Component ID |
TCMH2728 |
Latin Name |
Aster tataricus |
English Name |
Tatarion aster |
Chinese Pinyin Name |
Zi Wan |
中文名 |
紫菀 |
TCM Properties |
Warm,Pungent,Sweet,Bitter |
TCM Meridians |
Lung |
Therapeutic Class English |
For desolving phlegm, stopping cougth, and soothing breathing |
Therapeutic Class Chinese |
化痰止咳平喘 |
Functions |
eliminate phlegm and relieve cough |
Toxicity |
NA |
Geo-authentic habitats (道地产区) |
Hebei Province,Beijing,Tianjin |
Reference |
Chinese Pharmacopoeia (2015) |
Barcode ID |
ITSAI2445-14 |
Barcode Source |
BOLDSYSTEMS |
Prescription ID | Prescription English Name | Prescription Chinese Name |
---|---|---|
TCMF1017 | Yi Fei Qing Hua Ointment | 益肺清化膏 |
TCMF1840 | Lifting and Benefiting Decoction | |
TCMF187 | Er Mu An Sou Pills | 二母安嗽丸 |
TCMF1882 | Pinellia Syrup | 半夏露 |
TCMF2148 | Belamcanda Ephedra Decoction | 射干麻黄汤 |
TCMF243 | Xiao Er Fei Ke Granules | 小儿肺咳颗粒 |
TCMF2538 | Powder of Astragali seu Hedysari and Carapax Trionycis | 黄芪鳖甲散 |
TCMF2583 | Powder of Ginseng and Astragali seu Hedysari | 人参黄芪散 |
TCMF2959 | An Sou Hua Tan Pills | 安嗽化痰丸 |
TCMF3009 | Er Mu An Sou Tablets | 二母安嗽片 |
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 |
TCMT112 | ADORA3 | Adenosine A3 receptor | GPCR | P0DMS8 |
TCMT125 | GBA | Beta-glucocerebrosidase | Hydrolase | P04062 |
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 |
Target ID | Target Name |
---|---|
TCMT1090 | Human immunodeficiency virus type 1 integrase |
TCMT1092 | Fatty acid synthase |
TCMT1093 | Enoyl-acyl-carrier protein reductase |
TCMT1094 | 3-oxoacyl-acyl-carrier protein reductase |
TCMT1099 | Neuraminidase |
TCMT1108 | Integrase |
TCMT1109 | Reverse transcriptase |
TCMT1121 | Sialidase |
TCMT1136 | Neuraminidase |
TCMT1176 | Streptococcus pneumoniae |
Ingredient ID: TCMC999
Formula: C10H20O2
Common Name | Decanoic Acid |
IUPAC Name | decanoic acid |
Canonical SMILES | CCCCCCCCCC(=O)O |
Standard InCHI | InChI=1S/C10H20O2/c1-2-3-4-5-6-7-8-9-10(11)12/h2-9H2,1H3,(H,11,12) |
Standard InCHIKey | GHVNFZFCNZKVNT-UHFFFAOYSA-N |
External Identifiers | ChEMBL [CHEMBL107498]; PubChem [2969]; |
Reference of Component-Ingredient Pair | 29968805 |
Component ID | Latin Name | Pinyin Name | Chinese Name |
---|---|---|---|
TCMH1127 | Lonicera japonica | Jin Yin Hua | 金银花 |
TCMH1128 | Lonicera japonica | Jin Yin Hua Ti Qu Ye | 金银花提取液 |
TCMH114 | Platycladus orientalis | Bai Ye | 柏叶 |
TCMH1178 | Citrus reticulata | Ju He | 橘核 |
TCMH1184 | Citrus reticulata | Ju Pi | 橘皮 |
TCMH1292 | Radix smilacis | Ling Xian | 灵仙 |
TCMH1343 | Aloe vera | Lu Hui | 芦荟 |
TCMH1469 | Flos mume | Mei Hua | 梅花 |
TCMH147 | Glehnia littoralis | Bei Sha Shen | 北沙参 |
TCMH148 | Glehnia littoralis | Bei Sha Shen Liu Jin Gao | 北沙参流浸膏 |
Ingredient ID: TCMC912
Formula: C15H10O4
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 |
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 |
Ingredient ID: TCMC908
Formula: C15H10O4
Common Name | Chrysin |
IUPAC Name | 5,7-dihydroxy-2-phenylchromen-4-one |
Canonical SMILES | Oc1cc(O)c2c(c1)oc(cc2=O)c1ccccc1 |
Standard InCHI | InChI=1S/C15H10O4/c16-10-6-11(17)15-12(18)8-13(19-14(15)7-10)9-4-2-1-3-5-9/h1-8,16-17H |
Standard InCHIKey | RTIXKCRFFJGDFG-UHFFFAOYSA-N |
External Identifiers | ChEMBL [CHEMBL117]; PubChem [5281607]; |
Reference of Component-Ingredient Pair | 29162470 |
Component ID | Latin Name | Pinyin Name | Chinese Name |
---|---|---|---|
TCMH1127 | Lonicera japonica | Jin Yin Hua | 金银花 |
TCMH1128 | Lonicera japonica | Jin Yin Hua Ti Qu Ye | 金银花提取液 |
TCMH1181 | Chrysanthemum morifolium | Ju Hua | 菊花 |
TCMH1437 | Rhododendron dauricum | Man Shan Hong | 满山红 |
TCMH1490 | Aster tataricus | Mi Zi Wan | 蜜紫菀 |
TCMH1519 | Oroxylum indicum | Mu Hu Die | 木蝴蝶 |
TCMH1622 | Scutellaria baicalensis | Pian Qin | 片芩 |
TCMH1714 | Lonicera japonica | Ren Dong Teng | 忍冬藤 |
TCMH1823 | Alpinia zerumbet | Shan Jiang | 山姜 |
TCMH2071 | Prunus persica | Tao | 桃 |
Ingredient ID: TCMC897
Formula: C16H18O9
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 |
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 |
Ingredient ID: TCMC770
Formula: C7H6O2
Common Name | Benzoic Acid |
IUPAC Name | hydron;benzoate |
Canonical SMILES | OC(=O)c1ccccc1 |
Standard InCHI | InChI=1S/C7H6O2/c8-7(9)6-4-2-1-3-5-6/h1-5H,(H,8,9) |
Standard InCHIKey | WPYMKLBDIGXBTP-UHFFFAOYSA-N |
External Identifiers | ChEMBL [CHEMBL541]; PubChem [20144841]; |
Reference of Component-Ingredient Pair | N/A |
Component ID | Latin Name | Pinyin Name | Chinese Name |
---|---|---|---|
TCMH104 | Paeonia lactiflora | Bai Shao | 白芍 |
TCMH1045 | Piper sarmentosum | Jia Ju | 假蒟 |
TCMH105 | Paeonia lactiflora | Bai Shao Gan Jin Gao | 白芍干浸膏 |
TCMH1051 | Piper sarmentosum | Jia 蒟ye | 假蒟叶 |
TCMH1105 | Trollius chinensis | Jin Lian Hua | 金莲花 |
TCMH1150 | Gynura segetum | Jing Tian San Qi | 景天三七 |
TCMH12 | Artemisia argyi | Ai Ye | 艾叶 |
TCMH126 | Isatis indigotica | Ban Lan | 板蓝 |
TCMH127 | Isatis indigotica | Ban Lan Gen | 板蓝根 |
TCMH1272 | Forsythia suspensa | Lian Qiao | 连翘 |
Ingredient ID: TCMC696
Formula: C10H12O
Common Name | Anethole |
IUPAC Name | 1-methoxy-4-[(E)-prop-1-enyl]benzene |
Canonical SMILES | C/C=C/c1ccc(cc1)OC |
Standard InCHI | InChI=1S/C10H12O/c1-3-4-9-5-7-10(11-2)8-6-9/h3-8H,1-2H3/b4-3+ |
Standard InCHIKey | RUVINXPYWBROJD-ONEGZZNKSA-N |
External Identifiers | ChEMBL [CHEMBL452630]; PubChem [637563]; |
Reference of Component-Ingredient Pair | 29191726 |
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 |
TCMH114 | Platycladus orientalis | Bai Ye | 柏叶 |
TCMH1158 | Ocimum basilicum | Jiu Ceng Ta | 九层塔 |
TCMH1175 | Cornus officinalis | Jiu Yu Rou | 酒萸肉 |
TCMH1290 | Ocimum basilicum | Ling Ling Xiang | 零陵香 |
TCMH1292 | Radix smilacis | Ling Xian | 灵仙 |
TCMH132 | Scutellaria barbata | Ban Zhi Lian | 半枝莲 |
TCMH1374 | Ocimum basilicum | Luo Le | 罗勒 |
Ingredient ID: TCMC6662
Formula: C57H92O26
Common Name | Aster Saponin A |
IUPAC Name | [(2R,3R,4S,5R)-5-hydroxy-3-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxy-4-[(2R,3R,4S,5R)-3,4,5-trihydroxyoxan-2-yl]oxyoxan-2-yl] (4aR,5R,6aR,6aS,6bR,10R,11S,12aR,14bR)-5,11-dihydroxy-2,2,6a,6b,9,9,12a-heptamethyl-10-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-[[(2S,3R,4S,5S)-3,4,5-trihydroxyoxan-2-yl]oxymethyl]oxan-2-yl]oxy-1,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropicene-4a-carboxylate |
Canonical SMILES | O[C@@H]1[C@@H](O)[C@H](O[C@@H]([C@H]1O)CO[C@@H]1OC[C@@H]([C@@H]([C@H]1O)O)O)O[C@H]1[C@@H](O)C[C@]2(C(C1(C)C)CC[C@@]1([C@@H]2CC=C2[C@@]1(C)C[C@H]([C@@]1([C@@H]2CC(C)(C)CC1)C(=O)O[C@H]1OC[C@H]([C@@H]([C@H]1O[C@@H]1O[C@@H](C)[C@@H]([C@H]([C@H]1O)O)O)O[C@H]1OC[C@H]([C@@H]([C@H]1O)O)O)O)O)C)C |
Standard InCHI | InChI=1S/C57H92O26/c1-22-33(63)37(67)41(71)48(78-22)81-44-43(80-47-40(70)35(65)27(60)19-75-47)28(61)20-76-50(44)83-51(73)57-14-13-52(2,3)15-24(57)23-9-10-31-54(6)16-25(58)45(53(4,5)30(54)11-12-55(31,7)56(23,8)17-32(57)62)82-49-42(72)38(68)36(66)29(79-49)21-77-46-39(69)34(64)26(59)18-74-46/h9,22,24-50,58-72H,10-21H2,1-8H3/t22-,24+,25-,26-,27+,28+,29+,30?,31+,32+,33-,34-,35-,36+,37+,38-,39+,40+,41+,42+,43-,44+,45-,46-,47+,48-,49+,50+,54-,55+,56+,57+/m0/s1 |
Standard InCHIKey | YGLAMUOJTBIBNC-XBQPNPOFSA-N |
External Identifiers | ChEMBL [N/A]; PubChem [44153458]; |
Reference of Component-Ingredient Pair | 7764375 |
Ingredient ID: TCMC5952
Formula: C30H50O
Common Name | Shionone |
IUPAC Name | (1R,4aS,4bS,6aS,8R,10aR,10bS,12aS)-1,4b,6a,8,10a,12a-hexamethyl-8-(4-methylpent-3-enyl)-1,3,4,4a,5,6,7,9,10,10b,11,12-dodecahydrochrysen-2-one |
Canonical SMILES | CC(=CCC[C@]1(C)CC[C@]2([C@@](C1)(C)CC[C@@]1([C@@H]2CC[C@]2([C@H]1CCC(=O)[C@@H]2C)C)C)C)C |
Standard InCHI | InChI=1S/C30H50O/c1-21(2)10-9-14-26(4)16-19-30(8)25-13-15-28(6)22(3)23(31)11-12-24(28)29(25,7)18-17-27(30,5)20-26/h10,22,24-25H,9,11-20H2,1-8H3/t22-,24+,25-,26+,27-,28+,29-,30+/m0/s1 |
Standard InCHIKey | HXPXUNQUXCHJLL-LZQQOHPBSA-N |
External Identifiers | ChEMBL [N/A]; PubChem [12315507]; |
Reference of Component-Ingredient Pair | 15015355 |
Ingredient ID: TCMC469
Formula: C25H24O12
Common Name | 4,5-Dicaffeoylquinic Acid |
IUPAC Name | (1R,3R,4S,5R)-3,4-bis[[(E)-3-(3,4-dihydroxyphenyl)prop-2-enoyl]oxy]-1,5-dihydroxycyclohexane-1-carboxylic acid |
Canonical SMILES | O=C(O[C@H]1[C@H](O)C[C@](C[C@H]1OC(=O)/C=C/c1ccc(c(c1)O)O)(O)C(=O)O)/C=C/c1ccc(c(c1)O)O |
Standard InCHI | InChI=1S/C25H24O12/c26-15-5-1-13(9-17(15)28)3-7-21(31)36-20-12-25(35,24(33)34)11-19(30)23(20)37-22(32)8-4-14-2-6-16(27)18(29)10-14/h1-10,19-20,23,26-30,35H,11-12H2,(H,33,34)/b7-3+,8-4+/t19-,20-,23+,25-/m1/s1 |
Standard InCHIKey | UFCLZKMFXSILNL-RVXRWRFUSA-N |
External Identifiers | ChEMBL [CHEMBL177126]; PubChem [6474309]; |
Reference of Component-Ingredient Pair | 22701506 |
Component ID | Latin Name | Pinyin Name | Chinese Name |
---|---|---|---|
TCMH1033 | Centella asiatica | Ji Xue Cao | 积雪草 |
TCMH1127 | Lonicera japonica | Jin Yin Hua | 金银花 |
TCMH1128 | Lonicera japonica | Jin Yin Hua Ti Qu Ye | 金银花提取液 |
TCMH1162 | Sarcandra glabra | Jiu Jie Cha | 九节茶 |
TCMH12 | Artemisia argyi | Ai Ye | 艾叶 |
TCMH1223 | Tussilago farfara | Kuan Dong Hua | 款冬花 |
TCMH13 | Artemisia argyi | Ai Ye You | 艾叶油 |
TCMH1483 | Tussilago farfara | Mi Kuan Dong Hua | 蜜款冬花 |
TCMH1490 | Aster tataricus | Mi Zi Wan | 蜜紫菀 |
TCMH1531 | Akebia quinata | Mu Tong | 木通 |
Ingredient ID: TCMC4687
Formula: C12H14O2
Common Name | Lachnophyllol Acetate |
IUPAC Name | [(E)-dec-2-en-4,6-diynyl] acetate |
Canonical SMILES | CCCC#CC#C/C=C/COC(=O)C |
Standard InCHI | InChI=1S/C12H14O2/c1-3-4-5-6-7-8-9-10-11-14-12(2)13/h9-10H,3-4,11H2,1-2H3/b10-9+ |
Standard InCHIKey | MBPOFHHSNKUQAY-MDZDMXLPSA-N |
External Identifiers | ChEMBL [N/A]; PubChem [5318914]; |
Reference of Component-Ingredient Pair | N/A |
Ingredient ID: TCMC4686
Formula: C10H12O
Common Name | Lachnophyllol |
IUPAC Name | (E)-dec-2-en-4,6-diyn-1-ol |
Canonical SMILES | CCCC#CC#C/C=C/CO |
Standard InCHI | InChI=1S/C10H12O/c1-2-3-4-5-6-7-8-9-10-11/h8-9,11H,2-3,10H2,1H3/b9-8+ |
Standard InCHIKey | UVYOXYJPADNJRE-CMDGGOBGSA-N |
External Identifiers | ChEMBL [N/A]; PubChem [5318913]; |
Reference of Component-Ingredient Pair | N/A |
Ingredient ID: TCMC418
Formula: C25H24O12
Common Name | 3,4-Dicaffeoylquinic Acid |
IUPAC Name | (1S,3R,4R,5R)-3,4-bis[[(E)-3-(3,4-dihydroxyphenyl)prop-2-enoyl]oxy]-1,5-dihydroxycyclohexane-1-carboxylic acid |
Canonical SMILES | O=C(O[C@@H]1[C@H](O)C[C@@](C[C@H]1OC(=O)/C=C/c1ccc(c(c1)O)O)(O)C(=O)O)/C=C/c1ccc(c(c1)O)O |
Standard InCHI | InChI=1S/C25H24O12/c26-15-5-1-13(9-17(15)28)3-7-21(31)36-20-12-25(35,24(33)34)11-19(30)23(20)37-22(32)8-4-14-2-6-16(27)18(29)10-14/h1-10,19-20,23,26-30,35H,11-12H2,(H,33,34)/b7-3+,8-4+/t19-,20-,23-,25+/m1/s1 |
Standard InCHIKey | UFCLZKMFXSILNL-PSEXTPKNSA-N |
External Identifiers | ChEMBL [CHEMBL249448]; PubChem [5281780]; |
Reference of Component-Ingredient Pair | 22701506 |
Component ID | Latin Name | Pinyin Name | Chinese Name |
---|---|---|---|
TCMH1033 | Centella asiatica | Ji Xue Cao | 积雪草 |
TCMH1127 | Lonicera japonica | Jin Yin Hua | 金银花 |
TCMH1128 | Lonicera japonica | Jin Yin Hua Ti Qu Ye | 金银花提取液 |
TCMH12 | Artemisia argyi | Ai Ye | 艾叶 |
TCMH1223 | Tussilago farfara | Kuan Dong Hua | 款冬花 |
TCMH13 | Artemisia argyi | Ai Ye You | 艾叶油 |
TCMH1483 | Tussilago farfara | Mi Kuan Dong Hua | 蜜款冬花 |
TCMH1490 | Aster tataricus | Mi Zi Wan | 蜜紫菀 |
TCMH1632 | Taraxacum mongolicum | Pu Gong Ying | 蒲公英 |
TCMH1633 | Taraxacum mongolicum | Pu Gong Ying Jin Gao | 蒲公英浸膏 |
Ingredient ID: TCMC3422
Formula: C30H52O
Common Name | Epifriedelanol |
IUPAC Name | (3S,4R,4aS,6aS,6aS,6bR,8aR,12aR,14aS,14bS)-4,4a,6a,6b,8a,11,11,14a-octamethyl-1,2,3,4,5,6,6a,7,8,9,10,12,12a,13,14,14b-hexadecahydropicen-3-ol |
Canonical SMILES | O[C@H]1CC[C@@H]2[C@]([C@H]1C)(C)CC[C@H]1[C@@]2(C)CC[C@@]2([C@]1(C)CC[C@@]1([C@H]2CC(C)(C)CC1)C)C |
Standard InCHI | InChI=1S/C30H52O/c1-20-21(31)9-10-22-27(20,5)12-11-23-28(22,6)16-18-30(8)24-19-25(2,3)13-14-26(24,4)15-17-29(23,30)7/h20-24,31H,9-19H2,1-8H3/t20-,21-,22+,23-,24+,26+,27+,28-,29+,30-/m0/s1 |
Standard InCHIKey | XCDQFROEGGNAER-PFOIMGGJSA-N |
External Identifiers | ChEMBL [CHEMBL464649]; PubChem [119242]; |
Reference of Component-Ingredient Pair | N/A |
Ingredient ID: TCMC280
Formula: C10H12O
Common Name | 1-Methoxy-4-[(Z)-Prop-1-Enyl]Benzene |
IUPAC Name | 1-methoxy-4-[(Z)-prop-1-enyl]benzene |
Canonical SMILES | C/C=Cc1ccc(cc1)OC |
Standard InCHI | InChI=1S/C10H12O/c1-3-4-9-5-7-10(11-2)8-6-9/h3-8H,1-2H3/b4-3- |
Standard InCHIKey | RUVINXPYWBROJD-ARJAWSKDSA-N |
External Identifiers | ChEMBL [CHEMBL1468832]; PubChem [1549040]; |
Reference of Component-Ingredient Pair | N/A |
Component ID | Latin Name | Pinyin Name | Chinese Name |
---|---|---|---|
TCMH1000 | Foeniculum vulgare | Hui Xiang | 茴香 |
TCMH1008 | Pogostemon cablin | Huo Xiang | 藿香 |
TCMH1009 | Pogostemon cablin | Huo Xiang Ye | 藿香叶 |
TCMH1063 | Curcuma longa | Jiang Huang | 姜黄 |
TCMH1158 | Ocimum basilicum | Jiu Ceng Ta | 九层塔 |
TCMH1290 | Ocimum basilicum | Ling Ling Xiang | 零陵香 |
TCMH132 | Scutellaria barbata | Ban Zhi Lian | 半枝莲 |
TCMH1374 | Ocimum basilicum | Luo Le | 罗勒 |
TCMH1475 | Glycyrrhiza uralensis | Mi Gan Cao | 蜜甘草 |
TCMH1490 | Aster tataricus | Mi Zi Wan | 蜜紫菀 |
Ingredient ID: TCMC2484
Formula: C10H18O
Common Name | Terpineol |
IUPAC Name | 4-methyl-1-propan-2-ylcyclohex-3-en-1-ol |
Canonical SMILES | CC1=CCC(CC1)(O)C(C)C |
Standard InCHI | InChI=1S/C10H18O/c1-8(2)10(11)6-4-9(3)5-7-10/h4,8,11H,5-7H2,1-3H3 |
Standard InCHIKey | WRYLYDPHFGVWKC-UHFFFAOYSA-N |
External Identifiers | ChEMBL [CHEMBL507795]; PubChem [11230]; |
Reference of Component-Ingredient Pair | 23122094 |
Component ID | Latin Name | Pinyin Name | Chinese Name |
---|---|---|---|
TCMH1000 | Foeniculum vulgare | Hui Xiang | 茴香 |
TCMH1063 | Curcuma longa | Jiang Huang | 姜黄 |
TCMH1127 | Lonicera japonica | Jin Yin Hua | 金银花 |
TCMH1128 | Lonicera japonica | Jin Yin Hua Ti Qu Ye | 金银花提取液 |
TCMH1178 | Citrus reticulata | Ju He | 橘核 |
TCMH1184 | Citrus reticulata | Ju Pi | 橘皮 |
TCMH12 | Artemisia argyi | Ai Ye | 艾叶 |
TCMH1225 | Valeriana officinalis | Kuan Ye Xie Cao | 宽叶缬草 |
TCMH1272 | Forsythia suspensa | Lian Qiao | 连翘 |
TCMH13 | Artemisia argyi | Ai Ye You | 艾叶油 |
Ingredient ID: TCMC2324
Formula: C10H16
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 |
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 |
Ingredient ID: TCMC2138
Formula: C16H12O4
Common Name | Techtochrysin |
IUPAC Name | 5-hydroxy-7-methoxy-2-phenylchromen-4-one |
Canonical SMILES | COc1cc(O)c2c(c1)oc(cc2=O)c1ccccc1 |
Standard InCHI | InChI=1S/C16H12O4/c1-19-11-7-12(17)16-13(18)9-14(20-15(16)8-11)10-5-3-2-4-6-10/h2-9,17H,1H3 |
Standard InCHIKey | IRZVHDLBAYNPCT-UHFFFAOYSA-N |
External Identifiers | ChEMBL [CHEMBL164841]; PubChem [5281954]; |
Reference of Component-Ingredient Pair | 21416454 |
Component ID | Latin Name | Pinyin Name | Chinese Name |
---|---|---|---|
TCMH109 | Pulsatilla chinensis | Bai Tou Weng | 白头翁 |
TCMH1490 | Aster tataricus | Mi Zi Wan | 蜜紫菀 |
TCMH1519 | Oroxylum indicum | Mu Hu Die | 木蝴蝶 |
TCMH1622 | Scutellaria baicalensis | Pian Qin | 片芩 |
TCMH1823 | Alpinia zerumbet | Shan Jiang | 山姜 |
TCMH2148 | Cuscuta australis | Tu Si Rou | 菟丝肉 |
TCMH2149 | Cuscuta australis | Tu Si Zi | 菟丝子 |
TCMH2150 | Cuscuta australis | Tu Si Zi Teng | 菟丝子藤 |
TCMH2488 | Alpinia oxyphylla | Yi Zhi | 益智 |
TCMH2491 | Alpinia oxyphylla | Yi Zhi Ren | 益智仁 |
Ingredient ID: TCMC1982
Formula: C15H10O7
Common Name | Quercetin |
IUPAC Name | 2-(3,4-dihydroxyphenyl)-3,5,7-trihydroxychromen-4-one |
Canonical SMILES | Oc1cc(O)c2c(c1)oc(c(c2=O)O)c1ccc(c(c1)O)O |
Standard InCHI | InChI=1S/C15H10O7/c16-7-4-10(19)12-11(5-7)22-15(14(21)13(12)20)6-1-2-8(17)9(18)3-6/h1-5,16-19,21H |
Standard InCHIKey | REFJWTPEDVJJIY-UHFFFAOYSA-N |
External Identifiers | ChEMBL [CHEMBL50]; PubChem [5280343]; |
Reference of Component-Ingredient Pair | 26766292 |
Component ID | Latin Name | Pinyin Name | Chinese Name |
---|---|---|---|
TCMH1008 | Pogostemon cablin | Huo Xiang | 藿香 |
TCMH1009 | Pogostemon cablin | Huo Xiang Ye | 藿香叶 |
TCMH1032 | Impatiens balsamina | Ji Xing Zi | 急性子 |
TCMH1033 | Centella asiatica | Ji Xue Cao | 积雪草 |
TCMH1090 | Brassica juncea | Jie Zi | 芥子 |
TCMH1096 | Inula japonica | Jin Fei Cao | 金沸草 |
TCMH1099 | Gymnema sylvestre | Jin Gang Teng | 金刚藤 |
TCMH1100 | Gymnema sylvestre | Jin Gang Tou | 金刚头 |
TCMH1105 | Trollius chinensis | Jin Lian Hua | 金莲花 |
TCMH1117 | Rhizoma fagopyri cymosi | Jin Qiao Mai | 金荞麦 |
Ingredient ID: TCMC1901
Formula: C15H14O2
Common Name | Pinosylvin Methyl Ether |
IUPAC Name | 3-methoxy-5-[(E)-2-phenylethenyl]phenol |
Canonical SMILES | COc1cc(/C=C/c2ccccc2)cc(c1)O |
Standard InCHI | InChI=1S/C15H14O2/c1-17-15-10-13(9-14(16)11-15)8-7-12-5-3-2-4-6-12/h2-11,16H,1H3/b8-7+ |
Standard InCHIKey | JVIXPWIEOVZVJC-BQYQJAHWSA-N |
External Identifiers | ChEMBL [CHEMBL186366]; PubChem [5281719]; |
Reference of Component-Ingredient Pair | N/A |
Component ID | Latin Name | Pinyin Name | Chinese Name |
---|---|---|---|
TCMH128 | Castanea mollissima | Ban Li Ke | 板栗壳 |
TCMH1490 | Aster tataricus | Mi Zi Wan | 蜜紫菀 |
TCMH1622 | Scutellaria baicalensis | Pian Qin | 片芩 |
TCMH2148 | Cuscuta australis | Tu Si Rou | 菟丝肉 |
TCMH2149 | Cuscuta australis | Tu Si Zi | 菟丝子 |
TCMH2150 | Cuscuta australis | Tu Si Zi Teng | 菟丝子藤 |
TCMH2200 | Firmiana simplex | Wu Tong Ye Jin Gao | 梧桐叶浸膏 |
TCMH264 | Laggera pterodonta | Chu Ling Dan | 臭灵丹 |
TCMH265 | Laggera pterodonta | Chu Ling Dan Cao | 臭灵丹草 |
TCMH2728 | Aster tataricus | Zi Wan | 紫菀 |
Ingredient ID: TCMC1889
Formula: C16H12O5
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 |
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 |
Ingredient ID: TCMC1830
Formula: C16H32O2
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 |
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 |
Ingredient ID: TCMC1788
Formula: C18H34O2
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 |
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 |
Ingredient ID: TCMC1495
Formula: C18H32O2
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 |
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 |
Ingredient ID: TCMC1429
Formula: C15H10O6
Common Name | Kaempferol |
IUPAC Name | 3,5,7-trihydroxy-2-(4-hydroxyphenyl)chromen-4-one |
Canonical SMILES | Oc1ccc(cc1)c1oc2cc(O)cc(c2c(=O)c1O)O |
Standard InCHI | InChI=1S/C15H10O6/c16-8-3-1-7(2-4-8)15-14(20)13(19)12-10(18)5-9(17)6-11(12)21-15/h1-6,16-18,20H |
Standard InCHIKey | IYRMWMYZSQPJKC-UHFFFAOYSA-N |
External Identifiers | ChEMBL [CHEMBL150]; PubChem [5280863]; |
Reference of Component-Ingredient Pair | 29162470 |
Component ID | Latin Name | Pinyin Name | Chinese Name |
---|---|---|---|
TCMH1000 | Foeniculum vulgare | Hui Xiang | 茴香 |
TCMH1008 | Pogostemon cablin | Huo Xiang | 藿香 |
TCMH1009 | Pogostemon cablin | Huo Xiang Ye | 藿香叶 |
TCMH103 | Thesium chinense | Bai Rui Cao | 百蕊草 |
TCMH1032 | Impatiens balsamina | Ji Xing Zi | 急性子 |
TCMH1033 | Centella asiatica | Ji Xue Cao | 积雪草 |
TCMH1090 | Brassica juncea | Jie Zi | 芥子 |
TCMH1096 | Inula japonica | Jin Fei Cao | 金沸草 |
TCMH1127 | Lonicera japonica | Jin Yin Hua | 金银花 |
TCMH1128 | Lonicera japonica | Jin Yin Hua Ti Qu Ye | 金银花提取液 |
Ingredient ID: TCMC1192
Formula: C30H50O
Common Name | Friedeline |
IUPAC Name | (4R,4aS,6aS,6aS,6bR,8aR,12aR,14aS,14bS)-4,4a,6a,6b,8a,11,11,14a-octamethyl-2,4,5,6,6a,7,8,9,10,12,12a,13,14,14b-tetradecahydro-1H-picen-3-one |
Canonical SMILES | O=C1CC[C@@H]2[C@]([C@H]1C)(C)CC[C@H]1[C@@]2(C)CC[C@@]2([C@]1(C)CC[C@@]1([C@H]2CC(C)(C)CC1)C)C |
Standard InCHI | InChI=1S/C30H50O/c1-20-21(31)9-10-22-27(20,5)12-11-23-28(22,6)16-18-30(8)24-19-25(2,3)13-14-26(24,4)15-17-29(23,30)7/h20,22-24H,9-19H2,1-8H3/t20-,22+,23-,24+,26+,27+,28-,29+,30-/m0/s1 |
Standard InCHIKey | OFMXGFHWLZPCFL-SVRPQWSVSA-N |
External Identifiers | ChEMBL [CHEMBL485998]; PubChem [91472]; |
Reference of Component-Ingredient Pair | 20026015 |
Component ID | Latin Name | Pinyin Name | Chinese Name |
---|---|---|---|
TCMH1008 | Pogostemon cablin | Huo Xiang | 藿香 |
TCMH1009 | Pogostemon cablin | Huo Xiang Ye | 藿香叶 |
TCMH1039 | Kummerowia striata | Ji Yan Cao | 鸡眼草 |
TCMH1121 | Cardiospermum halicacabum | Jin Si Ku Lian | 金丝苦楝 |
TCMH1179 | Citri exocarpium rubrum | Ju Hong | 橘红 |
TCMH1396 | Portulaca oleracea | Ma Chi Xian | 马齿苋 |
TCMH1448 | Mangifera indica | Mang Guo Ye | 芒果叶 |
TCMH1452 | Gerbera piloselloides | Mao Da Ding Cao | 毛大丁草 |
TCMH1490 | Aster tataricus | Mi Zi Wan | 蜜紫菀 |
TCMH1584 | Achyranthes bidentata | Niu Teng | 牛藤 |
Ingredient ID: TCMC1105
Formula: C15H10O5
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 |
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 |
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 |
TCMC1192 | C30H50O | Friedeline | 426.39 | 3.2175 | 4.65 | 12.613 | 1 | 0 | 17.07 | 8 | 5 | 31 | 1 |
TCMC1429 | C15H10O6 | Kaempferol | 286.05 | -2.3409 | 2.45 | 1.915 | 2 | 4 | 107.22 | 5 | 3 | 21 | 0 |
TCMC1495 | C18H32O2 | Linoleic Acid | 280.24 | -0.9485 | 3.22 | 7.865 | 2 | 1 | 37.3 | 16 | 0 | 20 | 2 |
TCMC1788 | C18H34O2 | Oleic Acid | 282.26 | -2.3427 | 3.22 | 8.192 | 2 | 1 | 37.3 | 17 | 0 | 20 | 2 |
TCMC1830 | C16H32O2 | Palmitic Acid | 256.24 | -3.8977 | 3 | 7.57 | 2 | 1 | 37.3 | 16 | 0 | 18 | 2 |
TCMC1889 | C16H12O5 | Physcion | 284.07 | -0.858 | 2.67 | 1.183 | 2 | 2 | 83.83 | 5 | 3 | 21 | 0 |
TCMC1901 | C15H14O2 | Pinosylvin Methyl Ether | 226.1 | -0.0443 | 2.89 | 5.973 | 0 | 1 | 29.46 | 5 | 2 | 17 | 1 |
TCMC1982 | C15H10O7 | Quercetin | 302.04 | -2.8012 | 2.34 | 1.381 | 2 | 5 | 127.45 | 6 | 3 | 22 | 0 |
TCMC2138 | C16H12O4 | Techtochrysin | 268.07 | -1.0157 | 2.78 | 3.682 | 1 | 1 | 55.76 | 4 | 3 | 20 | 0 |