Description of the Component
Component ID |
TCMH498 |
Latin Name |
Benincasa hispida |
English Name |
Chinese waxgourd peel |
Chinese Pinyin Name |
Dong Gua Pi |
中文名 |
冬瓜皮 |
TCM Properties |
Sweet,slightly cold |
TCM Meridians |
Lung,small intestine |
Therapeutic Class English |
For promoting diuresis and penetrating dampness |
Therapeutic Class Chinese |
利水渗湿 |
Functions |
promote diuresis relieve edema, clear summer-heat |
Toxicity |
NA |
Geo-authentic habitats (道地产区) |
NA |
Reference |
Chinese Pharmacopoeia (2015) |
Barcode ID |
ITSAJ4250-14 |
Barcode Source |
BOLDSYSTEMS |
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 |
| TCMT11 | HIF1A | Hypoxia-inducible factor 1 alpha | Transcription factor | Q16665 |
| TCMT114 | CNR2 | Cannabinoid CB2 receptor | GPCR | P34972 |
| TCMT115 | CNR1 | Cannabinoid CB1 receptor | GPCR | P21554 |
| TCMT126 | TERT | Telomerase reverse transcriptase | Transferase | O14746 |
| TCMT13 | APEX1 | DNA-(apurinic or apyrimidinic site) lyase | Lyase | P27695 |
| TCMT130 | ALOX5 | Arachidonate 5-lipoxygenase | Oxidoreductase | P09917 |
| TCMT131 | ACHE | Acetylcholinesterase | Hydrolase | P22303 |
| TCMT132 | BCHE | Butyrylcholinesterase | Hydrolase | P06276 |
| TCMT133 | CA1 | Carbonic anhydrase I | Lyase | P00915 |
Showing 1 to 10 of 74 entries
Targeted Pathogenic Microbes by the Ingredient of Component
| Target ID | Target Name |
|---|---|
| TCMT1092 | Fatty acid synthase |
| TCMT1093 | Enoyl-acyl-carrier protein reductase |
| TCMT1094 | 3-oxoacyl-acyl-carrier protein reductase |
| TCMT1099 | Neuraminidase |
| TCMT1104 | Sortase |
| TCMT1108 | Integrase |
| TCMT1136 | Neuraminidase |
| TCMT1176 | Streptococcus pneumoniae |
| TCMT1178 | Actinomyces viscosus |
| TCMT1183 | Candida albicans SC5314 |
Showing 1 to 10 of 33 entries
Ingredient Structrues
Ingredient ID: TCMC995
Formula: C35H60O6
Ingredient ID: TCMC995
| Common Name | Daucosterol |
| IUPAC Name | (2R,3R,4S,5S,6R)-2-[[(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-yl]oxy]-6-(hydroxymethyl)oxane-3,4,5-triol |
| 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@@H]1O[C@H](CO)[C@H]([C@@H]([C@H]1O)O)O)C |
| Standard InCHI | InChI=1S/C35H60O6/c1-7-22(20(2)3)9-8-21(4)26-12-13-27-25-11-10-23-18-24(14-16-34(23,5)28(25)15-17-35(26,27)6)40-33-32(39)31(38)30(37)29(19-36)41-33/h10,20-22,24-33,36-39H,7-9,11-19H2,1-6H3/t21-,22-,24+,25+,26-,27+,28+,29-,30-,31+,32-,33-,34+,35-/m1/s1 |
| Standard InCHIKey | NPJICTMALKLTFW-OFUAXYCQSA-N |
| External Identifiers | ChEMBL [CHEMBL506678]; PubChem [5742590]; |
| Reference of Component-Ingredient Pair | 16261518 |
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 |
| TCMH1033 | Centella asiatica | Ji Xue Cao | 积雪草 |
| TCMH1036 | Spatholobus suberectus | Ji Xue Teng | 鸡血藤 |
| TCMH1037 | Spatholobus suberectus | Ji Xue Teng Gan Gao | 鸡血藤干膏 |
| TCMH1038 | Spatholobus suberectus | Ji Xue Teng Gao | 鸡血藤膏 |
| TCMH1078 | Fructus gardeniae preparata | Jiao Shan Zhi | 焦山栀 |
| TCMH108 | Perilla frutescens | Bai Su Zi | 白苏子 |
Showing 1 to 10 of 223 entries
Ingredient ID: TCMC912
Formula: C15H10O4
Ingredient ID: TCMC912
| Common Name | Chrysophanol |
| IUPAC Name | 1,8-dihydroxy-3-methylanthracene-9,10-dione |
| Canonical SMILES | Cc1cc(O)c2c(c1)C(=O)c1c(C2=O)c(O)ccc1 |
| Standard InCHI | InChI=1S/C15H10O4/c1-7-5-9-13(11(17)6-7)15(19)12-8(14(9)18)3-2-4-10(12)16/h2-6,16-17H,1H3 |
| Standard InCHIKey | LQGUBLBATBMXHT-UHFFFAOYSA-N |
| External Identifiers | ChEMBL [CHEMBL41092]; PubChem [10208]; |
| Reference of Component-Ingredient Pair | 29045746 |
Occurrence of the ingredient across TCM components
| Component ID | Latin Name | Pinyin Name | Chinese Name |
|---|---|---|---|
| TCMH1199 | Cassia tora | Jue Ming Zi | 决明子 |
| TCMH130 | Pinellia ternata | Ban Xia | 半夏 |
| TCMH131 | Pinellia ternata | Ban Xia Qu | 半夏曲 |
| TCMH1343 | Aloe vera | Lu Hui | 芦荟 |
| TCMH1490 | Aster tataricus | Mi Zi Wan | 蜜紫菀 |
| TCMH1584 | Achyranthes bidentata | Niu Teng | 牛藤 |
| TCMH1588 | Achyranthes bidentata | Niu Xi | 牛膝 |
| TCMH1589 | Rumex patientia | Niu Xi Xi | 牛西西 |
| TCMH1677 | Pinellia ternata | Qing Ban Xia | 清半夏 |
| TCMH182 | Areca catechu | Bing Lang | 槟榔 |
Showing 1 to 10 of 34 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: TCMC795
Formula: C13H16O10
Ingredient ID: TCMC795
| Common Name | Beta-Glucogallin |
| IUPAC Name | [(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl] 3,4,5-trihydroxybenzoate |
| Canonical SMILES | OC[C@H]1O[C@@H](OC(=O)c2cc(O)c(c(c2)O)O)[C@@H]([C@H]([C@@H]1O)O)O |
| Standard InCHI | InChI=1S/C13H16O10/c14-3-7-9(18)10(19)11(20)13(22-7)23-12(21)4-1-5(15)8(17)6(16)2-4/h1-2,7,9-11,13-20H,3H2/t7-,9-,10+,11-,13+/m1/s1 |
| Standard InCHIKey | GDVRUDXLQBVIKP-HQHREHCSSA-N |
| External Identifiers | ChEMBL [CHEMBL480283]; PubChem [124021]; |
| Reference of Component-Ingredient Pair | 19526787 |
Occurrence of the ingredient across TCM components
| Component ID | Latin Name | Pinyin Name | Chinese Name |
|---|---|---|---|
| TCMH1175 | Cornus officinalis | Jiu Yu Rou | 酒萸肉 |
| TCMH1475 | Glycyrrhiza uralensis | Mi Gan Cao | 蜜甘草 |
| TCMH1525 | Crassostrea gigas | Mu Li | 牡蛎 |
| TCMH1681 | Artemisia carvifolia | Qing Hao | 青蒿 |
| TCMH1682 | Artemisia carvifolia | Qing Hao Zi | 青蒿子 |
| TCMH185 | Phyllanthus niruri | Bing Tang Cao | 冰糖草 |
| TCMH1862 | Cornus officinalis | Shan Zhu Yu | 山茱萸 |
| TCMH1899 | Glycyrrhiza uralensis | Sheng Gan Cao | 生甘草 |
| TCMH1965 | Rheum palmatum | Shu Da Huang | 熟大黄 |
| TCMH2087 | Grangea maderaspatana | Tian Ji Huang | 田基黄 |
Showing 1 to 10 of 25 entries
Ingredient ID: TCMC663
Formula: C15H10O5
Ingredient ID: TCMC663
| Common Name | Aloe-Emodin |
| IUPAC Name | 1,8-dihydroxy-3-(hydroxymethyl)anthracene-9,10-dione |
| Canonical SMILES | OCc1cc(O)c2c(c1)C(=O)c1c(C2=O)c(O)ccc1 |
| Standard InCHI | InChI=1S/C15H10O5/c16-6-7-4-9-13(11(18)5-7)15(20)12-8(14(9)19)2-1-3-10(12)17/h1-5,16-18H,6H2 |
| Standard InCHIKey | YDQWDHRMZQUTBA-UHFFFAOYSA-N |
| External Identifiers | ChEMBL [CHEMBL40275]; PubChem [10207]; |
| Reference of Component-Ingredient Pair | 24854283 |
Occurrence of the ingredient across TCM components
| Component ID | Latin Name | Pinyin Name | Chinese Name |
|---|---|---|---|
| TCMH1199 | Cassia tora | Jue Ming Zi | 决明子 |
| TCMH1343 | Aloe vera | Lu Hui | 芦荟 |
| TCMH1519 | Oroxylum indicum | Mu Hu Die | 木蝴蝶 |
| TCMH1589 | Rumex patientia | Niu Xi Xi | 牛西西 |
| TCMH1965 | Rheum palmatum | Shu Da Huang | 熟大黄 |
| TCMH2087 | Grangea maderaspatana | Tian Ji Huang | 田基黄 |
| TCMH2335 | Hemerocallis fulva | Xuan Cao Gen | 萱草根 |
| TCMH2445 | Cassia angustifolia | Yang Xie | 洋泻 |
| TCMH2505 | Siphonostegia chinensis | Yin Xing Cao | 阴行草 |
| TCMH363 | Rheum officinale | Da Huang | 大黄 |
Showing 1 to 10 of 16 entries
Ingredient ID: TCMC6112
Formula: C32H52O2
Ingredient ID: TCMC6112
| Common Name | Isomultiflorenyl Acetate |
| IUPAC Name | [(3S,4aR,6aS,6bS,8aR,12aR,14bS)-4,4,6a,6b,8a,11,11,14b-octamethyl-1,2,3,4a,5,6,7,8,9,10,12,12a,13,14-tetradecahydropicen-3-yl] acetate |
| Canonical SMILES | CC(=O)O[C@H]1CC[C@]2([C@H](C1(C)C)CCC1=C2CC[C@@]2([C@]1(C)CC[C@@]1([C@H]2CC(C)(C)CC1)C)C)C |
| Standard InCHI | InChI=1S/C32H52O2/c1-21(33)34-26-13-14-30(7)22-12-15-32(9)25-20-27(2,3)16-17-29(25,6)18-19-31(32,8)23(22)10-11-24(30)28(26,4)5/h24-26H,10-20H2,1-9H3/t24-,25+,26-,29+,30+,31+,32-/m0/s1 |
| Standard InCHIKey | IQPSCJJRYFMIOC-JPVUOLCKSA-N |
| External Identifiers | ChEMBL [N/A]; PubChem [14167362]; |
| Reference of Component-Ingredient Pair | N/A |
Occurrence of the ingredient across TCM components
Ingredient ID: TCMC2806
Formula: C13H12O4
Ingredient ID: TCMC2806
| Common Name | 5-Acetonyl-7-Hydroxy-2-Methylchromone |
| IUPAC Name | 7-hydroxy-2-methyl-5-(2-oxopropyl)chromen-4-one |
| Canonical SMILES | CC(=O)Cc1cc(O)cc2c1c(=O)cc(o2)C |
| Standard InCHI | InChI=1S/C13H12O4/c1-7(14)3-9-5-10(15)6-12-13(9)11(16)4-8(2)17-12/h4-6,15H,3H2,1-2H3 |
| Standard InCHIKey | YMCXDPKFRCHLPK-UHFFFAOYSA-N |
| External Identifiers | ChEMBL [CHEMBL457049]; PubChem [5319500]; |
| Reference of Component-Ingredient Pair | 18524594 |
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 |
| TCMH1903 | Zingiber officinale | Sheng Jiang | 生姜 |
| TCMH2087 | Grangea maderaspatana | Tian Ji Huang | 田基黄 |
| TCMH2137 | Pogostemon cablin | Tu Huo Xiang | 土藿香 |
| TCMH363 | Rheum officinale | Da Huang | 大黄 |
| TCMH365 | Rheum officinale | Da Huang Jin Gao | 大黄浸膏 |
| TCMH366 | Rheum officinale | Da Huang Liu Jin Gao | 大黄流浸膏 |
| TCMH498 | Benincasa hispida | Dong Gua Pi | 冬瓜皮 |
| TCMH500 | Benincasa hispida | Dong Gua Zi | 冬瓜子 |
Showing 1 to 10 of 12 entries
Ingredient ID: TCMC2642
Formula: C17H9NO3
Ingredient ID: TCMC2642
| Common Name | Liriodenine |
| IUPAC Name | n.a. |
| Canonical SMILES | O=C1c2ccccc2c2c3c1nccc3cc1c2OCO1 |
| Standard InCHI | InChI=1S/C17H9NO3/c19-16-11-4-2-1-3-10(11)14-13-9(5-6-18-15(13)16)7-12-17(14)21-8-20-12/h1-7H,8H2 |
| Standard InCHIKey | MUMCCPUVOAUBAN-UHFFFAOYSA-N |
| External Identifiers | ChEMBL [CHEMBL37736]; PubChem [10144]; |
| Reference of Component-Ingredient Pair | 21960256 |
Occurrence of the ingredient across TCM components
| Component ID | Latin Name | Pinyin Name | Chinese Name |
|---|---|---|---|
| TCMH1275 | Nelumbo nucifera | Lian Zi | 莲子 |
| TCMH1276 | Nelumbo nucifera | Lian Zi Xin | 莲子心 |
| TCMH1460 | Zanthoxylum nitidum | Mao Liang Mian Zhen | 毛两面针 |
| TCMH1598 | Nelumbo nucifera | Ou | 藕 |
| TCMH1599 | Nelumbo nucifera | Ou Fen | 藕粉 |
| TCMH1601 | Nelumbo nucifera | Ou Pian | 藕片 |
| TCMH204 | Xanthium sibiricum | Cang Er | 苍耳 |
| TCMH205 | Xanthium sibiricum | Cang Er Cao | 苍耳草 |
| TCMH213 | Boschniakia rossica | Cao Cong Rong | 草苁蓉 |
| TCMH249 | Aquilaria agallocha | Chen Xiang | 沉香 |
Showing 1 to 10 of 23 entries
Ingredient ID: TCMC2641
Formula: C21H20O9
Ingredient ID: TCMC2641
| Common Name | Pulmatin |
| IUPAC Name | 1-hydroxy-3-methyl-8-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyanthracene-9,10-dione |
| Canonical SMILES | OC[C@H]1O[C@@H](Oc2cccc3c2C(=O)c2c(C3=O)cc(cc2O)C)[C@@H]([C@H]([C@@H]1O)O)O |
| Standard InCHI | InChI=1S/C21H20O9/c1-8-5-10-14(11(23)6-8)18(26)15-9(16(10)24)3-2-4-12(15)29-21-20(28)19(27)17(25)13(7-22)30-21/h2-6,13,17,19-23,25,27-28H,7H2,1H3/t13-,17-,19+,20-,21-/m1/s1 |
| Standard InCHIKey | WMMOMSNMMDMSRB-JNHRPPPUSA-N |
| External Identifiers | ChEMBL [CHEMBL443804]; PubChem [442731]; |
| Reference of Component-Ingredient Pair | 25768096 |
Occurrence of the ingredient across TCM components
| Component ID | Latin Name | Pinyin Name | Chinese Name |
|---|---|---|---|
| TCMH1589 | Rumex patientia | Niu Xi Xi | 牛西西 |
| TCMH1965 | Rheum palmatum | Shu Da Huang | 熟大黄 |
| TCMH2048 | Rumex acetosa | Suan Mo | 酸模 |
| TCMH2087 | Grangea maderaspatana | Tian Ji Huang | 田基黄 |
| TCMH363 | Rheum officinale | Da Huang | 大黄 |
| TCMH365 | Rheum officinale | Da Huang Jin Gao | 大黄浸膏 |
| TCMH366 | Rheum officinale | Da Huang Liu Jin Gao | 大黄流浸膏 |
| TCMH498 | Benincasa hispida | Dong Gua Pi | 冬瓜皮 |
| TCMH500 | Benincasa hispida | Dong Gua Zi | 冬瓜子 |
| TCMH921 | Polygonum cuspidatum | Hu Zhang | 虎杖 |
Showing 1 to 10 of 10 entries
Ingredient ID: TCMC2486
Formula: C20H24O9
Ingredient ID: TCMC2486
| Common Name | Torachrysone 8-O-Glucoside |
| IUPAC Name | 1-[1-hydroxy-6-methoxy-3-methyl-8-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxynaphthalen-2-yl]ethanone |
| Canonical SMILES | OC[C@H]1O[C@@H](Oc2cc(OC)cc3c2c(O)c(c(c3)C)C(=O)C)[C@@H]([C@H]([C@@H]1O)O)O |
| Standard InCHI | InChI=1S/C20H24O9/c1-8-4-10-5-11(27-3)6-12(15(10)17(24)14(8)9(2)22)28-20-19(26)18(25)16(23)13(7-21)29-20/h4-6,13,16,18-21,23-26H,7H2,1-3H3/t13-,16-,18+,19-,20-/m1/s1 |
| Standard InCHIKey | GHKWPHRULCFTBB-CZNQJBLBSA-N |
| External Identifiers | ChEMBL [CHEMBL109330]; PubChem [11972479]; |
| Reference of Component-Ingredient Pair | 19938497 |
Occurrence of the ingredient across TCM components
| Component ID | Latin Name | Pinyin Name | Chinese Name |
|---|---|---|---|
| TCMH1475 | Glycyrrhiza uralensis | Mi Gan Cao | 蜜甘草 |
| TCMH1899 | Glycyrrhiza uralensis | Sheng Gan Cao | 生甘草 |
| TCMH1965 | Rheum palmatum | Shu Da Huang | 熟大黄 |
| TCMH2087 | Grangea maderaspatana | Tian Ji Huang | 田基黄 |
| TCMH2135 | Glycyrrhiza uralensis | Tu Gan Cao | 土甘草 |
| TCMH363 | Rheum officinale | Da Huang | 大黄 |
| TCMH365 | Rheum officinale | Da Huang Jin Gao | 大黄浸膏 |
| TCMH366 | Rheum officinale | Da Huang Liu Jin Gao | 大黄流浸膏 |
| TCMH498 | Benincasa hispida | Dong Gua Pi | 冬瓜皮 |
| TCMH500 | Benincasa hispida | Dong Gua Zi | 冬瓜子 |
Showing 1 to 10 of 20 entries
Ingredient ID: TCMC2344
Formula: C18H18O2
Ingredient ID: TCMC2344
| Common Name | Isomagnolol |
| IUPAC Name | 4-prop-2-enyl-2-(4-prop-2-enylphenoxy)phenol |
| Canonical SMILES | C=CCc1ccc(cc1)Oc1cc(CC=C)ccc1O |
| Standard InCHI | InChI=1S/C18H18O2/c1-3-5-14-7-10-16(11-8-14)20-18-13-15(6-4-2)9-12-17(18)19/h3-4,7-13,19H,1-2,5-6H2 |
| Standard InCHIKey | ROPDWYIWHWKVLI-UHFFFAOYSA-N |
| External Identifiers | ChEMBL [CHEMBL183320]; PubChem [159137]; |
| Reference of Component-Ingredient Pair | N/A |
Occurrence of the ingredient across TCM components
Ingredient ID: TCMC2324
Formula: C10H16
Ingredient ID: TCMC2324
| Common Name | Limonene |
| IUPAC Name | (4R)-1-methyl-4-prop-1-en-2-ylcyclohexene |
| Canonical SMILES | CC1=CC[C@@H](CC1)C(=C)C |
| Standard InCHI | InChI=1S/C10H16/c1-8(2)10-6-4-9(3)5-7-10/h4,10H,1,5-7H2,2-3H3/t10-/m0/s1 |
| Standard InCHIKey | XMGQYMWWDOXHJM-JTQLQIEISA-N |
| External Identifiers | ChEMBL [CHEMBL449062]; PubChem [440917]; |
| Reference of Component-Ingredient Pair | 22945026 |
Occurrence of the ingredient across TCM components
| Component ID | Latin Name | Pinyin Name | Chinese Name |
|---|---|---|---|
| TCMH1000 | Foeniculum vulgare | Hui Xiang | 茴香 |
| TCMH1063 | Curcuma longa | Jiang Huang | 姜黄 |
| TCMH108 | Perilla frutescens | Bai Su Zi | 白苏子 |
| TCMH1141 | Schizonepeta tenuifolia | Jing Jie | 荆芥 |
| TCMH1142 | Schizonepetae spica | Jing Jie Sui | 荆芥穗 |
| TCMH1165 | Murraya paniculata | Jiu Li Xiang | 九里香 |
| TCMH1178 | Citrus reticulata | Ju He | 橘核 |
| TCMH1184 | Citrus reticulata | Ju Pi | 橘皮 |
| TCMH1185 | Lycium chinense | Gou Qi | 枸杞 |
| TCMH1186 | Lycium chinense | Gou Qi Zi | 枸杞子 |
Showing 1 to 10 of 147 entries
Ingredient ID: TCMC2304
Formula: C27H24O18
Ingredient ID: TCMC2304
| Common Name | 1,2,6-Tri-O-Galloyl-Beta-D-Glucose |
| IUPAC Name | [(2R,3S,4S,5R,6S)-3,4-dihydroxy-5,6-bis[(3,4,5-trihydroxybenzoyl)oxy]oxan-2-yl]methyl 3,4,5-trihydroxybenzoate |
| Canonical SMILES | O[C@@H]1[C@@H](COC(=O)c2cc(O)c(c(c2)O)O)O[C@H]([C@@H]([C@H]1O)OC(=O)c1cc(O)c(c(c1)O)O)OC(=O)c1cc(O)c(c(c1)O)O |
| Standard InCHI | InChI=1S/C27H24O18/c28-11-1-8(2-12(29)18(11)34)24(39)42-7-17-21(37)22(38)23(44-25(40)9-3-13(30)19(35)14(31)4-9)27(43-17)45-26(41)10-5-15(32)20(36)16(33)6-10/h1-6,17,21-23,27-38H,7H2/t17-,21-,22+,23-,27+/m1/s1 |
| Standard InCHIKey | LLENXGNWVNSBQG-VFTFQOQOSA-N |
| External Identifiers | ChEMBL [CHEMBL447974]; PubChem [440308]; |
| Reference of Component-Ingredient Pair | 22506400 |
Occurrence of the ingredient across TCM components
| Component ID | Latin Name | Pinyin Name | Chinese Name |
|---|---|---|---|
| TCMH1121 | Cardiospermum halicacabum | Jin Si Ku Lian | 金丝苦楝 |
| TCMH1475 | Glycyrrhiza uralensis | Mi Gan Cao | 蜜甘草 |
| TCMH1899 | Glycyrrhiza uralensis | Sheng Gan Cao | 生甘草 |
| TCMH1943 | Punica granatum | Shi Liu | 石榴 |
| TCMH1944 | Punica granatum | Shi Liu Pi | 石榴皮 |
| TCMH1945 | Punica granatum | Shi Liu Zi | 石榴子 |
| TCMH2050 | Punica granatum | Suan Shi Liu | 酸石榴 |
| TCMH2087 | Grangea maderaspatana | Tian Ji Huang | 田基黄 |
| TCMH2135 | Glycyrrhiza uralensis | Tu Gan Cao | 土甘草 |
| TCMH363 | Rheum officinale | Da Huang | 大黄 |
Showing 1 to 10 of 25 entries
Ingredient ID: TCMC2190
Formula: C7H7NO2
Ingredient ID: TCMC2190
| Common Name | Trigonelline |
| IUPAC Name | 1-methylpyridin-1-ium-3-carboxylate |
| Canonical SMILES | C[n+]1cccc(c1)C(=O)[O-] |
| Standard InCHI | InChI=1S/C7H7NO2/c1-8-4-2-3-6(5-8)7(9)10/h2-5H,1H3 |
| Standard InCHIKey | WWNNZCOKKKDOPX-UHFFFAOYSA-N |
| External Identifiers | ChEMBL [CHEMBL350675]; PubChem [5570]; |
| Reference of Component-Ingredient Pair | 20567778 |
Occurrence of the ingredient across TCM components
| Component ID | Latin Name | Pinyin Name | Chinese Name |
|---|---|---|---|
| TCMH1005 | Cannabis sativa | Huo Ma Ren | 火麻仁 |
| TCMH130 | Pinellia ternata | Ban Xia | 半夏 |
| TCMH131 | Pinellia ternata | Ban Xia Qu | 半夏曲 |
| TCMH1409 | Cannabis sativa | Ma Ren | 麻仁 |
| 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 |
| TCMH1539 | Cucurbita moschata | Nan Gua | 南瓜 |
| TCMH1669 | Radix solani melongenae | Qie Gen | 茄根 |
| TCMH1677 | Pinellia ternata | Qing Ban Xia | 清半夏 |
| TCMH1734 | Homo sapiens | Ren Zhong Bai | 人中白 |
Showing 1 to 10 of 29 entries
Ingredient ID: TCMC2120
Formula: C17H24O9
Ingredient ID: TCMC2120
| Common Name | Syringin |
| IUPAC Name | (2R,3S,4S,5R,6S)-2-(hydroxymethyl)-6-[4-[(E)-3-hydroxyprop-1-enyl]-2,6-dimethoxyphenoxy]oxane-3,4,5-triol |
| Canonical SMILES | OC/C=C/c1cc(OC)c(c(c1)OC)O[C@@H]1O[C@H](CO)[C@H]([C@@H]([C@H]1O)O)O |
| Standard InCHI | InChI=1S/C17H24O9/c1-23-10-6-9(4-3-5-18)7-11(24-2)16(10)26-17-15(22)14(21)13(20)12(8-19)25-17/h3-4,6-7,12-15,17-22H,5,8H2,1-2H3/b4-3+/t12-,13-,14+,15-,17+/m1/s1 |
| Standard InCHIKey | QJVXKWHHAMZTBY-GCPOEHJPSA-N |
| External Identifiers | ChEMBL [CHEMBL250872]; PubChem [5316860]; |
| Reference of Component-Ingredient Pair | N/A |
Occurrence of the ingredient across TCM components
| Component ID | Latin Name | Pinyin Name | Chinese Name |
|---|---|---|---|
| TCMH1039 | Kummerowia striata | Ji Yan Cao | 鸡眼草 |
| TCMH1127 | Lonicera japonica | Jin Yin Hua | 金银花 |
| TCMH1128 | Lonicera japonica | Jin Yin Hua Ti Qu Ye | 金银花提取液 |
| TCMH1154 | Ilex rotunda | Jiu Bi Ying | 救必应 |
| TCMH138 | Syringa reticulata | Bao Ma Zi Pi | 暴马子皮 |
| TCMH1452 | Gerbera piloselloides | Mao Da Ding Cao | 毛大丁草 |
| TCMH147 | Glehnia littoralis | Bei Sha Shen | 北沙参 |
| TCMH148 | Glehnia littoralis | Bei Sha Shen Liu Jin Gao | 北沙参流浸膏 |
| TCMH160 | Piper cubeba | Bi Cheng Qie | 毕澄茄 |
| TCMH1656 | Angelica decursiva | Qian Hu | 前胡 |
Showing 1 to 10 of 42 entries
Ingredient ID: TCMC2105
Formula: C18H36O2
Ingredient ID: TCMC2105
| Common Name | Stearic Acid |
| IUPAC Name | octadecanoic acid |
| Canonical SMILES | CCCCCCCCCCCCCCCCCC(=O)O |
| Standard InCHI | InChI=1S/C18H36O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20/h2-17H2,1H3,(H,19,20) |
| Standard InCHIKey | QIQXTHQIDYTFRH-UHFFFAOYSA-N |
| External Identifiers | ChEMBL [CHEMBL46403]; PubChem [5281]; |
| Reference of Component-Ingredient Pair | 29968805 |
Occurrence of the ingredient across TCM components
| Component ID | Latin Name | Pinyin Name | Chinese Name |
|---|---|---|---|
| TCMH1005 | Cannabis sativa | Huo Ma Ren | 火麻仁 |
| 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 |
| TCMH114 | Platycladus orientalis | Bai Ye | 柏叶 |
| TCMH1142 | Schizonepetae spica | Jing Jie Sui | 荆芥穗 |
Showing 1 to 10 of 176 entries
Ingredient ID: TCMC2031
Formula: C27H30O16
Ingredient ID: TCMC2031
| Common Name | Rutin |
| IUPAC Name | 2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-3-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-[[(2R,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxymethyl]oxan-2-yl]oxychromen-4-one |
| Canonical SMILES | Oc1cc(O)c2c(c1)oc(c(c2=O)O[C@@H]1O[C@H](CO[C@@H]2O[C@@H](C)[C@@H]([C@H]([C@H]2O)O)O)[C@H]([C@@H]([C@H]1O)O)O)c1ccc(c(c1)O)O |
| Standard InCHI | InChI=1S/C27H30O16/c1-8-17(32)20(35)22(37)26(40-8)39-7-15-18(33)21(36)23(38)27(42-15)43-25-19(34)16-13(31)5-10(28)6-14(16)41-24(25)9-2-3-11(29)12(30)4-9/h2-6,8,15,17-18,20-23,26-33,35-38H,7H2,1H3/t8-,15+,17-,18+,20+,21-,22+,23+,26+,27-/m0/s1 |
| Standard InCHIKey | IKGXIBQEEMLURG-NVPNHPEKSA-N |
| External Identifiers | ChEMBL [CHEMBL226335]; PubChem [5280805]; |
| Reference of Component-Ingredient Pair | 26408079 |
Occurrence of the ingredient across TCM components
| Component ID | Latin Name | Pinyin Name | Chinese Name |
|---|---|---|---|
| TCMH1000 | Foeniculum vulgare | Hui Xiang | 茴香 |
| TCMH101 | Chelidonium majus | Bai Qu Cai | 白屈菜 |
| TCMH1032 | Impatiens balsamina | Ji Xing Zi | 急性子 |
| TCMH1033 | Centella asiatica | Ji Xue Cao | 积雪草 |
| TCMH1096 | Inula japonica | Jin Fei Cao | 金沸草 |
| TCMH1099 | Gymnema sylvestre | Jin Gang Teng | 金刚藤 |
| TCMH1100 | Gymnema sylvestre | Jin Gang Tou | 金刚头 |
| TCMH1105 | Trollius chinensis | Jin Lian Hua | 金莲花 |
| TCMH1117 | Rhizoma fagopyri cymosi | Jin Qiao Mai | 金荞麦 |
| TCMH1127 | Lonicera japonica | Jin Yin Hua | 金银花 |
Showing 1 to 10 of 215 entries
Ingredient ID: TCMC2014
Formula: C15H8O6
Ingredient ID: TCMC2014
| Common Name | Rhein |
| IUPAC Name | 4,5-dihydroxy-9,10-dioxoanthracene-2-carboxylic acid |
| Canonical SMILES | Oc1cc(cc2c1C(=O)c1c(C2=O)cccc1O)C(=O)O |
| Standard InCHI | InChI=1S/C15H8O6/c16-9-3-1-2-7-11(9)14(19)12-8(13(7)18)4-6(15(20)21)5-10(12)17/h1-5,16-17H,(H,20,21) |
| Standard InCHIKey | FCDLCPWAQCPTKC-UHFFFAOYSA-N |
| External Identifiers | ChEMBL [CHEMBL418068]; PubChem [10168]; |
| Reference of Component-Ingredient Pair | 26185519 |
Occurrence of the ingredient across TCM components
| Component ID | Latin Name | Pinyin Name | Chinese Name |
|---|---|---|---|
| TCMH1199 | Cassia tora | Jue Ming Zi | 决明子 |
| TCMH1343 | Aloe vera | Lu Hui | 芦荟 |
| TCMH1782 | Ruta graveolens | San Ya Ku | 三桠苦 |
| TCMH1965 | Rheum palmatum | Shu Da Huang | 熟大黄 |
| TCMH2087 | Grangea maderaspatana | Tian Ji Huang | 田基黄 |
| TCMH2244 | Prunella vulgaris | Xia Ku Cao | 夏枯草 |
| TCMH2335 | Hemerocallis fulva | Xuan Cao Gen | 萱草根 |
| TCMH2562 | Ruta graveolens | Yun Xiang Jin Gao | 芸香浸膏 |
| TCMH363 | Rheum officinale | Da Huang | 大黄 |
| TCMH365 | Rheum officinale | Da Huang Jin Gao | 大黄浸膏 |
Showing 1 to 10 of 18 entries
Ingredient ID: TCMC1889
Formula: C16H12O5
Ingredient ID: TCMC1889
| Common Name | Physcion |
| IUPAC Name | 1,8-dihydroxy-3-methoxy-6-methylanthracene-9,10-dione |
| Canonical SMILES | COc1cc(O)c2c(c1)C(=O)c1c(C2=O)c(O)cc(c1)C |
| Standard InCHI | InChI=1S/C16H12O5/c1-7-3-9-13(11(17)4-7)16(20)14-10(15(9)19)5-8(21-2)6-12(14)18/h3-6,17-18H,1-2H3 |
| Standard InCHIKey | FFWOKTFYGVYKIR-UHFFFAOYSA-N |
| External Identifiers | ChEMBL [CHEMBL42624]; PubChem [10639]; |
| Reference of Component-Ingredient Pair | 29667811 |
Occurrence of the ingredient across TCM components
| Component ID | Latin Name | Pinyin Name | Chinese Name |
|---|---|---|---|
| TCMH1199 | Cassia tora | Jue Ming Zi | 决明子 |
| TCMH1490 | Aster tataricus | Mi Zi Wan | 蜜紫菀 |
| TCMH1589 | Rumex patientia | Niu Xi Xi | 牛西西 |
| TCMH1657 | Radix moghaniae philippinensis | Qian Jin Ba | 千斤拔 |
| TCMH182 | Areca catechu | Bing Lang | 槟榔 |
| TCMH1920 | Acorus tatarinowii | Shi Chang Pu | 石菖蒲 |
| TCMH1922 | Acorus tatarinowii | Shi Chang Pu Jin Gao | 石菖蒲浸膏 |
| TCMH1923 | Acorus tatarinowii | Shi Chang Pu Qing Gao | 石菖蒲清膏 |
| TCMH1965 | Rheum palmatum | Shu Da Huang | 熟大黄 |
| TCMH2048 | Rumex acetosa | Suan Mo | 酸模 |
Showing 1 to 10 of 36 entries
Ingredient ID: TCMC1832
Formula: C16H30O2
Ingredient ID: TCMC1832
| Common Name | Palmitoleic Acid |
| IUPAC Name | (Z)-hexadec-9-enoic acid |
| Canonical SMILES | CCCCCC/C=CCCCCCCCC(=O)O |
| Standard InCHI | InChI=1S/C16H30O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16(17)18/h7-8H,2-6,9-15H2,1H3,(H,17,18)/b8-7- |
| Standard InCHIKey | SECPZKHBENQXJG-FPLPWBNLSA-N |
| External Identifiers | ChEMBL [CHEMBL453509]; PubChem [445638]; |
| Reference of Component-Ingredient Pair | 29968805 |
Occurrence of the ingredient across TCM components
| Component ID | Latin Name | Pinyin Name | Chinese Name |
|---|---|---|---|
| TCMH1005 | Cannabis sativa | Huo Ma Ren | 火麻仁 |
| TCMH1063 | Curcuma longa | Jiang Huang | 姜黄 |
| TCMH1175 | Cornus officinalis | Jiu Yu Rou | 酒萸肉 |
| TCMH1178 | Citrus reticulata | Ju He | 橘核 |
| TCMH1184 | Citrus reticulata | Ju Pi | 橘皮 |
| TCMH1211 | Melia azedarach | Ku Lian Pi | 苦楝皮 |
| TCMH1212 | Melia azedarach | Ku Lian Zi | 苦楝子 |
| TCMH1239 | Raphanus sativus | Lai Fu | 莱菔 |
| TCMH1240 | Raphanus sativus | Lai Fu Zi | 莱菔子 |
| TCMH1343 | Aloe vera | Lu Hui | 芦荟 |
Showing 1 to 10 of 80 entries
Ingredient ID: TCMC1830
Formula: C16H32O2
Ingredient ID: TCMC1830
| Common Name | Palmitic Acid |
| IUPAC Name | hexadecanoic acid |
| Canonical SMILES | CCCCCCCCCCCCCCCC(=O)O |
| Standard InCHI | InChI=1S/C16H32O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16(17)18/h2-15H2,1H3,(H,17,18) |
| Standard InCHIKey | IPCSVZSSVZVIGE-UHFFFAOYSA-N |
| External Identifiers | ChEMBL [CHEMBL82293]; PubChem [985]; |
| Reference of Component-Ingredient Pair | 29968805 |
Occurrence of the ingredient across TCM components
| Component ID | Latin Name | Pinyin Name | Chinese Name |
|---|---|---|---|
| TCMH1000 | Foeniculum vulgare | Hui Xiang | 茴香 |
| TCMH1005 | Cannabis sativa | Huo Ma Ren | 火麻仁 |
| TCMH1008 | Pogostemon cablin | Huo Xiang | 藿香 |
| TCMH1009 | Pogostemon cablin | Huo Xiang Ye | 藿香叶 |
| TCMH1022 | Celosia cristata | Ji Guan Hua | 鸡冠花 |
| TCMH1029 | Paederia scandens | Ji Shi Teng | 鸡矢藤 |
| TCMH1033 | Centella asiatica | Ji Xue Cao | 积雪草 |
| TCMH1063 | Curcuma longa | Jiang Huang | 姜黄 |
| TCMH108 | Perilla frutescens | Bai Su Zi | 白苏子 |
| TCMH1105 | Trollius chinensis | Jin Lian Hua | 金莲花 |
Showing 1 to 10 of 274 entries
Ingredient ID: 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: TCMC1741
Formula: C6H5NO2
Ingredient ID: TCMC1741
| Common Name | Niacin |
| IUPAC Name | pyridine-3-carboxylic acid |
| Canonical SMILES | OC(=O)c1cccnc1 |
| Standard InCHI | InChI=1S/C6H5NO2/c8-6(9)5-2-1-3-7-4-5/h1-4H,(H,8,9) |
| Standard InCHIKey | PVNIIMVLHYAWGP-UHFFFAOYSA-N |
| External Identifiers | ChEMBL [CHEMBL573]; PubChem [938]; |
| Reference of Component-Ingredient Pair | 28437613 |
Occurrence of the ingredient across TCM components
| Component ID | Latin Name | Pinyin Name | Chinese Name |
|---|---|---|---|
| TCMH1185 | Lycium chinense | Gou Qi | 枸杞 |
| TCMH1186 | Lycium chinense | Gou Qi Zi | 枸杞子 |
| TCMH1195 | Oleum aurantii | Ju Zi Xiang Jing | 橘子香精 |
| TCMH1211 | Melia azedarach | Ku Lian Pi | 苦楝皮 |
| TCMH1212 | Melia azedarach | Ku Lian Zi | 苦楝子 |
| TCMH1263 | Cyprinus carpio | Li Yu | 鲤鱼 |
| TCMH1316 | Dens draconis | Long Chi | 龙齿 |
| TCMH1381 | Folium camelliae sinensis | Lv Cha | 绿茶 |
| TCMH1420 | Oleum sesami | Ma You | 麻油 |
| TCMH1430 | Hordeum vulgare | Mai Ya | 麦芽 |
Showing 1 to 10 of 56 entries
Ingredient ID: TCMC1639
Formula: C18H17NO2
Ingredient ID: TCMC1639
| Common Name | n.a. |
| IUPAC Name | n.a. |
| Canonical SMILES | CN1CCc2c3[C@H]1Cc1ccccc1c3c1c(c2)OCO1 |
| Standard InCHI | InChI=1S/C18H17NO2/c1-19-7-6-12-9-15-18(21-10-20-15)17-13-5-3-2-4-11(13)8-14(19)16(12)17/h2-5,9,14H,6-8,10H2,1H3/t14-/m1/s1 |
| Standard InCHIKey | JCTYWRARKVGOBK-CQSZACIVSA-N |
| External Identifiers | ChEMBL [CHEMBL483825]; PubChem [119204]; |
| Reference of Component-Ingredient Pair | 7234425 |
Occurrence of the ingredient across TCM components
| Component ID | Latin Name | Pinyin Name | Chinese Name |
|---|---|---|---|
| TCMH1275 | Nelumbo nucifera | Lian Zi | 莲子 |
| TCMH1276 | Nelumbo nucifera | Lian Zi Xin | 莲子心 |
| TCMH1598 | Nelumbo nucifera | Ou | 藕 |
| TCMH1599 | Nelumbo nucifera | Ou Fen | 藕粉 |
| TCMH1601 | Nelumbo nucifera | Ou Pian | 藕片 |
| TCMH498 | Benincasa hispida | Dong Gua Pi | 冬瓜皮 |
| TCMH500 | Benincasa hispida | Dong Gua Zi | 冬瓜子 |
| TCMH814 | Nelumbo nucifera | He Geng | 荷梗 |
| TCMH825 | Nelumbo nucifera | He Ye | 荷叶 |
Showing 1 to 9 of 9 entries
Ingredient ID: TCMC1611
Formula: C14H28O2
Ingredient ID: TCMC1611
| Common Name | Myristic Acid |
| IUPAC Name | tetradecanoic acid |
| Canonical SMILES | CCCCCCCCCCCCCC(=O)O |
| Standard InCHI | InChI=1S/C14H28O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14(15)16/h2-13H2,1H3,(H,15,16) |
| Standard InCHIKey | TUNFSRHWOTWDNC-UHFFFAOYSA-N |
| External Identifiers | ChEMBL [CHEMBL111077]; PubChem [11005]; |
| Reference of Component-Ingredient Pair | 29968805 |
Occurrence of the ingredient across TCM components
| Component ID | Latin Name | Pinyin Name | Chinese Name |
|---|---|---|---|
| TCMH1005 | Cannabis sativa | Huo Ma Ren | 火麻仁 |
| TCMH1029 | Paederia scandens | Ji Shi Teng | 鸡矢藤 |
| TCMH1063 | Curcuma longa | Jiang Huang | 姜黄 |
| 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 |
| TCMH114 | Platycladus orientalis | Bai Ye | 柏叶 |
| TCMH1142 | Schizonepetae spica | Jing Jie Sui | 荆芥穗 |
| TCMH1175 | Cornus officinalis | Jiu Yu Rou | 酒萸肉 |
| TCMH1178 | Citrus reticulata | Ju He | 橘核 |
Showing 1 to 10 of 123 entries
Ingredient ID: TCMC1579
Formula: C19H20O2
Ingredient ID: TCMC1579
| Common Name | Methylhonokiol |
| IUPAC Name | 2-(4-methoxy-3-prop-2-enylphenyl)-4-prop-2-enylphenol |
| Canonical SMILES | C=CCc1ccc(c(c1)c1ccc(c(c1)CC=C)OC)O |
| Standard InCHI | InChI=1S/C19H20O2/c1-4-6-14-8-10-18(20)17(12-14)15-9-11-19(21-3)16(13-15)7-5-2/h4-5,8-13,20H,1-2,6-7H2,3H3 |
| Standard InCHIKey | OQFHJKZVOALSPV-UHFFFAOYSA-N |
| External Identifiers | ChEMBL [CHEMBL89700]; PubChem [155160]; |
| Reference of Component-Ingredient Pair | 24227209 |
Occurrence of the ingredient across TCM components
Ingredient ID: TCMC1523
Formula: C18H18O2
Ingredient ID: TCMC1523
| Common Name | Magnolol |
| IUPAC Name | 2-(2-hydroxy-5-prop-2-enylphenyl)-4-prop-2-enylphenol |
| Canonical SMILES | C=CCc1ccc(c(c1)c1cc(CC=C)ccc1O)O |
| Standard InCHI | InChI=1S/C18H18O2/c1-3-5-13-7-9-17(19)15(11-13)16-12-14(6-4-2)8-10-18(16)20/h3-4,7-12,19-20H,1-2,5-6H2 |
| Standard InCHIKey | VVOAZFWZEDHOOU-UHFFFAOYSA-N |
| External Identifiers | ChEMBL [CHEMBL180920]; PubChem [72300]; |
| Reference of Component-Ingredient Pair | 21355261 |
Occurrence of the ingredient across TCM components
| Component ID | Latin Name | Pinyin Name | Chinese Name |
|---|---|---|---|
| TCMH1965 | Rheum palmatum | Shu Da Huang | 熟大黄 |
| TCMH2316 | Magnolia liliflora | Xin Yi | 辛夷 |
| TCMH2317 | Magnolia liliflora | Xin Yi Hua | 辛夷花 |
| TCMH2319 | Magnolia liliflora | Xin Yi Hua Jin Gao Fen | 辛夷花浸膏粉 |
| TCMH2320 | Magnolia liliflora | Xin Yi Ren | 辛夷仁 |
| TCMH291 | Cortex magnoliae officinalis | Chuan Pu | 川朴 |
| TCMH363 | Rheum officinale | Da Huang | 大黄 |
| TCMH365 | Rheum officinale | Da Huang Jin Gao | 大黄浸膏 |
| TCMH366 | Rheum officinale | Da Huang Liu Jin Gao | 大黄流浸膏 |
| TCMH447 | Illicium difengpi | Di Feng Pi | 地枫皮 |
Showing 1 to 10 of 14 entries
Ingredient ID: TCMC1496
Formula: C18H30O2
Ingredient ID: TCMC1496
| Common Name | Linolenic Acid |
| IUPAC Name | (9Z,12Z,15Z)-octadeca-9,12,15-trienoic acid |
| Canonical SMILES | CC/C=CC/C=CC/C=CCCCCCCCC(=O)O |
| Standard InCHI | InChI=1S/C18H30O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20/h3-4,6-7,9-10H,2,5,8,11-17H2,1H3,(H,19,20)/b4-3-,7-6-,10-9- |
| Standard InCHIKey | DTOSIQBPPRVQHS-PDBXOOCHSA-N |
| External Identifiers | ChEMBL [CHEMBL8739]; PubChem [5280934]; |
| Reference of Component-Ingredient Pair | 29968805 |
Occurrence of the ingredient across TCM components
| Component ID | Latin Name | Pinyin Name | Chinese Name |
|---|---|---|---|
| TCMH1005 | Cannabis sativa | Huo Ma Ren | 火麻仁 |
| TCMH1063 | Curcuma longa | Jiang Huang | 姜黄 |
| TCMH108 | Perilla frutescens | Bai Su Zi | 白苏子 |
| TCMH1127 | Lonicera japonica | Jin Yin Hua | 金银花 |
| TCMH1128 | Lonicera japonica | Jin Yin Hua Ti Qu Ye | 金银花提取液 |
| TCMH1142 | Schizonepetae spica | Jing Jie Sui | 荆芥穗 |
| TCMH1178 | Citrus reticulata | Ju He | 橘核 |
| TCMH1184 | Citrus reticulata | Ju Pi | 橘皮 |
| TCMH1185 | Lycium chinense | Gou Qi | 枸杞 |
| TCMH1186 | Lycium chinense | Gou Qi Zi | 枸杞子 |
Showing 1 to 10 of 132 entries
Ingredient ID: TCMC1495
Formula: C18H32O2
Ingredient ID: TCMC1495
| Common Name | Linoleic Acid |
| IUPAC Name | (9Z,12Z)-octadeca-9,12-dienoic acid |
| Canonical SMILES | CCCCC/C=CC/C=CCCCCCCCC(=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/h6-7,9-10H,2-5,8,11-17H2,1H3,(H,19,20)/b7-6-,10-9- |
| Standard InCHIKey | OYHQOLUKZRVURQ-HZJYTTRNSA-N |
| External Identifiers | ChEMBL [CHEMBL267476]; PubChem [5280450]; |
| Reference of Component-Ingredient Pair | 29968805 |
Occurrence of the ingredient across TCM components
| Component ID | Latin Name | Pinyin Name | Chinese Name |
|---|---|---|---|
| TCMH1000 | Foeniculum vulgare | Hui Xiang | 茴香 |
| TCMH1005 | Cannabis sativa | Huo Ma Ren | 火麻仁 |
| TCMH1008 | Pogostemon cablin | Huo Xiang | 藿香 |
| TCMH1009 | Pogostemon cablin | Huo Xiang Ye | 藿香叶 |
| TCMH1022 | Celosia cristata | Ji Guan Hua | 鸡冠花 |
| 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 216 entries
Ingredient ID: TCMC1334
Formula: C18H18O2
Ingredient ID: TCMC1334
| Common Name | Honokiol |
| IUPAC Name | 2-(4-hydroxy-3-prop-2-enylphenyl)-4-prop-2-enylphenol |
| Canonical SMILES | C=CCc1ccc(c(c1)c1ccc(c(c1)CC=C)O)O |
| Standard InCHI | InChI=1S/C18H18O2/c1-3-5-13-7-9-18(20)16(11-13)14-8-10-17(19)15(12-14)6-4-2/h3-4,7-12,19-20H,1-2,5-6H2 |
| Standard InCHIKey | FVYXIJYOAGAUQK-UHFFFAOYSA-N |
| External Identifiers | ChEMBL [CHEMBL16901]; PubChem [72303]; |
| Reference of Component-Ingredient Pair | 22766801 |
Occurrence of the ingredient across TCM components
| Component ID | Latin Name | Pinyin Name | Chinese Name |
|---|---|---|---|
| TCMH1965 | Rheum palmatum | Shu Da Huang | 熟大黄 |
| TCMH291 | Cortex magnoliae officinalis | Chuan Pu | 川朴 |
| TCMH363 | Rheum officinale | Da Huang | 大黄 |
| TCMH365 | Rheum officinale | Da Huang Jin Gao | 大黄浸膏 |
| TCMH366 | Rheum officinale | Da Huang Liu Jin Gao | 大黄流浸膏 |
| TCMH498 | Benincasa hispida | Dong Gua Pi | 冬瓜皮 |
| TCMH500 | Benincasa hispida | Dong Gua Zi | 冬瓜子 |
| TCMH890 | Cortex magnoliae officinalis | Hou Pu | 厚朴 |
| TCMH891 | Flos magnoliae offcinalis | Hou Pu Hua | 厚朴花 |
Showing 1 to 9 of 9 entries
Ingredient ID: TCMC1264
Formula: C5H10N2O3
Ingredient ID: TCMC1264
| Common Name | Glutamine |
| IUPAC Name | (2S)-2,5-diamino-5-oxopentanoic acid |
| Canonical SMILES | OC(=N)CC[C@@H](C(=O)O)N |
| Standard InCHI | InChI=1S/C5H10N2O3/c6-3(5(9)10)1-2-4(7)8/h3H,1-2,6H2,(H2,7,8)(H,9,10)/t3-/m0/s1 |
| Standard InCHIKey | ZDXPYRJPNDTMRX-VKHMYHEASA-N |
| External Identifiers | ChEMBL [CHEMBL930]; PubChem [5961]; |
| Reference of Component-Ingredient Pair | 21982462 |
Occurrence of the ingredient across TCM components
| Component ID | Latin Name | Pinyin Name | Chinese Name |
|---|---|---|---|
| TCMH1734 | Homo sapiens | Ren Zhong Bai | 人中白 |
| TCMH2087 | Grangea maderaspatana | Tian Ji Huang | 田基黄 |
| TCMH228 | Bupleurum chinense | Chai Hu | 柴胡 |
| TCMH229 | Bupleurum chinense | Chai Hu Jin Gao | 柴胡浸膏 |
| TCMH230 | Bupleurum chinense | Chai Hu Shao | 柴胡梢 |
| TCMH2407 | Bupleurum chinense | Yan Tai Chai Hu | 烟台柴胡 |
| TCMH2710 | Homo sapiens | Zi He Che | 紫河车 |
| TCMH363 | Rheum officinale | Da Huang | 大黄 |
| TCMH365 | Rheum officinale | Da Huang Jin Gao | 大黄浸膏 |
| TCMH366 | Rheum officinale | Da Huang Liu Jin Gao | 大黄流浸膏 |
Showing 1 to 10 of 13 entries
Ingredient ID: TCMC1203
Formula: C8H8O5
Ingredient ID: TCMC1203
| Common Name | Gallic Acid Methyl Ester |
| IUPAC Name | methyl 3,4,5-trihydroxybenzoate |
| Canonical SMILES | COC(=O)c1cc(O)c(c(c1)O)O |
| Standard InCHI | InChI=1S/C8H8O5/c1-13-8(12)4-2-5(9)7(11)6(10)3-4/h2-3,9-11H,1H3 |
| Standard InCHIKey | FBSFWRHWHYMIOG-UHFFFAOYSA-N |
| External Identifiers | ChEMBL [CHEMBL65675]; PubChem [7428]; |
| Reference of Component-Ingredient Pair | N/A |
Occurrence of the ingredient across TCM components
| Component ID | Latin Name | Pinyin Name | Chinese Name |
|---|---|---|---|
| TCMH1121 | Cardiospermum halicacabum | Jin Si Ku Lian | 金丝苦楝 |
| TCMH1175 | Cornus officinalis | Jiu Yu Rou | 酒萸肉 |
| TCMH1448 | Mangifera indica | Mang Guo Ye | 芒果叶 |
| TCMH1493 | Euphorbia pekinensis | Mian Da Ji | 绵大戟 |
| TCMH1632 | Taraxacum mongolicum | Pu Gong Ying | 蒲公英 |
| TCMH1633 | Taraxacum mongolicum | Pu Gong Ying Jin Gao | 蒲公英浸膏 |
| TCMH1862 | Cornus officinalis | Shan Zhu Yu | 山茱萸 |
| TCMH1865 | Paeonia obovata | Shao Yao | 芍药 |
| TCMH1943 | Punica granatum | Shi Liu | 石榴 |
| TCMH1944 | Punica granatum | Shi Liu Pi | 石榴皮 |
Showing 1 to 10 of 34 entries
Ingredient ID: TCMC1202
Formula: C7H6O5
Ingredient ID: TCMC1202
| Common Name | Gallic Acid |
| IUPAC Name | 3,4,5-trihydroxybenzoic acid |
| Canonical SMILES | OC(=O)c1cc(O)c(c(c1)O)O |
| Standard InCHI | InChI=1S/C7H6O5/c8-4-1-3(7(11)12)2-5(9)6(4)10/h1-2,8-10H,(H,11,12) |
| Standard InCHIKey | LNTHITQWFMADLM-UHFFFAOYSA-N |
| External Identifiers | ChEMBL [CHEMBL288114]; PubChem [370]; |
| Reference of Component-Ingredient Pair | 23800587 |
Occurrence of the ingredient across TCM components
| Component ID | Latin Name | Pinyin Name | Chinese Name |
|---|---|---|---|
| TCMH1025 | Loropetalum chinense | Ji Mu Ye Jin Gao | 继木叶浸膏 |
| TCMH1033 | Centella asiatica | Ji Xue Cao | 积雪草 |
| TCMH108 | Perilla frutescens | Bai Su Zi | 白苏子 |
| TCMH1090 | Brassica juncea | Jie Zi | 芥子 |
| TCMH1121 | Cardiospermum halicacabum | Jin Si Ku Lian | 金丝苦楝 |
| TCMH1127 | Lonicera japonica | Jin Yin Hua | 金银花 |
| TCMH1128 | Lonicera japonica | Jin Yin Hua Ti Qu Ye | 金银花提取液 |
| TCMH1133 | Rosa laevigata | Jin Ying Zi | 金樱子 |
| TCMH1134 | Rosa laevigata | Jin Ying Zi Rou | 金樱子肉 |
| TCMH1135 | Rosa laevigata | Jin Ying Zi Ti Qu Ye | 金樱子提取液 |
Showing 1 to 10 of 168 entries
Ingredient ID: TCMC1113
Formula: C22H18O10
Ingredient ID: TCMC1113
| Common Name | Epicatechin Gallate |
| IUPAC Name | [(2R,3R)-2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-3,4-dihydro-2H-chromen-3-yl] 3,4,5-trihydroxybenzoate |
| Canonical SMILES | Oc1cc(O)c2c(c1)O[C@@H]([C@@H](C2)OC(=O)c1cc(O)c(c(c1)O)O)c1ccc(c(c1)O)O |
| Standard InCHI | InChI=1S/C22H18O10/c23-11-6-14(25)12-8-19(32-22(30)10-4-16(27)20(29)17(28)5-10)21(31-18(12)7-11)9-1-2-13(24)15(26)3-9/h1-7,19,21,23-29H,8H2/t19-,21-/m1/s1 |
| Standard InCHIKey | LSHVYAFMTMFKBA-TZIWHRDSSA-N |
| External Identifiers | ChEMBL [CHEMBL36327]; PubChem [107905]; |
| Reference of Component-Ingredient Pair | 23132683 |
Occurrence of the ingredient across TCM components
| Component ID | Latin Name | Pinyin Name | Chinese Name |
|---|---|---|---|
| TCMH1275 | Nelumbo nucifera | Lian Zi | 莲子 |
| TCMH1276 | Nelumbo nucifera | Lian Zi Xin | 莲子心 |
| TCMH1446 | Vaccinium oxycoccos | Man Yue Mei | 蔓越莓 |
| TCMH1475 | Glycyrrhiza uralensis | Mi Gan Cao | 蜜甘草 |
| TCMH1518 | Chaenomeles sinensis | Mu Gua | 木瓜 |
| TCMH1598 | Nelumbo nucifera | Ou | 藕 |
| TCMH1599 | Nelumbo nucifera | Ou Fen | 藕粉 |
| TCMH1601 | Nelumbo nucifera | Ou Pian | 藕片 |
| TCMH1742 | Cinnamomum cassia | Rou Gui | 肉桂 |
| TCMH1746 | Cinnamomum cassia | Rou Gui Zi | 肉桂子 |
Showing 1 to 10 of 47 entries
Ingredient ID: TCMC1105
Formula: C15H10O5
Ingredient ID: TCMC1105
| Common Name | Emodin |
| IUPAC Name | 1,3,8-trihydroxy-6-methylanthracene-9,10-dione |
| Canonical SMILES | Cc1cc(O)c2c(c1)C(=O)c1c(C2=O)c(O)cc(c1)O |
| Standard InCHI | InChI=1S/C15H10O5/c1-6-2-8-12(10(17)3-6)15(20)13-9(14(8)19)4-7(16)5-11(13)18/h2-5,16-18H,1H3 |
| Standard InCHIKey | RHMXXJGYXNZAPX-UHFFFAOYSA-N |
| External Identifiers | ChEMBL [CHEMBL289277]; PubChem [3220]; |
| Reference of Component-Ingredient Pair | 29045746 |
Occurrence of the ingredient across TCM components
| Component ID | Latin Name | Pinyin Name | Chinese Name |
|---|---|---|---|
| TCMH1117 | Rhizoma fagopyri cymosi | Jin Qiao Mai | 金荞麦 |
| TCMH1199 | Cassia tora | Jue Ming Zi | 决明子 |
| TCMH1214 | Picrasma quassioides | Ku Mu | 苦木 |
| TCMH1475 | Glycyrrhiza uralensis | Mi Gan Cao | 蜜甘草 |
| TCMH1490 | Aster tataricus | Mi Zi Wan | 蜜紫菀 |
| TCMH1589 | Rumex patientia | Niu Xi Xi | 牛西西 |
| TCMH1899 | Glycyrrhiza uralensis | Sheng Gan Cao | 生甘草 |
| TCMH1920 | Acorus tatarinowii | Shi Chang Pu | 石菖蒲 |
| TCMH1922 | Acorus tatarinowii | Shi Chang Pu Jin Gao | 石菖蒲浸膏 |
| TCMH1923 | Acorus tatarinowii | Shi Chang Pu Qing Gao | 石菖蒲清膏 |
Showing 1 to 10 of 39 entries
Properties
| Ingredient ID | Formulae | Name | MW | AlogP | MlogP | XlogP | # HBA | # HBD | PSA | # Rotatable Bond | # Ring | # Heacy Atom | Lipinski RO5 Violation |
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| TCMC1105 | C15H10O5 | Emodin | 270.05 | -1.2665 | 2.56 | 0.664 | 2 | 3 | 94.83 | 4 | 3 | 20 | 0 |
| TCMC1113 | C22H18O10 | Epicatechin Gallate | 442.09 | -3.5057 | 2.78 | 1.228 | 2 | 7 | 177.14 | 11 | 4 | 32 | 1 |
| TCMC1202 | C7H6O5 | Gallic Acid | 170.02 | -1.6207 | 1.68 | 0.002 | 2 | 4 | 97.99 | 5 | 1 | 12 | 0 |
| TCMC1203 | C8H8O5 | Gallic Acid Methyl Ester | 184.04 | -1.3697 | 1.79 | 0.323 | 2 | 3 | 86.99 | 6 | 1 | 13 | 0 |
| TCMC1264 | C5H10N2O3 | Glutamine | 146.07 | -1.4816 | 1.46 | -2.943 | 5 | 4 | 107.4 | 7 | 0 | 10 | 0 |
| TCMC1334 | C18H18O2 | Honokiol | 266.13 | 1.1368 | 3.22 | 5.024 | 0 | 2 | 40.46 | 7 | 2 | 20 | 1 |
| TCMC1495 | C18H32O2 | Linoleic Acid | 280.24 | -0.9485 | 3.22 | 7.865 | 2 | 1 | 37.3 | 16 | 0 | 20 | 2 |
| TCMC1496 | C18H30O2 | Linolenic Acid | 278.22 | -0.0979 | 3.22 | 7.538 | 2 | 1 | 37.3 | 15 | 0 | 20 | 2 |
| TCMC1523 | C18H18O2 | Magnolol | 266.13 | 1.1368 | 3.22 | 5.446 | 0 | 2 | 40.46 | 7 | 2 | 20 | 1 |
| TCMC1579 | C19H20O2 | Methylhonokiol | 280.15 | 1.5453 | 3.33 | 5.543 | 0 | 1 | 29.46 | 8 | 2 | 21 | 1 |
Showing 1 to 10 of 35 entries
Download Data
All data can be downloaded by:→ Selecting data type in the below download table
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