Component ID |
TCMH1264 |
Latin Name |
Litchi chinensis |
English Name |
Lychee seed |
Chinese Pinyin Name |
Li Zhi He |
中文名 |
荔枝核 |
TCM Properties |
Warm,Sweet,Punkery |
TCM Meridians |
Liver,Kidney |
Therapeutic Class English |
Regulation of qi |
Therapeutic Class Chinese |
理气 |
Functions |
promote the flow of qi and the subsidence of induration, and dispel cold and relieve pain |
Toxicity |
NA |
Geo-authentic habitats (道地产区) |
Fujian Province |
Reference |
Chinese Pharmacopoeia (2015) |
Barcode ID |
MHPAD264-08 |
Barcode Source |
BOLDSYSTEMS |
Prescription ID | Prescription English Name | Prescription Chinese Name |
---|---|---|
TCMF3891 | Bu Pi Yi Chang Pills | 补脾益肠丸 |
TCMF4501 | Jiang Tang Shu Capsules | 降糖舒胶囊 |
TCMF5717 | Sheng Li Capsules | 生力胶囊 |
TCMF617 | Bu Pi Yi Chang Pills | 补脾益肠丸 |
TCMF6172 | Xiao Er Nuan Qi Ointment | 小儿暖脐膏 |
TCMF851 | Jin Li Da Granules | 津力达颗粒 |
TCMFx1425 | Huixiang Juhe Pills | 茴香橘核丸 |
TCMFx2580 | Blood Revitalizing and Muscle Relaxing Decoction | 活血舒筋汤 |
TCMFx2592 | Ying Treasure Fries | |
TCMFx2597 | Huixiang Juhe Pills | 茴香橘核丸 |
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 |
TCMT1104 | Sortase |
TCMT1109 | Reverse transcriptase |
TCMT1121 | Sialidase |
TCMT1136 | Neuraminidase |
TCMT1208 | Escherichia coli K12 |
Ingredient ID: TCMC995
Formula: C35H60O6
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 |
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 |
Ingredient ID: TCMC845
Formula: C15H24O
Common Name | Butylated Hydroxytoluene |
IUPAC Name | 2,6-ditert-butyl-4-methylphenol |
Canonical SMILES | Cc1cc(c(c(c1)C(C)(C)C)O)C(C)(C)C |
Standard InCHI | InChI=1S/C15H24O/c1-10-8-11(14(2,3)4)13(16)12(9-10)15(5,6)7/h8-9,16H,1-7H3 |
Standard InCHIKey | NLZUEZXRPGMBCV-UHFFFAOYSA-N |
External Identifiers | ChEMBL [CHEMBL146]; PubChem [31404]; |
Reference of Component-Ingredient Pair | 24021950 |
Component ID | Latin Name | Pinyin Name | Chinese Name |
---|---|---|---|
TCMH1008 | Pogostemon cablin | Huo Xiang | 藿香 |
TCMH1009 | Pogostemon cablin | Huo Xiang Ye | 藿香叶 |
TCMH1127 | Lonicera japonica | Jin Yin Hua | 金银花 |
TCMH1128 | Lonicera japonica | Jin Yin Hua Ti Qu Ye | 金银花提取液 |
TCMH1175 | Cornus officinalis | Jiu Yu Rou | 酒萸肉 |
TCMH12 | Artemisia argyi | Ai Ye | 艾叶 |
TCMH120 | Atractylodes macrocephala | Bai Zhu | 白术 |
TCMH1264 | Litchi chinensis | Li Zhi He | 荔枝核 |
TCMH13 | Artemisia argyi | Ai Ye You | 艾叶油 |
TCMH1331 | Rhaponticum uniflorum | Lou Lu | 漏芦 |
Ingredient ID: TCMC817
Formula: C16H22O4
Common Name | Bis(2-Methylpropyl) Benzene-1,2-Dicarboxylate |
IUPAC Name | bis(2-methylpropyl) benzene-1,2-dicarboxylate |
Canonical SMILES | CC(COC(=O)c1ccccc1C(=O)OCC(C)C)C |
Standard InCHI | InChI=1S/C16H22O4/c1-11(2)9-19-15(17)13-7-5-6-8-14(13)16(18)20-10-12(3)4/h5-8,11-12H,9-10H2,1-4H3 |
Standard InCHIKey | MGWAVDBGNNKXQV-UHFFFAOYSA-N |
External Identifiers | ChEMBL [CHEMBL1370662]; PubChem [6782]; |
Reference of Component-Ingredient Pair | 29061543 |
Component ID | Latin Name | Pinyin Name | Chinese Name |
---|---|---|---|
TCMH1008 | Pogostemon cablin | Huo Xiang | 藿香 |
TCMH1009 | Pogostemon cablin | Huo Xiang Ye | 藿香叶 |
TCMH1029 | Paederia scandens | Ji Shi Teng | 鸡矢藤 |
TCMH1126 | Craibiodendron yunnanese | Jin Ye Zi | 金叶子 |
TCMH1127 | Lonicera japonica | Jin Yin Hua | 金银花 |
TCMH1128 | Lonicera japonica | Jin Yin Hua Ti Qu Ye | 金银花提取液 |
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 |
Ingredient ID: TCMC801
Formula: C29H50O
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 |
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 |
Ingredient ID: TCMC774
Formula: C7H8O
Common Name | Benzyl Alcohol |
IUPAC Name | phenylmethanol |
Canonical SMILES | OCc1ccccc1 |
Standard InCHI | InChI=1S/C7H8O/c8-6-7-4-2-1-3-5-7/h1-5,8H,6H2 |
Standard InCHIKey | WVDDGKGOMKODPV-UHFFFAOYSA-N |
External Identifiers | ChEMBL [CHEMBL720]; PubChem [244]; |
Reference of Component-Ingredient Pair | 22999809 |
Component ID | Latin Name | Pinyin Name | Chinese Name |
---|---|---|---|
TCMH1008 | Pogostemon cablin | Huo Xiang | 藿香 |
TCMH1009 | Pogostemon cablin | Huo Xiang Ye | 藿香叶 |
TCMH1126 | Craibiodendron yunnanese | Jin Ye Zi | 金叶子 |
TCMH1127 | Lonicera japonica | Jin Yin Hua | 金银花 |
TCMH1128 | Lonicera japonica | Jin Yin Hua Ti Qu Ye | 金银花提取液 |
TCMH1178 | Citrus reticulata | Ju He | 橘核 |
TCMH1184 | Citrus reticulata | Ju Pi | 橘皮 |
TCMH12 | Artemisia argyi | Ai Ye | 艾叶 |
TCMH1264 | Litchi chinensis | Li Zhi He | 荔枝核 |
TCMH13 | Artemisia argyi | Ai Ye You | 艾叶油 |
Ingredient ID: TCMC761
Formula: C7H6O
Common Name | Benzaldehyde |
IUPAC Name | benzaldehyde |
Canonical SMILES | O=Cc1ccccc1 |
Standard InCHI | InChI=1S/C7H6O/c8-6-7-4-2-1-3-5-7/h1-6H |
Standard InCHIKey | HUMNYLRZRPPJDN-UHFFFAOYSA-N |
External Identifiers | ChEMBL [CHEMBL15972]; PubChem [240]; |
Reference of Component-Ingredient Pair | 23043335 |
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 |
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 |
TCMH114 | Platycladus orientalis | Bai Ye | 柏叶 |
TCMH1142 | Schizonepetae spica | Jing Jie Sui | 荆芥穗 |
Ingredient ID: TCMC60
Formula: C10H16O
Common Name | (2E,4E)-Deca-2,4-Dienal |
IUPAC Name | (2E,4E)-deca-2,4-dienal |
Canonical SMILES | CCCCC/C=C/C=C/C=O |
Standard InCHI | InChI=1S/C10H16O/c1-2-3-4-5-6-7-8-9-10-11/h6-10H,2-5H2,1H3/b7-6+,9-8+ |
Standard InCHIKey | JZQKTMZYLHNFPL-BLHCBFLLSA-N |
External Identifiers | ChEMBL [CHEMBL443949]; PubChem [5283349]; |
Reference of Component-Ingredient Pair | 25622337 |
Component ID | Latin Name | Pinyin Name | Chinese Name |
---|---|---|---|
TCMH120 | Atractylodes macrocephala | Bai Zhu | 白术 |
TCMH1215 | Sophora flavescens | Ku Shen | 苦参 |
TCMH1264 | Litchi chinensis | Li Zhi He | 荔枝核 |
TCMH1296 | Ganoderma lucidum | Ling Zhi Jin Gao | 灵芝浸膏 |
TCMH1299 | Ganoderma lucidum | Ling Zhi(1) | 灵芝 |
TCMH130 | Pinellia ternata | Ban Xia | 半夏 |
TCMH131 | Pinellia ternata | Ban Xia Qu | 半夏曲 |
TCMH1398 | Ephedra sinica | Ma Huang | 麻黄 |
TCMH1399 | Ephedra sinica | Ma Huang Gao | 麻黄膏 |
TCMH1400 | Ephedra sinica | Ma Huang Gen | 麻黄根 |
Ingredient ID: TCMC2822
Formula: C15H24
Common Name | Alpha-Humulone |
IUPAC Name | (1E,4E,8E)-2,6,6,9-tetramethylcycloundeca-1,4,8-triene |
Canonical SMILES | C/C/1=CCC(C)(C)/C=C/C/C(=C/CC1)/C |
Standard InCHI | InChI=1S/C15H24/c1-13-7-5-8-14(2)10-12-15(3,4)11-6-9-13/h6-7,10-11H,5,8-9,12H2,1-4H3/b11-6+,13-7+,14-10+ |
Standard InCHIKey | FAMPSKZZVDUYOS-HRGUGZIWSA-N |
External Identifiers | ChEMBL [CHEMBL251280]; PubChem [5281520]; |
Reference of Component-Ingredient Pair | 29248443 |
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 |
TCMH1142 | Schizonepetae spica | Jing Jie Sui | 荆芥穗 |
TCMH1144 | Schizonepetae herba | Jing Jie Tan | 荆芥炭 |
TCMH1165 | Murraya paniculata | Jiu Li Xiang | 九里香 |
Ingredient ID: TCMC24
Formula: C15H14O6
Common Name | (+)-Epicatechin |
IUPAC Name | (2S,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-ZFWWWQNUSA-N |
External Identifiers | ChEMBL [CHEMBL129482]; PubChem [182232]; |
Reference of Component-Ingredient Pair | 20213173 |
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 |
TCMH108 | Perilla frutescens | Bai Su Zi | 白苏子 |
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 |
TCMH1135 | Rosa laevigata | Jin Ying Zi Ti Qu Ye | 金樱子提取液 |
TCMH1165 | Murraya paniculata | Jiu Li Xiang | 九里香 |
TCMH1264 | Litchi chinensis | Li Zhi He | 荔枝核 |
TCMH1275 | Nelumbo nucifera | Lian Zi | 莲子 |
Ingredient ID: TCMC2381
Formula: C8H10O
Common Name | Phenylethyl Alcohol |
IUPAC Name | 2-phenylethanol |
Canonical SMILES | OCCc1ccccc1 |
Standard InCHI | InChI=1S/C8H10O/c9-7-6-8-4-2-1-3-5-8/h1-5,9H,6-7H2 |
Standard InCHIKey | WRMNZCZEMHIOCP-UHFFFAOYSA-N |
External Identifiers | ChEMBL [CHEMBL448500]; PubChem [6054]; |
Reference of Component-Ingredient Pair | 22980851 |
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 |
TCMH1175 | Cornus officinalis | Jiu Yu Rou | 酒萸肉 |
TCMH12 | Artemisia argyi | Ai Ye | 艾叶 |
TCMH120 | Atractylodes macrocephala | Bai Zhu | 白术 |
TCMH1264 | Litchi chinensis | Li Zhi He | 荔枝核 |
TCMH13 | Artemisia argyi | Ai Ye You | 艾叶油 |
TCMH1343 | Aloe vera | Lu Hui | 芦荟 |
TCMH1466 | Rosa rugosa | Mei Gui Hua | 玫瑰花 |
Ingredient ID: TCMC2366
Formula: C15H24O
Common Name | n.a. |
IUPAC Name | n.a. |
Canonical SMILES | C=C1CC[C@@H]2O[C@@]2(CC[C@@H]2[C@@H]1CC2(C)C)C |
Standard InCHI | InChI=1S/C15H24O/c1-10-5-6-13-15(4,16-13)8-7-12-11(10)9-14(12,2)3/h11-13H,1,5-9H2,2-4H3/t11-,12-,13+,15-/m1/s1 |
Standard InCHIKey | NVEQFIOZRFFVFW-GUIRCDHDSA-N |
External Identifiers | ChEMBL [CHEMBL399036]; PubChem [1742211]; |
Reference of Component-Ingredient Pair | N/A |
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 |
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 |
TCMH114 | Platycladus orientalis | Bai Ye | 柏叶 |
TCMH1141 | Schizonepeta tenuifolia | Jing Jie | 荆芥 |
TCMH1165 | Murraya paniculata | Jiu Li Xiang | 九里香 |
Ingredient ID: TCMC2328
Formula: C15H22O
Common Name | Xanthorrizol |
IUPAC Name | 2-methyl-5-[(2R)-6-methylhept-5-en-2-yl]phenol |
Canonical SMILES | CC(=CCC[C@H](c1ccc(c(c1)O)C)C)C |
Standard InCHI | InChI=1S/C15H22O/c1-11(2)6-5-7-12(3)14-9-8-13(4)15(16)10-14/h6,8-10,12,16H,5,7H2,1-4H3/t12-/m1/s1 |
Standard InCHIKey | FKWGCEDRLNNZOZ-GFCCVEGCSA-N |
External Identifiers | ChEMBL [CHEMBL460033]; PubChem [93135]; |
Reference of Component-Ingredient Pair | N/A |
Ingredient ID: TCMC228
Formula: C6H14O2
Common Name | 1,1-Diethoxyethane |
IUPAC Name | 1,1-diethoxyethane |
Canonical SMILES | CCOC(OCC)C |
Standard InCHI | InChI=1S/C6H14O2/c1-4-7-6(3)8-5-2/h6H,4-5H2,1-3H3 |
Standard InCHIKey | DHKHKXVYLBGOIT-UHFFFAOYSA-N |
External Identifiers | ChEMBL [CHEMBL1338583]; PubChem [7765]; |
Reference of Component-Ingredient Pair | N/A |
Component ID | Latin Name | Pinyin Name | Chinese Name |
---|---|---|---|
TCMH1175 | Cornus officinalis | Jiu Yu Rou | 酒萸肉 |
TCMH1264 | Litchi chinensis | Li Zhi He | 荔枝核 |
TCMH1721 | Panax ginseng | Ren Shen | 人参 |
TCMH1728 | Panax ginseng | Ren Shen Ye | 人参叶 |
TCMH1839 | Panax ginseng | Shan Shen | 山参 |
TCMH1862 | Cornus officinalis | Shan Zhu Yu | 山茱萸 |
TCMH2056 | Cynomorium songaricum | Suo Yang | 锁阳 |
TCMH2726 | Pterocarpus indicus | Zi Tan | 紫檀 |
Ingredient ID: TCMC2107
Formula: C29H48O
Common Name | Stigmasterol |
IUPAC Name | (3S,8S,9S,10R,13R,14S,17R)-17-[(E,2R,5S)-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-PHZDYDNGSA-N |
External Identifiers | ChEMBL [CHEMBL400247]; PubChem [5280794]; |
Reference of Component-Ingredient Pair | 16261518 |
Component ID | Latin Name | Pinyin Name | Chinese Name |
---|---|---|---|
TCMH1005 | Cannabis sativa | Huo Ma Ren | 火麻仁 |
TCMH1022 | Celosia cristata | Ji Guan Hua | 鸡冠花 |
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 |
TCMH108 | Perilla frutescens | Bai Su Zi | 白苏子 |
TCMH1096 | Inula japonica | Jin Fei Cao | 金沸草 |
TCMH1121 | Cardiospermum halicacabum | Jin Si Ku Lian | 金丝苦楝 |
TCMH1142 | Schizonepetae spica | Jing Jie Sui | 荆芥穗 |
Ingredient ID: TCMC2105
Formula: C18H36O2
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 |
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 |
Ingredient ID: TCMC2031
Formula: C27H30O16
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 |
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 |
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: TCMC1955
Formula: C7H6O3
Common Name | Protocatechualdehyde |
IUPAC Name | 3,4-dihydroxybenzaldehyde |
Canonical SMILES | O=Cc1ccc(c(c1)O)O |
Standard InCHI | InChI=1S/C7H6O3/c8-4-5-1-2-6(9)7(10)3-5/h1-4,9-10H |
Standard InCHIKey | IBGBGRVKPALMCQ-UHFFFAOYSA-N |
External Identifiers | ChEMBL [CHEMBL222021]; PubChem [8768]; |
Reference of Component-Ingredient Pair | 22885041 |
Component ID | Latin Name | Pinyin Name | Chinese Name |
---|---|---|---|
TCMH10 | Blumea balsamifera | Ai Pian | 艾片 |
TCMH108 | Perilla frutescens | Bai Su Zi | 白苏子 |
TCMH11 | Blumea balsamifera | Ai Tan | 艾炭 |
TCMH1264 | Litchi chinensis | Li Zhi He | 荔枝核 |
TCMH1272 | Forsythia suspensa | Lian Qiao | 连翘 |
TCMH1285 | Orobanche coerulescens | Lie Dang | 列当 |
TCMH1296 | Ganoderma lucidum | Ling Zhi Jin Gao | 灵芝浸膏 |
TCMH1299 | Ganoderma lucidum | Ling Zhi(1) | 灵芝 |
TCMH130 | Pinellia ternata | Ban Xia | 半夏 |
TCMH131 | Pinellia ternata | Ban Xia Qu | 半夏曲 |
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: TCMC1611
Formula: C14H28O2
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 |
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 |
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: TCMC1294
Formula: C15H18
Common Name | Guaiazulene |
IUPAC Name | 1,4-dimethyl-7-propan-2-ylazulene |
Canonical SMILES | CC(c1ccc(c2c(c1)c(C)cc2)C)C |
Standard InCHI | InChI=1S/C15H18/c1-10(2)13-7-5-11(3)14-8-6-12(4)15(14)9-13/h5-10H,1-4H3 |
Standard InCHIKey | FWKQNCXZGNBPFD-UHFFFAOYSA-N |
External Identifiers | ChEMBL [CHEMBL1408759]; PubChem [3515]; |
Reference of Component-Ingredient Pair | N/A |
Component ID | Latin Name | Pinyin Name | Chinese Name |
---|---|---|---|
TCMH1264 | Litchi chinensis | Li Zhi He | 荔枝核 |
TCMH1398 | Ephedra sinica | Ma Huang | 麻黄 |
TCMH1399 | Ephedra sinica | Ma Huang Gao | 麻黄膏 |
TCMH1400 | Ephedra sinica | Ma Huang Gen | 麻黄根 |
TCMH1401 | Ephedra sinica | Ma Huang Jin Gao | 麻黄浸膏 |
TCMH1486 | Ephedra sinica | Mi Ma Huang | 蜜麻黄 |
TCMH1721 | Panax ginseng | Ren Shen | 人参 |
TCMH1728 | Panax ginseng | Ren Shen Ye | 人参叶 |
TCMH1734 | Homo sapiens | Ren Zhong Bai | 人中白 |
TCMH1839 | Panax ginseng | Shan Shen | 山参 |
Ingredient ID: TCMC1031
Formula: C16H22O4
Common Name | Dibutyl Phthalate |
IUPAC Name | dibutyl benzene-1,2-dicarboxylate |
Canonical SMILES | CCCCOC(=O)c1ccccc1C(=O)OCCCC |
Standard InCHI | InChI=1S/C16H22O4/c1-3-5-11-19-15(17)13-9-7-8-10-14(13)16(18)20-12-6-4-2/h7-10H,3-6,11-12H2,1-2H3 |
Standard InCHIKey | DOIRQSBPFJWKBE-UHFFFAOYSA-N |
External Identifiers | ChEMBL [CHEMBL272485]; PubChem [3026]; |
Reference of Component-Ingredient Pair | 29385629 |
Component ID | Latin Name | Pinyin Name | Chinese Name |
---|---|---|---|
TCMH1008 | Pogostemon cablin | Huo Xiang | 藿香 |
TCMH1009 | Pogostemon cablin | Huo Xiang Ye | 藿香叶 |
TCMH1175 | Cornus officinalis | Jiu Yu Rou | 酒萸肉 |
TCMH12 | Artemisia argyi | Ai Ye | 艾叶 |
TCMH1223 | Tussilago farfara | Kuan Dong Hua | 款冬花 |
TCMH1264 | Litchi chinensis | Li Zhi He | 荔枝核 |
TCMH1275 | Nelumbo nucifera | Lian Zi | 莲子 |
TCMH1276 | Nelumbo nucifera | Lian Zi Xin | 莲子心 |
TCMH13 | Artemisia argyi | Ai Ye You | 艾叶油 |
TCMH1437 | Rhododendron dauricum | Man Shan Hong | 满山红 |
Ingredient ID | Formulae | Name | MW | AlogP | MlogP | XlogP | # HBA | # HBD | PSA | # Rotatable Bond | # Ring | # Heacy Atom | Lipinski RO5 Violation |
---|---|---|---|---|---|---|---|---|---|---|---|---|---|
TCMC1031 | C16H22O4 | Dibutyl Phthalate | 278.15 | -1.2084 | 2.78 | 5.034 | 4 | 0 | 52.6 | 12 | 1 | 20 | 1 |
TCMC1294 | C15H18 | Guaiazulene | 198.14 | 1.8569 | 3.11 | 7.984 | 0 | 0 | 0 | 5 | 2 | 15 | 1 |
TCMC1495 | C18H32O2 | Linoleic Acid | 280.24 | -0.9485 | 3.22 | 7.865 | 2 | 1 | 37.3 | 16 | 0 | 20 | 2 |
TCMC1611 | C14H28O2 | Myristic Acid | 228.21 | -3.3217 | 2.78 | 6.432 | 2 | 1 | 37.3 | 14 | 0 | 16 | 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 |
TCMC1955 | C7H6O3 | Protocatechualdehyde | 138.03 | -1.113 | 1.9 | 0.95 | 1 | 2 | 57.53 | 3 | 1 | 10 | 0 |
TCMC1982 | C15H10O7 | Quercetin | 302.04 | -2.8012 | 2.34 | 1.381 | 2 | 5 | 127.45 | 6 | 3 | 22 | 0 |
TCMC2031 | C27H30O16 | Rutin | 610.15 | -6.139 | 2.67 | -1.188 | 11 | 10 | 265.52 | 17 | 5 | 43 | 2 |
TCMC2105 | C18H36O2 | Stearic Acid | 284.27 | -4.4737 | 3.22 | 8.708 | 2 | 1 | 37.3 | 18 | 0 | 20 | 2 |