-9(2)15-12(10)13;;/h5,7,17H,3-4,6H2,1-2H3,(H2,13,14,15);2*1H/q+1;;/p-1 |
| Standard InCHIKey | DPJRMOMPQZCRJU-UHFFFAOYSA-M |
| External Identifiers | ChEMBL [CHEMBL1200941]; PubChem [517305]; |
| Reference of Component-Ingredient Pair | N/A |
Occurrence of the ingredient across TCM components
Ingredient ID: TCMC2159
Formula: C12H17N4OS.ClH
Ingredient ID: TCMC2159
| Common Name | Thiamine Chloride |
| IUPAC Name | 2-[3-[(4-amino-2-methylpyrimidin-5-yl)methyl]-4-methyl-1,3-thiazol-3-ium-5-yl]ethanol;chloride |
| Canonical SMILES | OCCc1sc[n+](c1C)Cc1cnc([nH]c1=N)C.[Cl-] |
| Standard InCHI | InChI=1S/C12H17N4OS.ClH/c1-8-11(3-4-17)18-7-16(8)6-10-5-14-9(2)15-12(10)13;/h5,7,17H,3-4,6H2,1-2H3,(H2,13,14,15);1H/q+1;/p-1 |
| Standard InCHIKey | MYVIATVLJGTBFV-UHFFFAOYSA-M |
| External Identifiers | ChEMBL [CHEMBL1588]; PubChem [23423984]; |
| Reference of Component-Ingredient Pair | N/A |
Occurrence of the ingredient across TCM components
Ingredient ID: TCMC2158
Formula: C12H17N4OS
Ingredient ID: TCMC2158
| Common Name | Thiamine |
| IUPAC Name | 2-[3-[(4-amino-2-methylpyrimidin-5-yl)methyl]-4-methyl-1,3-thiazol-3-ium-5-yl]ethanol |
| Canonical SMILES | OCCc1sc[n+](c1C)Cc1cnc([nH]c1=N)C |
| Standard InCHI | InChI=1S/C12H17N4OS/c1-8-11(3-4-17)18-7-16(8)6-10-5-14-9(2)15-12(10)13/h5,7,17H,3-4,6H2,1-2H3,(H2,13,14,15)/q+1 |
| Standard InCHIKey | JZRWCGZRTZMZEH-UHFFFAOYSA-N |
| External Identifiers | ChEMBL [CHEMBL1547]; PubChem [1130]; |
| Reference of Component-Ingredient Pair | 22807026 |
Occurrence of the ingredient across TCM components
| Component ID | Latin Name | Pinyin Name | Chinese Name |
|---|---|---|---|
| TCMH108 | Perilla frutescens | Bai Su Zi | 白苏子 |
| TCMH1499 | Changium smyrnioides | Ming Dang Shen | 明党参 |
| TCMH1537 | Baphicacanthus cusia | Nan Ban Lan Gen | 南板蓝根 |
| TCMH1538 | Baphicacanthus cusia | Nan Ban Lan Gen Jin Gao Fen | 南板蓝根浸膏粉 |
| TCMH1734 | Homo sapiens | Ren Zhong Bai | 人中白 |
| TCMH2213 | Ipomoea cairica | Wu Zhao Long | 五爪龙 |
| TCMH2375 | Trigonella foenum-graecum | Yan Hu Lu Ba | 盐胡芦巴 |
| TCMH2710 | Homo sapiens | Zi He Che | 紫河车 |
Showing 1 to 8 of 8 entries
Ingredient ID: TCMC2016
Formula: C17H20N4O6
Ingredient ID: TCMC2016
| Common Name | Riboflavin |
| IUPAC Name | 7,8-dimethyl-10-[(2S,3S,4R)-2,3,4,5-tetrahydroxypentyl]benzo[g]pteridine-2,4-dione |
| Canonical SMILES | OC[C@H]([C@H]([C@H](Cn1c2cc(C)c(cc2nc2c1nc(=O)nc2O)C)O)O)O |
| Standard InCHI | InChI=1S/C17H20N4O6/c1-7-3-9-10(4-8(7)2)21(5-11(23)14(25)12(24)6-22)15-13(18-9)16(26)20-17(27)19-15/h3-4,11-12,14,22-25H,5-6H2,1-2H3,(H,20,26,27)/t11-,12+,14-/m0/s1 |
| Standard InCHIKey | AUNGANRZJHBGPY-SCRDCRAPSA-N |
| External Identifiers | ChEMBL [CHEMBL1534]; PubChem [493570]; |
| Reference of Component-Ingredient Pair | N/A |
Occurrence of the ingredient across TCM components
| Component ID | Latin Name | Pinyin Name | Chinese Name |
|---|---|---|---|
| TCMH1146 | Oryza sativa | Jing Mi | 粳米 |
| TCMH1185 | Lycium chinense | Gou Qi | 枸杞 |
| TCMH1186 | Lycium chinense | Gou Qi Zi | 枸杞子 |
| TCMH1329 | Arillus longan | Long Yan Rou | 龙眼肉 |
| TCMH1339 | Phragmites communis | Lu Gen | 芦根 |
| TCMH1383 | Onobrychis viciifolia | Lv Dou | 绿豆 |
| TCMH1499 | Changium smyrnioides | Ming Dang Shen | 明党参 |
| TCMH1632 | Taraxacum mongolicum | Pu Gong Ying | 蒲公英 |
| TCMH1633 | Taraxacum mongolicum | Pu Gong Ying Jin Gao | 蒲公英浸膏 |
| TCMH1663 | Semen euryales | Qian Shi | 芡实 |
Showing 1 to 10 of 26 entries
Ingredient ID: TCMC1961
Formula: C11H6O3
Ingredient ID: TCMC1961
| Common Name | Psoralen |
| IUPAC Name | furo[3,2-g]chromen-7-one |
| Canonical SMILES | O=c1ccc2c(o1)cc1c(c2)cco1 |
| Standard InCHI | InChI=1S/C11H6O3/c12-11-2-1-7-5-8-3-4-13-9(8)6-10(7)14-11/h1-6H |
| Standard InCHIKey | ZCCUUQDIBDJBTK-UHFFFAOYSA-N |
| External Identifiers | ChEMBL [CHEMBL164660]; PubChem [6199]; |
| Reference of Component-Ingredient Pair | 22407843 |
Occurrence of the ingredient across TCM components
| Component ID | Latin Name | Pinyin Name | Chinese Name |
|---|---|---|---|
| TCMH147 | Glehnia littoralis | Bei Sha Shen | 北沙参 |
| TCMH148 | Glehnia littoralis | Bei Sha Shen Liu Jin Gao | 北沙参流浸膏 |
| TCMH1499 | Changium smyrnioides | Ming Dang Shen | 明党参 |
| TCMH1628 | Fructus psoraleae corylifoliae | Po Gu Zhi | 破故纸 |
| TCMH1782 | Ruta graveolens | San Ya Ku | 三桠苦 |
| TCMH1806 | Radix glehniae | Sha Shen | 沙参 |
| TCMH1866 | Cnidium monnieri | She Chuang Zi | 蛇床子 |
| TCMH1872 | Cnidium monnieri | She Ma Zi | 蛇麻子 |
| TCMH193 | Psoralea corylifolia | Bu Gu Zhi | 补骨脂 |
| TCMH2069 | Aconitum tanguticum | Tang Gu Te Wu Tou | 唐古特乌头 |
Showing 1 to 10 of 19 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: TCMC1858
Formula: C16H14O4
Ingredient ID: TCMC1858
| Common Name | Pentosalen |
| IUPAC Name | 9-(3-methylbut-2-enoxy)furo[3,2-g]chromen-7-one |
| Canonical SMILES | CC(=CCOc1c2occc2cc2c1oc(=O)cc2)C |
| Standard InCHI | InChI=1S/C16H14O4/c1-10(2)5-7-19-16-14-12(6-8-18-14)9-11-3-4-13(17)20-15(11)16/h3-6,8-9H,7H2,1-2H3 |
| Standard InCHIKey | OLOOJGVNMBJLLR-UHFFFAOYSA-N |
| External Identifiers | ChEMBL [CHEMBL453805]; PubChem [10212]; |
| Reference of Component-Ingredient Pair | 23019888 |
Occurrence of the ingredient across TCM components
| Component ID | Latin Name | Pinyin Name | Chinese Name |
|---|---|---|---|
| TCMH1165 | Murraya paniculata | Jiu Li Xiang | 九里香 |
| TCMH147 | Glehnia littoralis | Bei Sha Shen | 北沙参 |
| TCMH148 | Glehnia littoralis | Bei Sha Shen Liu Jin Gao | 北沙参流浸膏 |
| TCMH1499 | Changium smyrnioides | Ming Dang Shen | 明党参 |
| TCMH1656 | Angelica decursiva | Qian Hu | 前胡 |
| TCMH1665 | Notopterygium incisum | Qiang Huo | 羌活 |
| TCMH1856 | Gardenia jasminoides | Shan Zhi | 山栀 |
| TCMH1866 | Cnidium monnieri | She Chuang Zi | 蛇床子 |
| TCMH1872 | Cnidium monnieri | She Ma Zi | 蛇麻子 |
| TCMH2281 | Citrus medica | Xiang Yuan | 香橼 |
Showing 1 to 10 of 29 entries
Ingredient ID: TCMC1535
Formula: C6H14O6
Ingredient ID: TCMC1535
| Common Name | Mannitol |
| IUPAC Name | (2R,3R,4R,5R)-hexane-1,2,3,4,5,6-hexol |
| Canonical SMILES | OC[C@H]([C@H]([C@@H]([C@@H](CO)O)O)O)O |
| Standard InCHI | InChI=1S/C6H14O6/c7-1-3(9)5(11)6(12)4(10)2-8/h3-12H,1-2H2/t3-,4-,5-,6-/m1/s1 |
| Standard InCHIKey | FBPFZTCFMRRESA-KVTDHHQDSA-N |
| External Identifiers | ChEMBL [CHEMBL689]; PubChem [6251]; |
| Reference of Component-Ingredient Pair | 29968805 |
Occurrence of the ingredient across TCM components
| Component ID | Latin Name | Pinyin Name | Chinese Name |
|---|---|---|---|
| TCMH1008 | Pogostemon cablin | Huo Xiang | 藿香 |
| TCMH1009 | Pogostemon cablin | Huo Xiang Ye | 藿香叶 |
| TCMH1033 | Centella asiatica | Ji Xue Cao | 积雪草 |
| TCMH1111 | Polygala glomerata | Jin Niu Cao | 金牛草 |
| TCMH1121 | Cardiospermum halicacabum | Jin Si Ku Lian | 金丝苦楝 |
| TCMH1155 | Allium tuberosum | Jiu Cai | 韭菜 |
| TCMH1176 | Allium tuberosum | Jiu Zi | 韭子 |
| TCMH1197 | Selaginella tamariscina | Juan Bai | 卷柏 |
| TCMH1226 | Laminaria japonica | Kun Bu | 昆布 |
| TCMH1285 | Orobanche coerulescens | Lie Dang | 列当 |
Showing 1 to 10 of 63 entries
Ingredient ID: TCMC1404
Formula: C13H10O5
Ingredient ID: TCMC1404
| Common Name | Isopimpinellin |
| IUPAC Name | 4,9-dimethoxyfuro[3,2-g]chromen-7-one |
| Canonical SMILES | COc1c2ccc(=O)oc2c(c2c1cco2)OC |
| Standard InCHI | InChI=1S/C13H10O5/c1-15-10-7-3-4-9(14)18-12(7)13(16-2)11-8(10)5-6-17-11/h3-6H,1-2H3 |
| Standard InCHIKey | DFMAXQKDIGCMTL-UHFFFAOYSA-N |
| External Identifiers | ChEMBL [CHEMBL140796]; PubChem [68079]; |
| Reference of Component-Ingredient Pair | 22407843 |
Occurrence of the ingredient across TCM components
| Component ID | Latin Name | Pinyin Name | Chinese Name |
|---|---|---|---|
| TCMH1245 | Stellera chamaejasme | Lang Du | 狼毒 |
| 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 |
| TCMH1656 | Angelica decursiva | Qian Hu | 前胡 |
| TCMH1782 | Ruta graveolens | San Ya Ku | 三桠苦 |
| TCMH1866 | Cnidium monnieri | She Chuang Zi | 蛇床子 |
| TCMH1872 | Cnidium monnieri | She Ma Zi | 蛇麻子 |
Showing 1 to 10 of 22 entries
Ingredient ID: TCMC1395
Formula: C16H14O4
Ingredient ID: TCMC1395
| Common Name | Isoimperatorin |
| IUPAC Name | 4-(3-methylbut-2-enoxy)furo[3,2-g]chromen-7-one |
| Canonical SMILES | CC(=CCOc1c2ccoc2cc2c1ccc(=O)o2)C |
| Standard InCHI | InChI=1S/C16H14O4/c1-10(2)5-7-19-16-11-3-4-15(17)20-14(11)9-13-12(16)6-8-18-13/h3-6,8-9H,7H2,1-2H3 |
| Standard InCHIKey | IGWDEVSBEKYORK-UHFFFAOYSA-N |
| External Identifiers | ChEMBL [CHEMBL448060]; PubChem [68081]; |
| Reference of Component-Ingredient Pair | 20082250 |
Occurrence of the ingredient across TCM components
| Component ID | Latin Name | Pinyin Name | Chinese Name |
|---|---|---|---|
| TCMH1179 | Citri exocarpium rubrum | Ju Hong | 橘红 |
| TCMH1437 | Rhododendron dauricum | Man Shan Hong | 满山红 |
| TCMH147 | Glehnia littoralis | Bei Sha Shen | 北沙参 |
| TCMH148 | Glehnia littoralis | Bei Sha Shen Liu Jin Gao | 北沙参流浸膏 |
| TCMH1499 | Changium smyrnioides | Ming Dang Shen | 明党参 |
| TCMH1665 | Notopterygium incisum | Qiang Huo | 羌活 |
| TCMH1782 | Ruta graveolens | San Ya Ku | 三桠苦 |
| TCMH1856 | Gardenia jasminoides | Shan Zhi | 山栀 |
| TCMH2281 | Citrus medica | Xiang Yuan | 香橼 |
| TCMH2282 | Citrus medica | Xiang Yuan Pi | 香橼皮 |
Showing 1 to 10 of 22 entries
Ingredient ID: TCMC1102
Formula: C14H6O8
Ingredient ID: TCMC1102
| Common Name | Ellagic Acid |
| IUPAC Name | n.a. |
| Canonical SMILES | Oc1cc2c(=O)oc3c4c2c(c1O)oc(=O)c4cc(c3O)O |
| Standard InCHI | InChI=1S/C14H6O8/c15-5-1-3-7-8-4(14(20)22-11(7)9(5)17)2-6(16)10(18)12(8)21-13(3)19/h1-2,15-18H |
| Standard InCHIKey | AFSDNFLWKVMVRB-UHFFFAOYSA-N |
| External Identifiers | ChEMBL [CHEMBL6246]; PubChem [5281855]; |
| Reference of Component-Ingredient Pair | 28153595 |
Occurrence of the ingredient across TCM components
| Component ID | Latin Name | Pinyin Name | Chinese Name |
|---|---|---|---|
| TCMH1033 | Centella asiatica | Ji Xue Cao | 积雪草 |
| TCMH1121 | Cardiospermum halicacabum | Jin Si Ku Lian | 金丝苦楝 |
| TCMH1132 | Radix rosae laevigatae | Jin Ying Gen | 金樱根 |
| TCMH1133 | Rosa laevigata | Jin Ying Zi | 金樱子 |
| TCMH1134 | Rosa laevigata | Jin Ying Zi Rou | 金樱子肉 |
| TCMH1135 | Rosa laevigata | Jin Ying Zi Ti Qu Ye | 金樱子提取液 |
| TCMH1139 | Radix euphorbiae pekinensis | Jing Da Ji | 京大戟 |
| TCMH1165 | Murraya paniculata | Jiu Li Xiang | 九里香 |
| TCMH120 | Atractylodes macrocephala | Bai Zhu | 白术 |
| TCMH1247 | Geranium wilfordii | Lao Guan Cao | 老鹳草 |
Showing 1 to 10 of 64 entries
Properties
| Ingredient ID | Formulae | Name | MW | AlogP | MlogP | XlogP | # HBA | # HBD | PSA | # Rotatable Bond | # Ring | # Heacy Atom | Lipinski RO5 Violation |
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| TCMC1102 | C14H6O8 | Ellagic Acid | 302.01 | -2.0234 | 2.12 | -0.046 | 2 | 4 | 133.52 | 4 | 4 | 22 | 0 |
| TCMC1395 | C16H14O4 | Isoimperatorin | 270.09 | 1.5296 | 2.78 | 2.891 | 1 | 0 | 48.67 | 5 | 3 | 20 | 0 |
| TCMC1404 | C13H10O5 | Isopimpinellin | 246.05 | 0.0123 | 2.34 | 1.246 | 1 | 0 | 57.9 | 4 | 3 | 18 | 0 |
| TCMC1535 | C6H14O6 | Mannitol | 182.08 | -2.9402 | 1.46 | -3.896 | 6 | 6 | 121.38 | 11 | 0 | 12 | 1 |
| TCMC1858 | C16H14O4 | Pentosalen | 270.09 | 1.5296 | 2.78 | 2.891 | 1 | 0 | 48.67 | 5 | 3 | 20 | 0 |
| TCMC1866 | C17H16O5 | Phellopterin | 300.1 | 1.4778 | 2.78 | 2.447 | 1 | 0 | 57.9 | 7 | 3 | 22 | 0 |
| TCMC1961 | C11H6O3 | Psoralen | 186.03 | 0.1159 | 2.34 | 2.134 | 1 | 0 | 39.44 | 0 | 3 | 14 | 0 |
| TCMC2016 | C17H20N4O6 | Riboflavin | 376.14 | -2.2465 | 2.23 | 0.067 | 10 | 5 | 158.54 | 12 | 3 | 27 | 0 |
| TCMC2158 | C12H17N4OS | Thiamine | 265.11 | -2.3748 | 2.12 | 0.641 | 4 | 3 | 100.59 | 7 | 2 | 18 | 0 |
| TCMC2159 | C12H17N4OS.ClH | Thiamine Chloride | 265.11 | -2.3748 | 2.12 | 0.641 | 4 | 3 | 100.59 | 7 | 2 | 18 | 0 |
Showing 1 to 10 of 24 entries
Download Data
All data can be downloaded by:→ Selecting data type in the below download table
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