Component ID |
TCMH132 |
Latin Name |
Scutellaria barbata |
English Name |
Barbed skullcap |
Chinese Pinyin Name |
Ban Zhi Lian |
中文名 |
半枝莲 |
TCM Properties |
Cold,Pungent,Slightly Bitter |
TCM Meridians |
Lung,Liver,Kidney |
Therapeutic Class English |
Antitumor |
Therapeutic Class Chinese |
抗肿瘤 |
Functions |
remove toxic heat, and cause diuresis |
Toxicity |
NA |
Geo-authentic habitats (道地产区) |
Jiangxi Province |
Reference |
Chinese Pharmacopoeia (2015) |
Barcode ID |
ITSAN1801-14 |
Barcode Source |
BOLDSYSTEMS |
Prescription ID | Prescription English Name | Prescription Chinese Name |
---|---|---|
TCMF1034 | Zi Long Jin Tablet | 紫龙金片 |
TCMF1225 | Reyanning Granules | 热炎宁颗粒 |
TCMF1582 | Reyanning Granules | 热炎宁颗粒 |
TCMF1941 | Clearing and Benefiting Decoction | |
TCMF1942 | JLMG Nephritis Decoction | |
TCMF3221 | Fu Fang Ban Mao Capsules | 复方斑蝥胶囊 |
TCMF4098 | Kang Gu Sui Yan Tablets | 抗骨髓炎片 |
TCMF52 | Kang Gu Sui Yan Tablets | 抗骨髄炎片 |
TCMF5375 | Re Yan Ning Infusion | 热炎宁冲剂 |
TCMF6053 | Xiao He Tablets | 消核片 |
Target ID | Gene Symbol | Target Name | Target Class | Uniprot ID |
---|---|---|---|---|
TCMT1 | EHMT2 | Histone-lysine N-methyltransferase, H3 lysine-9 specific 3 | Transferase | Q96KQ7 |
TCMT100 | TTR | Transthyretin | Unclassified | P02766 |
TCMT101 | PTPN1 | Protein-tyrosine phosphatase 1B | Hydrolase | P18031 |
TCMT103 | PTPRF | Receptor-type tyrosine-protein phosphatase F (LAR) | Hydrolase | P10586 |
TCMT11 | HIF1A | Hypoxia-inducible factor 1 alpha | Transcription factor | Q16665 |
TCMT113 | OPRD1 | Delta opioid receptor | GPCR | P41143 |
TCMT114 | CNR2 | Cannabinoid CB2 receptor | GPCR | P34972 |
TCMT115 | CNR1 | Cannabinoid CB1 receptor | GPCR | P21554 |
TCMT117 | OPRK1 | Kappa opioid receptor | GPCR | P41145 |
TCMT125 | GBA | Beta-glucocerebrosidase | Hydrolase | P04062 |
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 |
TCMT1121 | Sialidase |
TCMT1178 | Actinomyces viscosus |
TCMT1189 | Pseudomonas fluorescens |
TCMT1209 | Staphylococcus haemolyticus |
Ingredient ID: TCMC948
Formula: C9H8O3
Common Name | Coumaric Acid |
IUPAC Name | (E)-3-(4-hydroxyphenyl)prop-2-enoic acid |
Canonical SMILES | OC(=O)/C=C/c1ccc(cc1)O |
Standard InCHI | InChI=1S/C9H8O3/c10-8-4-1-7(2-5-8)3-6-9(11)12/h1-6,10H,(H,11,12)/b6-3+ |
Standard InCHIKey | NGSWKAQJJWESNS-ZZXKWVIFSA-N |
External Identifiers | ChEMBL [CHEMBL66879]; PubChem [637542]; |
Reference of Component-Ingredient Pair | 23800587 |
Component ID | Latin Name | Pinyin Name | Chinese Name |
---|---|---|---|
TCMH101 | Chelidonium majus | Bai Qu Cai | 白屈菜 |
TCMH1033 | Centella asiatica | Ji Xue Cao | 积雪草 |
TCMH1096 | Inula japonica | Jin Fei Cao | 金沸草 |
TCMH1117 | Rhizoma fagopyri cymosi | Jin Qiao Mai | 金荞麦 |
TCMH1118 | Lygodium japonicum | Jin Sha Teng | 金沙藤 |
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 |
TCMH1144 | Schizonepetae herba | Jing Jie Tan | 荆芥炭 |
TCMH1146 | Oryza sativa | Jing Mi | 粳米 |
Ingredient ID: TCMC916
Formula: C9H8O2
Common Name | Cinnamic Acid |
IUPAC Name | (E)-3-phenylprop-2-enoic acid |
Canonical SMILES | OC(=O)/C=C/c1ccccc1 |
Standard InCHI | InChI=1S/C9H8O2/c10-9(11)7-6-8-4-2-1-3-5-8/h1-7H,(H,10,11)/b7-6+ |
Standard InCHIKey | WBYWAXJHAXSJNI-VOTSOKGWSA-N |
External Identifiers | ChEMBL [CHEMBL27246]; PubChem [444539]; |
Reference of Component-Ingredient Pair | 16497524 |
Component ID | Latin Name | Pinyin Name | Chinese Name |
---|---|---|---|
TCMH1000 | Foeniculum vulgare | Hui Xiang | 茴香 |
TCMH1045 | Piper sarmentosum | Jia Ju | 假蒟 |
TCMH1051 | Piper sarmentosum | Jia 蒟ye | 假蒟叶 |
TCMH1127 | Lonicera japonica | Jin Yin Hua | 金银花 |
TCMH1128 | Lonicera japonica | Jin Yin Hua Ti Qu Ye | 金银花提取液 |
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 |
TCMH1275 | Nelumbo nucifera | Lian Zi | 莲子 |
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: TCMC857
Formula: C10H16O
Common Name | Camphor |
IUPAC Name | (1R,4R)-4,7,7-trimethylbicyclo[2.2.1]heptan-3-one |
Canonical SMILES | O=C1C[C@@H]2C([C@@]1(C)CC2)(C)C |
Standard InCHI | InChI=1S/C10H16O/c1-9(2)7-4-5-10(9,3)8(11)6-7/h7H,4-6H2,1-3H3/t7-,10+/m1/s1 |
Standard InCHIKey | DSSYKIVIOFKYAU-XCBNKYQSSA-N |
External Identifiers | ChEMBL [CHEMBL504760]; PubChem [159055]; |
Reference of Component-Ingredient Pair | 21162008 |
Component ID | Latin Name | Pinyin Name | Chinese Name |
---|---|---|---|
TCMH1000 | Foeniculum vulgare | Hui Xiang | 茴香 |
TCMH1005 | Cannabis sativa | Huo Ma Ren | 火麻仁 |
TCMH1063 | Curcuma longa | Jiang Huang | 姜黄 |
TCMH1117 | Rhizoma fagopyri cymosi | Jin Qiao Mai | 金荞麦 |
TCMH1178 | Citrus reticulata | Ju He | 橘核 |
TCMH1184 | Citrus reticulata | Ju Pi | 橘皮 |
TCMH12 | Artemisia argyi | Ai Ye | 艾叶 |
TCMH1272 | Forsythia suspensa | Lian Qiao | 连翘 |
TCMH13 | Artemisia argyi | Ai Ye You | 艾叶油 |
TCMH132 | Scutellaria barbata | Ban Zhi Lian | 半枝莲 |
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: TCMC756
Formula: C21H18O11
Common Name | Baicalin |
IUPAC Name | (2S,3S,4S,5R,6S)-6-(5,6-dihydroxy-4-oxo-2-phenylchromen-7-yl)oxy-3,4,5-trihydroxyoxane-2-carboxylic acid |
Canonical SMILES | OC(=O)[C@H]1O[C@@H](Oc2cc3oc(cc(=O)c3c(c2O)O)c2ccccc2)[C@@H]([C@H]([C@@H]1O)O)O |
Standard InCHI | InChI=1S/C21H18O11/c22-9-6-10(8-4-2-1-3-5-8)30-11-7-12(14(23)15(24)13(9)11)31-21-18(27)16(25)17(26)19(32-21)20(28)29/h1-7,16-19,21,23-27H,(H,28,29)/t16-,17-,18+,19-,21+/m0/s1 |
Standard InCHIKey | IKIIZLYTISPENI-ZFORQUDYSA-N |
External Identifiers | ChEMBL [CHEMBL485818]; PubChem [64982]; |
Reference of Component-Ingredient Pair | 27019979 |
Component ID | Latin Name | Pinyin Name | Chinese Name |
---|---|---|---|
TCMH1181 | Chrysanthemum morifolium | Ju Hua | 菊花 |
TCMH132 | Scutellaria barbata | Ban Zhi Lian | 半枝莲 |
TCMH1396 | Portulaca oleracea | Ma Chi Xian | 马齿苋 |
TCMH1519 | Oroxylum indicum | Mu Hu Die | 木蝴蝶 |
TCMH1622 | Scutellaria baicalensis | Pian Qin | 片芩 |
TCMH1865 | Paeonia obovata | Shao Yao | 芍药 |
TCMH1965 | Rheum palmatum | Shu Da Huang | 熟大黄 |
TCMH2071 | Prunus persica | Tao | 桃 |
TCMH2073 | Prunus persica | Tao Ren | 桃仁 |
TCMH2074 | Prunus persica | Tao Ren Shuang | 桃仁霜 |
Ingredient ID: TCMC755
Formula: C15H10O5
Common Name | Baicalein |
IUPAC Name | 5,6,7-trihydroxy-2-phenylchromen-4-one |
Canonical SMILES | Oc1cc2oc(cc(=O)c2c(c1O)O)c1ccccc1 |
Standard InCHI | InChI=1S/C15H10O5/c16-9-6-11(8-4-2-1-3-5-8)20-12-7-10(17)14(18)15(19)13(9)12/h1-7,17-19H |
Standard InCHIKey | FXNFHKRTJBSTCS-UHFFFAOYSA-N |
External Identifiers | ChEMBL [CHEMBL8260]; PubChem [5281605]; |
Reference of Component-Ingredient Pair | 25349334 |
Component ID | Latin Name | Pinyin Name | Chinese Name |
---|---|---|---|
TCMH132 | Scutellaria barbata | Ban Zhi Lian | 半枝莲 |
TCMH1519 | Oroxylum indicum | Mu Hu Die | 木蝴蝶 |
TCMH1622 | Scutellaria baicalensis | Pian Qin | 片芩 |
TCMH1865 | Paeonia obovata | Shao Yao | 芍药 |
TCMH1965 | Rheum palmatum | Shu Da Huang | 熟大黄 |
TCMH2071 | Prunus persica | Tao | 桃 |
TCMH2073 | Prunus persica | Tao Ren | 桃仁 |
TCMH2074 | Prunus persica | Tao Ren Shuang | 桃仁霜 |
TCMH2077 | Prunus persica | Tao Zhi | 桃枝 |
TCMH258 | Paeonia obovata | Chi Shao | 赤芍 |
Ingredient ID: TCMC711
Formula: C21H20O10
Common Name | Apigetrin |
IUPAC Name | 5-hydroxy-2-(4-hydroxyphenyl)-7-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxychromen-4-one |
Canonical SMILES | OC[C@H]1O[C@@H](Oc2cc(O)c3c(c2)oc(cc3=O)c2ccc(cc2)O)[C@@H]([C@H]([C@@H]1O)O)O |
Standard InCHI | InChI=1S/C21H20O10/c22-8-16-18(26)19(27)20(28)21(31-16)29-11-5-12(24)17-13(25)7-14(30-15(17)6-11)9-1-3-10(23)4-2-9/h1-7,16,18-24,26-28H,8H2/t16-,18-,19+,20-,21-/m1/s1 |
Standard InCHIKey | KMOUJOKENFFTPU-QNDFHXLGSA-N |
External Identifiers | ChEMBL [CHEMBL487017]; PubChem [5280704]; |
Reference of Component-Ingredient Pair | 20575388 |
Component ID | Latin Name | Pinyin Name | Chinese Name |
---|---|---|---|
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 |
TCMH1144 | Schizonepetae herba | Jing Jie Tan | 荆芥炭 |
TCMH1181 | Chrysanthemum morifolium | Ju Hua | 菊花 |
TCMH122 | Lobelia chinensis | Ban Bian Lian | 半边莲 |
TCMH132 | Scutellaria barbata | Ban Zhi Lian | 半枝莲 |
TCMH1466 | Rosa rugosa | Mei Gui Hua | 玫瑰花 |
TCMH1487 | Buddleja officinalis | Mi Meng Hua | 密蒙花 |
TCMH1714 | Lonicera japonica | Ren Dong Teng | 忍冬藤 |
Ingredient ID: TCMC710
Formula: C15H10O5
Common Name | Apigenin |
IUPAC Name | 5,7-dihydroxy-2-(4-hydroxyphenyl)chromen-4-one |
Canonical SMILES | Oc1ccc(cc1)c1cc(=O)c2c(o1)cc(cc2O)O |
Standard InCHI | InChI=1S/C15H10O5/c16-9-3-1-8(2-4-9)13-7-12(19)15-11(18)5-10(17)6-14(15)20-13/h1-7,16-18H |
Standard InCHIKey | KZNIFHPLKGYRTM-UHFFFAOYSA-N |
External Identifiers | ChEMBL [CHEMBL28]; PubChem [5280443]; |
Reference of Component-Ingredient Pair | 29162470 |
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 |
TCMH1059 | Glycine max | Jiang | 姜 |
TCMH1062 | Glycine max | Jiang Gao | 姜膏 |
TCMH1067 | Glycine max | Jiang Tan | 姜炭 |
TCMH108 | Perilla frutescens | Bai Su Zi | 白苏子 |
TCMH1105 | Trollius chinensis | Jin Lian Hua | 金莲花 |
TCMH1127 | Lonicera japonica | Jin Yin Hua | 金银花 |
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: TCMC6208
Formula: C17H14O5
Common Name | 7-Hydroxy-5,8-Dimethoxyflavone |
IUPAC Name | 7-hydroxy-5,8-dimethoxy-2-phenylchromen-4-one |
Canonical SMILES | COc1c(O)cc(c2c1oc(cc2=O)c1ccccc1)OC |
Standard InCHI | InChI=1S/C17H14O5/c1-20-14-9-12(19)16(21-2)17-15(14)11(18)8-13(22-17)10-6-4-3-5-7-10/h3-9,19H,1-2H3 |
Standard InCHIKey | NZOUUYOSKJFMKB-UHFFFAOYSA-N |
External Identifiers | ChEMBL [N/A]; PubChem [14825644]; |
Reference of Component-Ingredient Pair | 21815419 |
Ingredient ID: TCMC613
Formula: C8H8O
Common Name | Acetophenone |
IUPAC Name | 1-phenylethanone |
Canonical SMILES | CC(=O)c1ccccc1 |
Standard InCHI | InChI=1S/C8H8O/c1-7(9)8-5-3-2-4-6-8/h2-6H,1H3 |
Standard InCHIKey | KWOLFJPFCHCOCG-UHFFFAOYSA-N |
External Identifiers | ChEMBL [CHEMBL274467]; PubChem [7410]; |
Reference of Component-Ingredient Pair | 23031090 |
Component ID | Latin Name | Pinyin Name | Chinese Name |
---|---|---|---|
TCMH1185 | Lycium chinense | Gou Qi | 枸杞 |
TCMH1186 | Lycium chinense | Gou Qi Zi | 枸杞子 |
TCMH120 | Atractylodes macrocephala | Bai Zhu | 白术 |
TCMH132 | Scutellaria barbata | Ban Zhi Lian | 半枝莲 |
TCMH1343 | Aloe vera | Lu Hui | 芦荟 |
TCMH1734 | Homo sapiens | Ren Zhong Bai | 人中白 |
TCMH1770 | Panax notoginseng | San Qi Gan Jin Gao | 三七干浸膏 |
TCMH1771 | Panax notoginseng | San Qi Gao Fen | 三七膏粉 |
TCMH1772 | Panax notoginseng | San Qi Hua | 三七花 |
TCMH1774 | Panax notoginseng | San Qi Jing Ye | 三七茎叶 |
Ingredient ID: TCMC6035
Formula: C18H16O7
Common Name | Rivularin |
IUPAC Name | 5-hydroxy-2-(2-hydroxy-6-methoxyphenyl)-7,8-dimethoxychromen-4-one |
Canonical SMILES | COc1cccc(c1c1cc(=O)c2c(o1)c(OC)c(cc2O)OC)O |
Standard InCHI | InChI=1S/C18H16O7/c1-22-12-6-4-5-9(19)16(12)13-7-10(20)15-11(21)8-14(23-2)17(24-3)18(15)25-13/h4-8,19,21H,1-3H3 |
Standard InCHIKey | IYMNRCWUEDWTPE-UHFFFAOYSA-N |
External Identifiers | ChEMBL [N/A]; PubChem [13889022]; |
Reference of Component-Ingredient Pair | N/A |
Ingredient ID: TCMC548
Formula: C28H34O15
Common Name | 5-Hydroxy-2-(3-Hydroxy-4-Methoxyphenyl)-7-[3,4,5-Trihydroxy-6-[(3,4,5-Trihydroxy-6-Methyloxan-2-Yl)Oxymethyl]Oxan-2-Yl]Oxy-2,3-Dihydrochromen-4-One |
IUPAC Name | 5-hydroxy-2-(3-hydroxy-4-methoxyphenyl)-7-[3,4,5-trihydroxy-6-[(3,4,5-trihydroxy-6-methyloxan-2-yl)oxymethyl]oxan-2-yl]oxy-2,3-dihydrochromen-4-one |
Canonical SMILES | COc1ccc(cc1O)C1CC(=O)c2c(O1)cc(cc2O)OC1OC(COC2OC(C)C(C(C2O)O)O)C(C(C1O)O)O |
Standard InCHI | InChI=1S/C28H34O15/c1-10-21(32)23(34)25(36)27(40-10)39-9-19-22(33)24(35)26(37)28(43-19)41-12-6-14(30)20-15(31)8-17(42-18(20)7-12)11-3-4-16(38-2)13(29)5-11/h3-7,10,17,19,21-30,32-37H,8-9H2,1-2H3 |
Standard InCHIKey | QUQPHWDTPGMPEX-UHFFFAOYSA-N |
External Identifiers | ChEMBL [CHEMBL1535112]; PubChem [3594]; |
Reference of Component-Ingredient Pair | N/A |
Component ID | Latin Name | Pinyin Name | Chinese Name |
---|---|---|---|
TCMH1141 | Schizonepeta tenuifolia | Jing Jie | 荆芥 |
TCMH1178 | Citrus reticulata | Ju He | 橘核 |
TCMH1184 | Citrus reticulata | Ju Pi | 橘皮 |
TCMH122 | Lobelia chinensis | Ban Bian Lian | 半边莲 |
TCMH1272 | Forsythia suspensa | Lian Qiao | 连翘 |
TCMH132 | Scutellaria barbata | Ban Zhi Lian | 半枝莲 |
TCMH1396 | Portulaca oleracea | Ma Chi Xian | 马齿苋 |
TCMH1632 | Taraxacum mongolicum | Pu Gong Ying | 蒲公英 |
TCMH1633 | Taraxacum mongolicum | Pu Gong Ying Jin Gao | 蒲公英浸膏 |
TCMH1965 | Rheum palmatum | Shu Da Huang | 熟大黄 |
Ingredient ID: TCMC534
Formula: C16H14O5
Common Name | 5,7-Dihydroxy-6-Methoxy-2-Phenyl-2,3-Dihydrochromen-4-One |
IUPAC Name | 5,7-dihydroxy-6-methoxy-2-phenyl-2,3-dihydrochromen-4-one |
Canonical SMILES | COc1c(O)cc2c(c1O)C(=O)CC(O2)c1ccccc1 |
Standard InCHI | InChI=1S/C16H14O5/c1-20-16-11(18)8-13-14(15(16)19)10(17)7-12(21-13)9-5-3-2-4-6-9/h2-6,8,12,18-19H,7H2,1H3 |
Standard InCHIKey | QUAPPCXFYKSDSV-UHFFFAOYSA-N |
External Identifiers | ChEMBL [CHEMBL1517942]; PubChem [5316733]; |
Reference of Component-Ingredient Pair | N/A |
Component ID | Latin Name | Pinyin Name | Chinese Name |
---|---|---|---|
TCMH132 | Scutellaria barbata | Ban Zhi Lian | 半枝莲 |
TCMH1622 | Scutellaria baicalensis | Pian Qin | 片芩 |
TCMH986 | Scutellaria baicalensis | Huang Qin | 黄芩 |
TCMH989 | Scutellaria baicalensis | Huang Qin Jin Gao | 黄芩浸膏 |
TCMH990 | Scutellaria baicalensis | Huang Qin Jin Gao Fen | 黄芩浸膏粉 |
TCMH992 | Scutellaria baicalensis | Huang Qin Tan | 黄芩炭 |
Ingredient ID: TCMC525
Formula: C15H12O5
Common Name | 5,7-Dihydroxy-2-(4-Hydroxyphenyl)-2,3-Dihydrochromen-4-One |
IUPAC Name | 5,7-dihydroxy-2-(4-hydroxyphenyl)-2,3-dihydrochromen-4-one |
Canonical SMILES | Oc1ccc(cc1)C1CC(=O)c2c(O1)cc(cc2O)O |
Standard InCHI | InChI=1S/C15H12O5/c16-9-3-1-8(2-4-9)13-7-12(19)15-11(18)5-10(17)6-14(15)20-13/h1-6,13,16-18H,7H2 |
Standard InCHIKey | FTVWIRXFELQLPI-UHFFFAOYSA-N |
External Identifiers | ChEMBL [CHEMBL32571]; PubChem [932]; |
Reference of Component-Ingredient Pair | 26884060 |
Component ID | Latin Name | Pinyin Name | Chinese Name |
---|---|---|---|
TCMH1000 | Foeniculum vulgare | Hui Xiang | 茴香 |
TCMH132 | Scutellaria barbata | Ban Zhi Lian | 半枝莲 |
TCMH1322 | Solanum nigrum | Long Kui | 龙葵 |
TCMH1437 | Rhododendron dauricum | Man Shan Hong | 满山红 |
TCMH1475 | Glycyrrhiza uralensis | Mi Gan Cao | 蜜甘草 |
TCMH1899 | Glycyrrhiza uralensis | Sheng Gan Cao | 生甘草 |
TCMH1903 | Zingiber officinale | Sheng Jiang | 生姜 |
TCMH2071 | Prunus persica | Tao | 桃 |
TCMH2073 | Prunus persica | Tao Ren | 桃仁 |
TCMH2074 | Prunus persica | Tao Ren Shuang | 桃仁霜 |
Ingredient ID: TCMC522
Formula: C15H10O5
Common Name | 5,7-Dihydroxy-2-(2-Hydroxyphenyl)Chromen-4-One |
IUPAC Name | 5,7-dihydroxy-2-(2-hydroxyphenyl)chromen-4-one |
Canonical SMILES | Oc1cc(O)c2c(c1)oc(cc2=O)c1ccccc1O |
Standard InCHI | InChI=1S/C15H10O5/c16-8-5-11(18)15-12(19)7-13(20-14(15)6-8)9-3-1-2-4-10(9)17/h1-7,16-18H |
Standard InCHIKey | OFYPDAKTVZXXPC-UHFFFAOYSA-N |
External Identifiers | ChEMBL [CHEMBL242385]; PubChem [5322064]; |
Reference of Component-Ingredient Pair | 16595941 |
Component ID | Latin Name | Pinyin Name | Chinese Name |
---|---|---|---|
TCMH132 | Scutellaria barbata | Ban Zhi Lian | 半枝莲 |
TCMH1622 | Scutellaria baicalensis | Pian Qin | 片芩 |
TCMH986 | Scutellaria baicalensis | Huang Qin | 黄芩 |
TCMH989 | Scutellaria baicalensis | Huang Qin Jin Gao | 黄芩浸膏 |
TCMH990 | Scutellaria baicalensis | Huang Qin Jin Gao Fen | 黄芩浸膏粉 |
TCMH992 | Scutellaria baicalensis | Huang Qin Tan | 黄芩炭 |
Ingredient ID: TCMC5198
Formula: C9H10O2
Common Name | P-Hydroxybenzyl Acetone |
IUPAC Name | 1-(4-hydroxyphenyl)propan-2-one |
Canonical SMILES | CC(=O)Cc1ccc(cc1)O |
Standard InCHI | InChI=1S/C9H10O2/c1-7(10)6-8-2-4-9(11)5-3-8/h2-5,11H,6H2,1H3 |
Standard InCHIKey | VWMVAQHMFFZQGD-UHFFFAOYSA-N |
External Identifiers | ChEMBL [CHEMBL1090553]; PubChem [7019274]; |
Reference of Component-Ingredient Pair | 28368003 |
Ingredient ID: TCMC495
Formula: C7H6O2
Common Name | 4-Hydroxybenzaldehyde |
IUPAC Name | 4-hydroxybenzaldehyde |
Canonical SMILES | O=Cc1ccc(cc1)O |
Standard InCHI | InChI=1S/C7H6O2/c8-5-6-1-3-7(9)4-2-6/h1-5,9H |
Standard InCHIKey | RGHHSNMVTDWUBI-UHFFFAOYSA-N |
External Identifiers | ChEMBL [CHEMBL14193]; PubChem [126]; |
Reference of Component-Ingredient Pair | 23266278 |
Component ID | Latin Name | Pinyin Name | Chinese Name |
---|---|---|---|
TCMH1086 | Sambucus williamsii | Jie Gu Mu | 接骨木 |
TCMH1117 | Rhizoma fagopyri cymosi | Jin Qiao Mai | 金荞麦 |
TCMH1127 | Lonicera japonica | Jin Yin Hua | 金银花 |
TCMH1128 | Lonicera japonica | Jin Yin Hua Ti Qu Ye | 金银花提取液 |
TCMH123 | Pteris semipinnata | Ban Bian Qi | 半边旗 |
TCMH1305 | Laggera alata | Liu Ling Ju | 六棱菊 |
TCMH132 | Scutellaria barbata | Ban Zhi Lian | 半枝莲 |
TCMH1339 | Phragmites communis | Lu Gen | 芦根 |
TCMH143 | Albizia julibrissin | Bei He Huan | 北合欢 |
TCMH1489 | Papaver somniferum | Mi Ying Su Ke | 蜜罂粟壳 |
Ingredient ID: TCMC494
Formula: C8H8O2
Common Name | 4-Hydroxyacetophenone |
IUPAC Name | 1-(4-hydroxyphenyl)ethanone |
Canonical SMILES | CC(=O)c1ccc(cc1)O |
Standard InCHI | InChI=1S/C8H8O2/c1-6(9)7-2-4-8(10)5-3-7/h2-5,10H,1H3 |
Standard InCHIKey | TXFPEBPIARQUIG-UHFFFAOYSA-N |
External Identifiers | ChEMBL [CHEMBL201083]; PubChem [7469]; |
Reference of Component-Ingredient Pair | 22155596 |
Component ID | Latin Name | Pinyin Name | Chinese Name |
---|---|---|---|
TCMH110 | Cynanchum atratum | Bai Wei | 白薇 |
TCMH1105 | Trollius chinensis | Jin Lian Hua | 金莲花 |
TCMH1185 | Lycium chinense | Gou Qi | 枸杞 |
TCMH1186 | Lycium chinense | Gou Qi Zi | 枸杞子 |
TCMH132 | Scutellaria barbata | Ban Zhi Lian | 半枝莲 |
TCMH1437 | Rhododendron dauricum | Man Shan Hong | 满山红 |
TCMH1519 | Oroxylum indicum | Mu Hu Die | 木蝴蝶 |
TCMH1660 | Senecio scandens | Qian Li Guang | 千里光 |
TCMH1770 | Panax notoginseng | San Qi Gan Jin Gao | 三七干浸膏 |
TCMH1771 | Panax notoginseng | San Qi Gao Fen | 三七膏粉 |
Ingredient ID: TCMC473
Formula: C10H16O
Common Name | 4,7,7-Trimethylbicyclo[2.2.1]Heptan-3-One |
IUPAC Name | 4,7,7-trimethylbicyclo[2.2.1]heptan-3-one |
Canonical SMILES | O=C1CC2C(C1(C)CC2)(C)C |
Standard InCHI | InChI=1S/C10H16O/c1-9(2)7-4-5-10(9,3)8(11)6-7/h7H,4-6H2,1-3H3 |
Standard InCHIKey | DSSYKIVIOFKYAU-UHFFFAOYSA-N |
External Identifiers | ChEMBL [CHEMBL15768]; PubChem [2537]; |
Reference of Component-Ingredient Pair | 25636489 |
Component ID | Latin Name | Pinyin Name | Chinese Name |
---|---|---|---|
TCMH1000 | Foeniculum vulgare | Hui Xiang | 茴香 |
TCMH1063 | Curcuma longa | Jiang Huang | 姜黄 |
TCMH1178 | Citrus reticulata | Ju He | 橘核 |
TCMH1184 | Citrus reticulata | Ju Pi | 橘皮 |
TCMH12 | Artemisia argyi | Ai Ye | 艾叶 |
TCMH1272 | Forsythia suspensa | Lian Qiao | 连翘 |
TCMH13 | Artemisia argyi | Ai Ye You | 艾叶油 |
TCMH132 | Scutellaria barbata | Ban Zhi Lian | 半枝莲 |
TCMH1343 | Aloe vera | Lu Hui | 芦荟 |
TCMH1393 | Verbena officinalis | Ma Bian Cao | 马鞭草 |
Ingredient ID: TCMC419
Formula: C10H10O3
Common Name | 3,4-Dihydroxybenzalacetone |
IUPAC Name | (E)-4-(3,4-dihydroxyphenyl)but-3-en-2-one |
Canonical SMILES | CC(=O)/C=C/c1ccc(c(c1)O)O |
Standard InCHI | InChI=1S/C10H10O3/c1-7(11)2-3-8-4-5-9(12)10(13)6-8/h2-6,12-13H,1H3/b3-2+ |
Standard InCHIKey | YIFZKRGUGKLILR-NSCUHMNNSA-N |
External Identifiers | ChEMBL [CHEMBL75390]; PubChem [9942292]; |
Reference of Component-Ingredient Pair | N/A |
Ingredient ID: TCMC395
Formula: C9H16O
Common Name | 2-Nonenal |
IUPAC Name | (E)-non-2-enal |
Canonical SMILES | CCCCCC/C=C/C=O |
Standard InCHI | InChI=1S/C9H16O/c1-2-3-4-5-6-7-8-9-10/h7-9H,2-6H2,1H3/b8-7+ |
Standard InCHIKey | BSAIUMLZVGUGKX-BQYQJAHWSA-N |
External Identifiers | ChEMBL [CHEMBL450072]; PubChem [5283335]; |
Reference of Component-Ingredient Pair | 20619253 |
Component ID | Latin Name | Pinyin Name | Chinese Name |
---|---|---|---|
TCMH1211 | Melia azedarach | Ku Lian Pi | 苦楝皮 |
TCMH1212 | Melia azedarach | Ku Lian Zi | 苦楝子 |
TCMH122 | Lobelia chinensis | Ban Bian Lian | 半边莲 |
TCMH132 | Scutellaria barbata | Ban Zhi Lian | 半枝莲 |
TCMH1343 | Aloe vera | Lu Hui | 芦荟 |
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 |
Ingredient ID: TCMC3699
Formula: C15H12O6
Common Name | Carthamidin |
IUPAC Name | (2S)-5,6,7-trihydroxy-2-(4-hydroxyphenyl)-2,3-dihydrochromen-4-one |
Canonical SMILES | Oc1ccc(cc1)[C@@H]1CC(=O)c2c(O1)cc(c(c2O)O)O |
Standard InCHI | InChI=1S/C15H12O6/c16-8-3-1-7(2-4-8)11-5-9(17)13-12(21-11)6-10(18)14(19)15(13)20/h1-4,6,11,16,18-20H,5H2/t11-/m0/s1 |
Standard InCHIKey | NPLTVGMLNDMOQE-NSHDSACASA-N |
External Identifiers | ChEMBL [N/A]; PubChem [188308]; |
Reference of Component-Ingredient Pair | 24615525 |
Ingredient ID: TCMC304
Formula: C10H18O
Common Name | 2-(4-Methylcyclohex-3-En-1-Yl)Propan-2-Ol |
IUPAC Name | 2-(4-methylcyclohex-3-en-1-yl)propan-2-ol |
Canonical SMILES | CC1=CCC(CC1)C(O)(C)C |
Standard InCHI | InChI=1S/C10H18O/c1-8-4-6-9(7-5-8)10(2,3)11/h4,9,11H,5-7H2,1-3H3 |
Standard InCHIKey | WUOACPNHFRMFPN-UHFFFAOYSA-N |
External Identifiers | ChEMBL [CHEMBL449810]; PubChem [17100]; |
Reference of Component-Ingredient Pair | 26795242 |
Component ID | Latin Name | Pinyin Name | Chinese Name |
---|---|---|---|
TCMH1063 | Curcuma longa | Jiang Huang | 姜黄 |
TCMH1064 | Coptis chinensis | Jiang Huang Lian | 姜黄连 |
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 |
TCMH1161 | Coptis chinensis | Jiu Huang Lian | 酒黄连 |
TCMH1165 | Murraya paniculata | Jiu Li Xiang | 九里香 |
TCMH1178 | Citrus reticulata | Ju He | 橘核 |
TCMH1184 | Citrus reticulata | Ju Pi | 橘皮 |
TCMH12 | Artemisia argyi | Ai Ye | 艾叶 |
Ingredient ID: TCMC2815
Formula: C15H24
Common Name | Caryophyllene |
IUPAC Name | (1R,4Z,9S)-4,11,11-trimethyl-8-methylidenebicyclo[7.2.0]undec-4-ene |
Canonical SMILES | C/C/1=C/CCC(=C)[C@@H]2[C@@H](CC1)C(C2)(C)C |
Standard InCHI | InChI=1S/C15H24/c1-11-6-5-7-12(2)13-10-15(3,4)14(13)9-8-11/h6,13-14H,2,5,7-10H2,1,3-4H3/b11-6-/t13-,14-/m1/s1 |
Standard InCHIKey | NPNUFJAVOOONJE-FLFDDASRSA-N |
External Identifiers | ChEMBL [CHEMBL448700]; PubChem [5281522]; |
Reference of Component-Ingredient Pair | 26424685 |
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 |
TCMH108 | Perilla frutescens | Bai Su Zi | 白苏子 |
TCMH1165 | Murraya paniculata | Jiu Li Xiang | 九里香 |
TCMH1178 | Citrus reticulata | Ju He | 橘核 |
TCMH1184 | Citrus reticulata | Ju Pi | 橘皮 |
TCMH12 | Artemisia argyi | Ai Ye | 艾叶 |
TCMH13 | Artemisia argyi | Ai Ye You | 艾叶油 |
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: TCMC274
Formula: C6H14O
Common Name | 1-Hexanol |
IUPAC Name | hexan-1-ol |
Canonical SMILES | CCCCCCO |
Standard InCHI | InChI=1S/C6H14O/c1-2-3-4-5-6-7/h7H,2-6H2,1H3 |
Standard InCHIKey | ZSIAUFGUXNUGDI-UHFFFAOYSA-N |
External Identifiers | ChEMBL [CHEMBL14085]; PubChem [8103]; |
Reference of Component-Ingredient Pair | 22970999 |
Component ID | Latin Name | Pinyin Name | Chinese Name |
---|---|---|---|
TCMH108 | Perilla frutescens | Bai Su Zi | 白苏子 |
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 |
TCMH1185 | Lycium chinense | Gou Qi | 枸杞 |
TCMH1186 | Lycium chinense | Gou Qi Zi | 枸杞子 |
TCMH12 | Artemisia argyi | Ai Ye | 艾叶 |
TCMH13 | Artemisia argyi | Ai Ye You | 艾叶油 |
TCMH130 | Pinellia ternata | Ban Xia | 半夏 |
TCMH131 | Pinellia ternata | Ban Xia Qu | 半夏曲 |
Ingredient ID: TCMC2709
Formula: C21H20O10
Common Name | Apigenin-7-O-Glucoside |
IUPAC Name | 5-hydroxy-2-(4-hydroxyphenyl)-7-[(3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxychromen-4-one |
Canonical SMILES | OC[C@H]1OC(Oc2cc(O)c3c(c2)oc(cc3=O)c2ccc(cc2)O)[C@@H]([C@H]([C@@H]1O)O)O |
Standard InCHI | InChI=1S/C21H20O10/c22-8-16-18(26)19(27)20(28)21(31-16)29-11-5-12(24)17-13(25)7-14(30-15(17)6-11)9-1-3-10(23)4-2-9/h1-7,16,18-24,26-28H,8H2/t16-,18-,19+,20-,21?/m1/s1 |
Standard InCHIKey | KMOUJOKENFFTPU-MKJMBMEGSA-N |
External Identifiers | ChEMBL [CHEMBL2165585]; PubChem [12304093]; |
Reference of Component-Ingredient Pair | N/A |
Component ID | Latin Name | Pinyin Name | Chinese Name |
---|---|---|---|
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 |
TCMH122 | Lobelia chinensis | Ban Bian Lian | 半边莲 |
TCMH132 | Scutellaria barbata | Ban Zhi Lian | 半枝莲 |
TCMH1466 | Rosa rugosa | Mei Gui Hua | 玫瑰花 |
TCMH1487 | Buddleja officinalis | Mi Meng Hua | 密蒙花 |
TCMH1714 | Lonicera japonica | Ren Dong Teng | 忍冬藤 |
TCMH2378 | Daphne genkwa | Yuan Hua | 芫花 |
TCMH2379 | Daphne genkwa | Yuan Hua Gen | 芫花根 |
Ingredient ID: TCMC2688
Formula: C12H16O3
Common Name | Cis-Asarone |
IUPAC Name | 1,2,4-trimethoxy-5-[(Z)-prop-1-enyl]benzene |
Canonical SMILES | C/C=Cc1cc(OC)c(cc1OC)OC |
Standard InCHI | InChI=1S/C12H16O3/c1-5-6-9-7-11(14-3)12(15-4)8-10(9)13-2/h5-8H,1-4H3/b6-5- |
Standard InCHIKey | RKFAZBXYICVSKP-WAYWQWQTSA-N |
External Identifiers | ChEMBL [CHEMBL477752]; PubChem [5281758]; |
Reference of Component-Ingredient Pair | 22351074 |
Component ID | Latin Name | Pinyin Name | Chinese Name |
---|---|---|---|
TCMH108 | Perilla frutescens | Bai Su Zi | 白苏子 |
TCMH1275 | Nelumbo nucifera | Lian Zi | 莲子 |
TCMH1276 | Nelumbo nucifera | Lian Zi Xin | 莲子心 |
TCMH132 | Scutellaria barbata | Ban Zhi Lian | 半枝莲 |
TCMH1598 | Nelumbo nucifera | Ou | 藕 |
TCMH1599 | Nelumbo nucifera | Ou Fen | 藕粉 |
TCMH1601 | Nelumbo nucifera | Ou Pian | 藕片 |
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: TCMC2541
Formula: C10H18O
Common Name | Alpha-Terpineol |
IUPAC Name | 2-[(1S)-4-methylcyclohex-3-en-1-yl]propan-2-ol |
Canonical SMILES | CC1=CC[C@H](CC1)C(O)(C)C |
Standard InCHI | InChI=1S/C10H18O/c1-8-4-6-9(7-5-8)10(2,3)11/h4,9,11H,5-7H2,1-3H3/t9-/m1/s1 |
Standard InCHIKey | WUOACPNHFRMFPN-SECBINFHSA-N |
External Identifiers | ChEMBL [CHEMBL447597]; PubChem [443162]; |
Reference of Component-Ingredient Pair | 27231091 |
Component ID | Latin Name | Pinyin Name | Chinese Name |
---|---|---|---|
TCMH1033 | Centella asiatica | Ji Xue Cao | 积雪草 |
TCMH1063 | Curcuma longa | Jiang Huang | 姜黄 |
TCMH1064 | Coptis chinensis | Jiang Huang Lian | 姜黄连 |
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 |
TCMH1161 | Coptis chinensis | Jiu Huang Lian | 酒黄连 |
TCMH1165 | Murraya paniculata | Jiu Li Xiang | 九里香 |
TCMH1175 | Cornus officinalis | Jiu Yu Rou | 酒萸肉 |
Ingredient ID: TCMC2493
Formula: C20H40O
Common Name | 3,7,11,15-Tetramethylhexadec-2-En-1-Ol |
IUPAC Name | (E)-3,7,11,15-tetramethylhexadec-2-en-1-ol |
Canonical SMILES | OC/C=C(/CCCC(CCCC(CCCC(C)C)C)C)C |
Standard InCHI | InChI=1S/C20H40O/c1-17(2)9-6-10-18(3)11-7-12-19(4)13-8-14-20(5)15-16-21/h15,17-19,21H,6-14,16H2,1-5H3/b20-15+ |
Standard InCHIKey | BOTWFXYSPFMFNR-HMMYKYKNSA-N |
External Identifiers | ChEMBL [CHEMBL390773]; PubChem [5366244]; |
Reference of Component-Ingredient Pair | N/A |
Component ID | Latin Name | Pinyin Name | Chinese Name |
---|---|---|---|
TCMH108 | Perilla frutescens | Bai Su Zi | 白苏子 |
TCMH1178 | Citrus reticulata | Ju He | 橘核 |
TCMH1184 | Citrus reticulata | Ju Pi | 橘皮 |
TCMH132 | Scutellaria barbata | Ban Zhi Lian | 半枝莲 |
TCMH1437 | Rhododendron dauricum | Man Shan Hong | 满山红 |
TCMH147 | Glehnia littoralis | Bei Sha Shen | 北沙参 |
TCMH148 | Glehnia littoralis | Bei Sha Shen Liu Jin Gao | 北沙参流浸膏 |
TCMH1503 | Eclipta prostrata | Mo Han Lian | 墨旱莲 |
TCMH1632 | Taraxacum mongolicum | Pu Gong Ying | 蒲公英 |
TCMH1633 | Taraxacum mongolicum | Pu Gong Ying Jin Gao | 蒲公英浸膏 |
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: 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: TCMC2292
Formula: C16H12O6
Common Name | 4'-Hydroxywogonin |
IUPAC Name | 5,7-dihydroxy-2-(4-hydroxyphenyl)-8-methoxychromen-4-one |
Canonical SMILES | COc1c(O)cc(c2c1oc(cc2=O)c1ccc(cc1)O)O |
Standard InCHI | InChI=1S/C16H12O6/c1-21-15-12(20)6-10(18)14-11(19)7-13(22-16(14)15)8-2-4-9(17)5-3-8/h2-7,17-18,20H,1H3 |
Standard InCHIKey | OEZZJTAJYYSQKM-UHFFFAOYSA-N |
External Identifiers | ChEMBL [CHEMBL245712]; PubChem [5322078]; |
Reference of Component-Ingredient Pair | 20862635 |
Component ID | Latin Name | Pinyin Name | Chinese Name |
---|---|---|---|
TCMH1111 | Polygala glomerata | Jin Niu Cao | 金牛草 |
TCMH132 | Scutellaria barbata | Ban Zhi Lian | 半枝莲 |
TCMH1393 | Verbena officinalis | Ma Bian Cao | 马鞭草 |
TCMH1622 | Scutellaria baicalensis | Pian Qin | 片芩 |
TCMH2232 | Scutellaria amoena | Xi Nan Huang Qin | 西南黄芩 |
TCMH807 | Scutellaria indica | Han Xin Cao | 韩信草 |
TCMH986 | Scutellaria baicalensis | Huang Qin | 黄芩 |
TCMH989 | Scutellaria baicalensis | Huang Qin Jin Gao | 黄芩浸膏 |
TCMH990 | Scutellaria baicalensis | Huang Qin Jin Gao Fen | 黄芩浸膏粉 |
TCMH992 | Scutellaria baicalensis | Huang Qin Tan | 黄芩炭 |
Ingredient ID: TCMC2237
Formula: C16H12O5
Common Name | Wogonin |
IUPAC Name | 5,7-dihydroxy-8-methoxy-2-phenylchromen-4-one |
Canonical SMILES | COc1c(O)cc(c2c1oc(cc2=O)c1ccccc1)O |
Standard InCHI | InChI=1S/C16H12O5/c1-20-15-12(19)7-10(17)14-11(18)8-13(21-16(14)15)9-5-3-2-4-6-9/h2-8,17,19H,1H3 |
Standard InCHIKey | XLTFNNCXVBYBSX-UHFFFAOYSA-N |
External Identifiers | ChEMBL [CHEMBL16171]; PubChem [5281703]; |
Reference of Component-Ingredient Pair | 22885972 |
Component ID | Latin Name | Pinyin Name | Chinese Name |
---|---|---|---|
TCMH1064 | Coptis chinensis | Jiang Huang Lian | 姜黄连 |
TCMH1161 | Coptis chinensis | Jiu Huang Lian | 酒黄连 |
TCMH132 | Scutellaria barbata | Ban Zhi Lian | 半枝莲 |
TCMH1519 | Oroxylum indicum | Mu Hu Die | 木蝴蝶 |
TCMH1622 | Scutellaria baicalensis | Pian Qin | 片芩 |
TCMH1856 | Gardenia jasminoides | Shan Zhi | 山栀 |
TCMH2071 | Prunus persica | Tao | 桃 |
TCMH2073 | Prunus persica | Tao Ren | 桃仁 |
TCMH2074 | Prunus persica | Tao Ren Shuang | 桃仁霜 |
TCMH2077 | Prunus persica | Tao Zhi | 桃枝 |
Ingredient ID: TCMC2222
Formula: C8H8O4
Common Name | Vanillic Acid |
IUPAC Name | 4-hydroxy-3-methoxybenzoic acid |
Canonical SMILES | COc1cc(ccc1O)C(=O)O |
Standard InCHI | InChI=1S/C8H8O4/c1-12-7-4-5(8(10)11)2-3-6(7)9/h2-4,9H,1H3,(H,10,11) |
Standard InCHIKey | WKOLLVMJNQIZCI-UHFFFAOYSA-N |
External Identifiers | ChEMBL [CHEMBL120568]; PubChem [8468]; |
Reference of Component-Ingredient Pair | 23800587 |
Component ID | Latin Name | Pinyin Name | Chinese Name |
---|---|---|---|
TCMH1008 | Pogostemon cablin | Huo Xiang | 藿香 |
TCMH1009 | Pogostemon cablin | Huo Xiang Ye | 藿香叶 |
TCMH1011 | Sargentodoxa cuneata | Huo Xue Teng | 活血藤 |
TCMH1032 | Impatiens balsamina | Ji Xing Zi | 急性子 |
TCMH1064 | Coptis chinensis | Jiang Huang Lian | 姜黄连 |
TCMH108 | Perilla frutescens | Bai Su Zi | 白苏子 |
TCMH1086 | Sambucus williamsii | Jie Gu Mu | 接骨木 |
TCMH1105 | Trollius chinensis | Jin Lian Hua | 金莲花 |
TCMH1127 | Lonicera japonica | Jin Yin Hua | 金银花 |
TCMH1128 | Lonicera japonica | Jin Yin Hua Ti Qu Ye | 金银花提取液 |
Ingredient ID: TCMC2182
Formula: C20H40O
Common Name | Trans-Phytol |
IUPAC Name | (E,7R,11R)-3,7,11,15-tetramethylhexadec-2-en-1-ol |
Canonical SMILES | OC/C=C(/CCC[C@@H](CCC[C@@H](CCCC(C)C)C)C)C |
Standard InCHI | InChI=1S/C20H40O/c1-17(2)9-6-10-18(3)11-7-12-19(4)13-8-14-20(5)15-16-21/h15,17-19,21H,6-14,16H2,1-5H3/b20-15+/t18-,19-/m1/s1 |
Standard InCHIKey | BOTWFXYSPFMFNR-PYDDKJGSSA-N |
External Identifiers | ChEMBL [CHEMBL1644111]; PubChem [5280435]; |
Reference of Component-Ingredient Pair | 28344896 |
Component ID | Latin Name | Pinyin Name | Chinese Name |
---|---|---|---|
TCMH1053 | Saponaria officinalis | Jian Hua | 碱花 |
TCMH108 | Perilla frutescens | Bai Su Zi | 白苏子 |
TCMH114 | Platycladus orientalis | Bai Ye | 柏叶 |
TCMH1178 | Citrus reticulata | Ju He | 橘核 |
TCMH1184 | Citrus reticulata | Ju Pi | 橘皮 |
TCMH1275 | Nelumbo nucifera | Lian Zi | 莲子 |
TCMH1276 | Nelumbo nucifera | Lian Zi Xin | 莲子心 |
TCMH132 | Scutellaria barbata | Ban Zhi Lian | 半枝莲 |
TCMH1437 | Rhododendron dauricum | Man Shan Hong | 满山红 |
TCMH147 | Glehnia littoralis | Bei Sha Shen | 北沙参 |
Ingredient ID: TCMC2166
Formula: C10H14O
Common Name | Thymol |
IUPAC Name | 5-methyl-2-propan-2-ylphenol |
Canonical SMILES | Cc1ccc(c(c1)O)C(C)C |
Standard InCHI | InChI=1S/C10H14O/c1-7(2)9-5-4-8(3)6-10(9)11/h4-7,11H,1-3H3 |
Standard InCHIKey | MGSRCZKZVOBKFT-UHFFFAOYSA-N |
External Identifiers | ChEMBL [CHEMBL29411]; PubChem [6989]; |
Reference of Component-Ingredient Pair | 29191726 |
Component ID | Latin Name | Pinyin Name | Chinese Name |
---|---|---|---|
TCMH1029 | Paederia scandens | Ji Shi Teng | 鸡矢藤 |
TCMH108 | Perilla frutescens | Bai Su Zi | 白苏子 |
TCMH114 | Platycladus orientalis | Bai Ye | 柏叶 |
TCMH1165 | Murraya paniculata | Jiu Li Xiang | 九里香 |
TCMH1178 | Citrus reticulata | Ju He | 橘核 |
TCMH1181 | Chrysanthemum morifolium | Ju Hua | 菊花 |
TCMH1184 | Citrus reticulata | Ju Pi | 橘皮 |
TCMH1292 | Radix smilacis | Ling Xian | 灵仙 |
TCMH132 | Scutellaria barbata | Ban Zhi Lian | 半枝莲 |
TCMH1380 | Humulus japonicus | Lv Cao | 葎草 |
Ingredient ID: TCMC2055
Formula: C21H18O12
Common Name | Scutellarin |
IUPAC Name | (2S,3S,4S,5R,6S)-6-[5,6-dihydroxy-2-(4-hydroxyphenyl)-4-oxochromen-7-yl]oxy-3,4,5-trihydroxyoxane-2-carboxylic acid |
Canonical SMILES | OC(=O)[C@H]1O[C@@H](Oc2cc3oc(cc(=O)c3c(c2O)O)c2ccc(cc2)O)[C@@H]([C@H]([C@@H]1O)O)O |
Standard InCHI | InChI=1S/C21H18O12/c22-8-3-1-7(2-4-8)10-5-9(23)13-11(31-10)6-12(14(24)15(13)25)32-21-18(28)16(26)17(27)19(33-21)20(29)30/h1-6,16-19,21-22,24-28H,(H,29,30)/t16-,17-,18+,19-,21+/m0/s1 |
Standard InCHIKey | DJSISFGPUUYILV-ZFORQUDYSA-N |
External Identifiers | ChEMBL [CHEMBL487805]; PubChem [185617]; |
Reference of Component-Ingredient Pair | 17323972 |
Component ID | Latin Name | Pinyin Name | Chinese Name |
---|---|---|---|
TCMH108 | Perilla frutescens | Bai Su Zi | 白苏子 |
TCMH132 | Scutellaria barbata | Ban Zhi Lian | 半枝莲 |
TCMH1396 | Portulaca oleracea | Ma Chi Xian | 马齿苋 |
TCMH1622 | Scutellaria baicalensis | Pian Qin | 片芩 |
TCMH2213 | Ipomoea cairica | Wu Zhao Long | 五爪龙 |
TCMH440 | Erigeron breviscapus | Deng Zhan Xi Xin | 灯盏细辛 |
TCMH986 | Scutellaria baicalensis | Huang Qin | 黄芩 |
TCMH989 | Scutellaria baicalensis | Huang Qin Jin Gao | 黄芩浸膏 |
TCMH990 | Scutellaria baicalensis | Huang Qin Jin Gao Fen | 黄芩浸膏粉 |
TCMH992 | Scutellaria baicalensis | Huang Qin Tan | 黄芩炭 |
Ingredient ID: TCMC2054
Formula: C15H10O6
Common Name | Scutellarein |
IUPAC Name | 5,6,7-trihydroxy-2-(4-hydroxyphenyl)chromen-4-one |
Canonical SMILES | Oc1ccc(cc1)c1cc(=O)c2c(o1)cc(c(c2O)O)O |
Standard InCHI | InChI=1S/C15H10O6/c16-8-3-1-7(2-4-8)11-5-9(17)13-12(21-11)6-10(18)14(19)15(13)20/h1-6,16,18-20H |
Standard InCHIKey | JVXZRQGOGOXCEC-UHFFFAOYSA-N |
External Identifiers | ChEMBL [CHEMBL55415]; PubChem [5281697]; |
Reference of Component-Ingredient Pair | 22944352 |
Component ID | Latin Name | Pinyin Name | Chinese Name |
---|---|---|---|
TCMH108 | Perilla frutescens | Bai Su Zi | 白苏子 |
TCMH132 | Scutellaria barbata | Ban Zhi Lian | 半枝莲 |
TCMH1503 | Eclipta prostrata | Mo Han Lian | 墨旱莲 |
TCMH1519 | Oroxylum indicum | Mu Hu Die | 木蝴蝶 |
TCMH1622 | Scutellaria baicalensis | Pian Qin | 片芩 |
TCMH2232 | Scutellaria amoena | Xi Nan Huang Qin | 西南黄芩 |
TCMH2450 | Scoparia dulcis | Ye Gan Cao | 野甘草 |
TCMH440 | Erigeron breviscapus | Deng Zhan Xi Xin | 灯盏细辛 |
TCMH807 | Scutellaria indica | Han Xin Cao | 韩信草 |
TCMH986 | Scutellaria baicalensis | Huang Qin | 黄芩 |
Ingredient ID: TCMC1986
Formula: C21H20O11
Common Name | Quercitrin |
IUPAC Name | 2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-3-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxychromen-4-one |
Canonical SMILES | Oc1cc(O)c2c(c1)oc(c(c2=O)O[C@@H]1O[C@@H](C)[C@@H]([C@H]([C@H]1O)O)O)c1ccc(c(c1)O)O |
Standard InCHI | InChI=1S/C21H20O11/c1-7-15(26)17(28)18(29)21(30-7)32-20-16(27)14-12(25)5-9(22)6-13(14)31-19(20)8-2-3-10(23)11(24)4-8/h2-7,15,17-18,21-26,28-29H,1H3/t7-,15-,17+,18+,21-/m0/s1 |
Standard InCHIKey | OXGUCUVFOIWWQJ-HQBVPOQASA-N |
External Identifiers | ChEMBL [CHEMBL82242]; PubChem [5280459]; |
Reference of Component-Ingredient Pair | 24685503 |
Component ID | Latin Name | Pinyin Name | Chinese Name |
---|---|---|---|
TCMH101 | Chelidonium majus | Bai Qu Cai | 白屈菜 |
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 |
TCMH114 | Platycladus orientalis | Bai Ye | 柏叶 |
TCMH1165 | Murraya paniculata | Jiu Li Xiang | 九里香 |
TCMH1247 | Geranium wilfordii | Lao Guan Cao | 老鹳草 |
TCMH132 | Scutellaria barbata | Ban Zhi Lian | 半枝莲 |
TCMH1343 | Aloe vera | Lu Hui | 芦荟 |
TCMH143 | Albizia julibrissin | Bei He Huan | 北合欢 |
Ingredient ID: TCMC1956
Formula: C7H6O4
Common Name | Protocatechuic Acid |
IUPAC Name | 3,4-dihydroxybenzoic acid |
Canonical SMILES | OC(=O)c1ccc(c(c1)O)O |
Standard InCHI | InChI=1S/C7H6O4/c8-5-2-1-4(7(10)11)3-6(5)9/h1-3,8-9H,(H,10,11) |
Standard InCHIKey | YQUVCSBJEUQKSH-UHFFFAOYSA-N |
External Identifiers | ChEMBL [CHEMBL37537]; PubChem [72]; |
Reference of Component-Ingredient Pair | 24685503 |
Component ID | Latin Name | Pinyin Name | Chinese Name |
---|---|---|---|
TCMH10 | Blumea balsamifera | Ai Pian | 艾片 |
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 |
TCMH108 | Perilla frutescens | Bai Su Zi | 白苏子 |
TCMH11 | Blumea balsamifera | Ai Tan | 艾炭 |
TCMH1105 | Trollius chinensis | Jin Lian Hua | 金莲花 |
TCMH1117 | Rhizoma fagopyri cymosi | Jin Qiao Mai | 金荞麦 |
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: TCMC1774
Formula: C9H8O3
Common Name | O-Coumaric Acid |
IUPAC Name | (E)-3-(2-hydroxyphenyl)prop-2-enoic acid |
Canonical SMILES | OC(=O)/C=C/c1ccccc1O |
Standard InCHI | InChI=1S/C9H8O3/c10-8-4-2-1-3-7(8)5-6-9(11)12/h1-6,10H,(H,11,12)/b6-5+ |
Standard InCHIKey | PMOWTIHVNWZYFI-AATRIKPKSA-N |
External Identifiers | ChEMBL [CHEMBL52564]; PubChem [637540]; |
Reference of Component-Ingredient Pair | 26428924 |
Component ID | Latin Name | Pinyin Name | Chinese Name |
---|---|---|---|
TCMH1000 | Foeniculum vulgare | Hui Xiang | 茴香 |
TCMH132 | Scutellaria barbata | Ban Zhi Lian | 半枝莲 |
TCMH1343 | Aloe vera | Lu Hui | 芦荟 |
TCMH1437 | Rhododendron dauricum | Man Shan Hong | 满山红 |
TCMH1609 | Eupatorium fortunei | Pei Lan | 佩兰 |
TCMH1742 | Cinnamomum cassia | Rou Gui | 肉桂 |
TCMH1746 | Cinnamomum cassia | Rou Gui Zi | 肉桂子 |
TCMH1770 | Panax notoginseng | San Qi Gan Jin Gao | 三七干浸膏 |
TCMH1771 | Panax notoginseng | San Qi Gao Fen | 三七膏粉 |
TCMH1772 | Panax notoginseng | San Qi Hua | 三七花 |
Ingredient ID: TCMC1737
Formula: C10H18O
Common Name | Nerol |
IUPAC Name | (2Z)-3,7-dimethylocta-2,6-dien-1-ol |
Canonical SMILES | OC/C=C(CCC=C(C)C)/C |
Standard InCHI | InChI=1S/C10H18O/c1-9(2)5-4-6-10(3)7-8-11/h5,7,11H,4,6,8H2,1-3H3/b10-7- |
Standard InCHIKey | GLZPCOQZEFWAFX-YFHOEESVSA-N |
External Identifiers | ChEMBL [CHEMBL452683]; PubChem [643820]; |
Reference of Component-Ingredient Pair | 11731906 |
Component ID | Latin Name | Pinyin Name | Chinese Name |
---|---|---|---|
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 |
TCMH1165 | Murraya paniculata | Jiu Li Xiang | 九里香 |
TCMH1178 | Citrus reticulata | Ju He | 橘核 |
TCMH1184 | Citrus reticulata | Ju Pi | 橘皮 |
TCMH12 | Artemisia argyi | Ai Ye | 艾叶 |
TCMH1215 | Sophora flavescens | Ku Shen | 苦参 |
TCMH1247 | Geranium wilfordii | Lao Guan Cao | 老鹳草 |
TCMH1275 | Nelumbo nucifera | Lian Zi | 莲子 |
Ingredient ID: TCMC1735
Formula: C27H32O14
Common Name | Naringin |
IUPAC Name | (2S)-7-[(2S,3R,4S,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)-3-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-2-yl]oxy-5-hydroxy-2-(4-hydroxyphenyl)-2,3-dihydrochromen-4-one |
Canonical SMILES | OC[C@H]1O[C@@H](Oc2cc(O)c3c(c2)O[C@@H](CC3=O)c2ccc(cc2)O)[C@@H]([C@H]([C@@H]1O)O)O[C@@H]1O[C@@H](C)[C@@H]([C@H]([C@H]1O)O)O |
Standard InCHI | InChI=1S/C27H32O14/c1-10-20(32)22(34)24(36)26(37-10)41-25-23(35)21(33)18(9-28)40-27(25)38-13-6-14(30)19-15(31)8-16(39-17(19)7-13)11-2-4-12(29)5-3-11/h2-7,10,16,18,20-30,32-36H,8-9H2,1H3/t10-,16-,18+,20-,21+,22+,23-,24+,25+,26-,27+/m0/s1 |
Standard InCHIKey | DFPMSGMNTNDNHN-ZPHOTFPESA-N |
External Identifiers | ChEMBL [CHEMBL451532]; PubChem [442428]; |
Reference of Component-Ingredient Pair | 22260547 |
Component ID | Latin Name | Pinyin Name | Chinese Name |
---|---|---|---|
TCMH1097 | Fortunella japonica | Jin Gan | 金柑 |
TCMH1104 | Fortunella margarita | Jin Ju | 金橘 |
TCMH1178 | Citrus reticulata | Ju He | 橘核 |
TCMH1179 | Citri exocarpium rubrum | Ju Hong | 橘红 |
TCMH1180 | Exocarpium citri rubrum | Ju Hong Pi | 橘红皮 |
TCMH1184 | Citrus reticulata | Ju Pi | 橘皮 |
TCMH1255 | Tripterygium wilfordii | Lei Gong Teng | 雷公藤 |
TCMH1296 | Ganoderma lucidum | Ling Zhi Jin Gao | 灵芝浸膏 |
TCMH1299 | Ganoderma lucidum | Ling Zhi(1) | 灵芝 |
TCMH132 | Scutellaria barbata | Ban Zhi Lian | 半枝莲 |
Ingredient ID: TCMC1734
Formula: C15H12O5
Common Name | Naringenin |
IUPAC Name | (2S)-5,7-dihydroxy-2-(4-hydroxyphenyl)-2,3-dihydrochromen-4-one |
Canonical SMILES | Oc1ccc(cc1)[C@@H]1CC(=O)c2c(O1)cc(cc2O)O |
Standard InCHI | InChI=1S/C15H12O5/c16-9-3-1-8(2-4-9)13-7-12(19)15-11(18)5-10(17)6-14(15)20-13/h1-6,13,16-18H,7H2/t13-/m0/s1 |
Standard InCHIKey | FTVWIRXFELQLPI-ZDUSSCGKSA-N |
External Identifiers | ChEMBL [CHEMBL9352]; PubChem [439246]; |
Reference of Component-Ingredient Pair | 22970652 |
Component ID | Latin Name | Pinyin Name | Chinese Name |
---|---|---|---|
TCMH1000 | Foeniculum vulgare | Hui Xiang | 茴香 |
TCMH1105 | Trollius chinensis | Jin Lian Hua | 金莲花 |
TCMH1178 | Citrus reticulata | Ju He | 橘核 |
TCMH1179 | Citri exocarpium rubrum | Ju Hong | 橘红 |
TCMH1181 | Chrysanthemum morifolium | Ju Hua | 菊花 |
TCMH1184 | Citrus reticulata | Ju Pi | 橘皮 |
TCMH132 | Scutellaria barbata | Ban Zhi Lian | 半枝莲 |
TCMH1322 | Solanum nigrum | Long Kui | 龙葵 |
TCMH1437 | Rhododendron dauricum | Man Shan Hong | 满山红 |
TCMH1475 | Glycyrrhiza uralensis | Mi Gan Cao | 蜜甘草 |
Ingredient ID: TCMC1712
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+/m0/s1 |
Standard InCHIKey | NVEQFIOZRFFVFW-SFDCQRBFSA-N |
External Identifiers | ChEMBL [CHEMBL1513806]; PubChem [6604672]; |
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 |
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 |
TCMH1141 | Schizonepeta tenuifolia | Jing Jie | 荆芥 |
TCMH1165 | Murraya paniculata | Jiu Li Xiang | 九里香 |
TCMH1178 | Citrus reticulata | Ju He | 橘核 |
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: TCMC1578
Formula: C11H14O2
Common Name | Methyleugenol |
IUPAC Name | 1,2-dimethoxy-4-prop-2-enylbenzene |
Canonical SMILES | C=CCc1ccc(c(c1)OC)OC |
Standard InCHI | InChI=1S/C11H14O2/c1-4-5-9-6-7-10(12-2)11(8-9)13-3/h4,6-8H,1,5H2,2-3H3 |
Standard InCHIKey | ZYEMGPIYFIJGTP-UHFFFAOYSA-N |
External Identifiers | ChEMBL [CHEMBL108861]; PubChem [7127]; |
Reference of Component-Ingredient Pair | 28326452 |
Component ID | Latin Name | Pinyin Name | Chinese Name |
---|---|---|---|
TCMH1158 | Ocimum basilicum | Jiu Ceng Ta | 九层塔 |
TCMH1175 | Cornus officinalis | Jiu Yu Rou | 酒萸肉 |
TCMH12 | Artemisia argyi | Ai Ye | 艾叶 |
TCMH1215 | Sophora flavescens | Ku Shen | 苦参 |
TCMH1290 | Ocimum basilicum | Ling Ling Xiang | 零陵香 |
TCMH1292 | Radix smilacis | Ling Xian | 灵仙 |
TCMH13 | Artemisia argyi | Ai Ye You | 艾叶油 |
TCMH130 | Pinellia ternata | Ban Xia | 半夏 |
TCMH131 | Pinellia ternata | Ban Xia Qu | 半夏曲 |
TCMH132 | Scutellaria barbata | Ban Zhi Lian | 半枝莲 |
Ingredient ID: TCMC1544
Formula: C10H20O
Common Name | Menthol |
IUPAC Name | 5-methyl-2-propan-2-ylcyclohexan-1-ol |
Canonical SMILES | CC1CCC(C(C1)O)C(C)C |
Standard InCHI | InChI=1S/C10H20O/c1-7(2)9-5-4-8(3)6-10(9)11/h7-11H,4-6H2,1-3H3 |
Standard InCHIKey | NOOLISFMXDJSKH-UHFFFAOYSA-N |
External Identifiers | ChEMBL [CHEMBL256087]; PubChem [1254]; |
Reference of Component-Ingredient Pair | 22953891 |
Component ID | Latin Name | Pinyin Name | Chinese Name |
---|---|---|---|
TCMH108 | Perilla frutescens | Bai Su Zi | 白苏子 |
TCMH1141 | Schizonepeta tenuifolia | Jing Jie | 荆芥 |
TCMH12 | Artemisia argyi | Ai Ye | 艾叶 |
TCMH13 | Artemisia argyi | Ai Ye You | 艾叶油 |
TCMH130 | Pinellia ternata | Ban Xia | 半夏 |
TCMH131 | Pinellia ternata | Ban Xia Qu | 半夏曲 |
TCMH132 | Scutellaria barbata | Ban Zhi Lian | 半枝莲 |
TCMH1531 | Akebia quinata | Mu Tong | 木通 |
TCMH1677 | Pinellia ternata | Qing Ban Xia | 清半夏 |
TCMH1734 | Homo sapiens | Ren Zhong Bai | 人中白 |
Ingredient ID: TCMC1516
Formula: C15H10O6
Common Name | Luteolin |
IUPAC Name | 2-(3,4-dihydroxyphenyl)-5,7-dihydroxychromen-4-one |
Canonical SMILES | Oc1cc(O)c2c(c1)oc(cc2=O)c1ccc(c(c1)O)O |
Standard InCHI | InChI=1S/C15H10O6/c16-8-4-11(19)15-12(20)6-13(21-14(15)5-8)7-1-2-9(17)10(18)3-7/h1-6,16-19H |
Standard InCHIKey | IQPNAANSBPBGFQ-UHFFFAOYSA-N |
External Identifiers | ChEMBL [CHEMBL151]; PubChem [5280445]; |
Reference of Component-Ingredient Pair | 23122135 |
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 |
TCMH1022 | Celosia cristata | Ji Guan Hua | 鸡冠花 |
TCMH108 | Perilla frutescens | Bai Su Zi | 白苏子 |
TCMH1096 | Inula japonica | Jin Fei Cao | 金沸草 |
TCMH1105 | Trollius chinensis | Jin Lian Hua | 金莲花 |
TCMH1117 | Rhizoma fagopyri cymosi | Jin Qiao Mai | 金荞麦 |
TCMH1121 | Cardiospermum halicacabum | Jin Si Ku Lian | 金丝苦楝 |
TCMH1127 | Lonicera japonica | Jin Yin Hua | 金银花 |
Ingredient ID: TCMC1493
Formula: C10H18O
Common Name | Linalool (+) |
IUPAC Name | (3R)-3,7-dimethylocta-1,6-dien-3-ol |
Canonical SMILES | C=C[C@@](CCC=C(C)C)(O)C |
Standard InCHI | InChI=1S/C10H18O/c1-5-10(4,11)8-6-7-9(2)3/h5,7,11H,1,6,8H2,2-4H3/t10-/m0/s1 |
Standard InCHIKey | CDOSHBSSFJOMGT-JTQLQIEISA-N |
External Identifiers | ChEMBL [CHEMBL235672]; PubChem [443158]; |
Reference of Component-Ingredient Pair | 22394400 |
Component ID | Latin Name | Pinyin Name | Chinese Name |
---|---|---|---|
TCMH1000 | Foeniculum vulgare | Hui Xiang | 茴香 |
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 |
TCMH1117 | Rhizoma fagopyri cymosi | Jin Qiao Mai | 金荞麦 |
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 |
TCMH1144 | Schizonepetae herba | Jing Jie Tan | 荆芥炭 |
Ingredient ID: TCMC1492
Formula: C10H18O
Common Name | Linalool |
IUPAC Name | 3,7-dimethylocta-1,6-dien-3-ol |
Canonical SMILES | C=CC(CCC=C(C)C)(O)C |
Standard InCHI | InChI=1S/C10H18O/c1-5-10(4,11)8-6-7-9(2)3/h5,7,11H,1,6,8H2,2-4H3 |
Standard InCHIKey | CDOSHBSSFJOMGT-UHFFFAOYSA-N |
External Identifiers | ChEMBL [CHEMBL25306]; PubChem [6549]; |
Reference of Component-Ingredient Pair | 29029310 |
Component ID | Latin Name | Pinyin Name | Chinese Name |
---|---|---|---|
TCMH1000 | Foeniculum vulgare | Hui Xiang | 茴香 |
TCMH1029 | Paederia scandens | Ji Shi Teng | 鸡矢藤 |
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 |
TCMH1165 | Murraya paniculata | Jiu Li Xiang | 九里香 |
TCMH1178 | Citrus reticulata | Ju He | 橘核 |
TCMH1184 | Citrus reticulata | Ju Pi | 橘皮 |
TCMH12 | Artemisia argyi | Ai Ye | 艾叶 |
Ingredient ID: TCMC1476
Formula: C10H20O
Common Name | Levomenthol |
IUPAC Name | (1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexan-1-ol |
Canonical SMILES | C[C@@H]1CC[C@H]([C@@H](C1)O)C(C)C |
Standard InCHI | InChI=1S/C10H20O/c1-7(2)9-5-4-8(3)6-10(9)11/h7-11H,4-6H2,1-3H3/t8-,9+,10-/m1/s1 |
Standard InCHIKey | NOOLISFMXDJSKH-KXUCPTDWSA-N |
External Identifiers | ChEMBL [CHEMBL470670]; PubChem [16666]; |
Reference of Component-Ingredient Pair | 23449869 |
Component ID | Latin Name | Pinyin Name | Chinese Name |
---|---|---|---|
TCMH1029 | Paederia scandens | Ji Shi Teng | 鸡矢藤 |
TCMH1033 | Centella asiatica | Ji Xue Cao | 积雪草 |
TCMH108 | Perilla frutescens | Bai Su Zi | 白苏子 |
TCMH1141 | Schizonepeta tenuifolia | Jing Jie | 荆芥 |
TCMH12 | Artemisia argyi | Ai Ye | 艾叶 |
TCMH120 | Atractylodes macrocephala | Bai Zhu | 白术 |
TCMH13 | Artemisia argyi | Ai Ye You | 艾叶油 |
TCMH130 | Pinellia ternata | Ban Xia | 半夏 |
TCMH131 | Pinellia ternata | Ban Xia Qu | 半夏曲 |
TCMH132 | Scutellaria barbata | Ban Zhi Lian | 半枝莲 |
Ingredient ID: TCMC1343
Formula: C6H6O2
Common Name | Hydroquinone |
IUPAC Name | benzene-1,4-diol |
Canonical SMILES | Oc1ccc(cc1)O |
Standard InCHI | InChI=1S/C6H6O2/c7-5-1-2-6(8)4-3-5/h1-4,7-8H |
Standard InCHIKey | QIGBRXMKCJKVMJ-UHFFFAOYSA-N |
External Identifiers | ChEMBL [CHEMBL537]; PubChem [785]; |
Reference of Component-Ingredient Pair | 26795242 |
Component ID | Latin Name | Pinyin Name | Chinese Name |
---|---|---|---|
TCMH132 | Scutellaria barbata | Ban Zhi Lian | 半枝莲 |
TCMH143 | Albizia julibrissin | Bei He Huan | 北合欢 |
TCMH1437 | Rhododendron dauricum | Man Shan Hong | 满山红 |
TCMH1518 | Chaenomeles sinensis | Mu Gua | 木瓜 |
TCMH1734 | Homo sapiens | Ren Zhong Bai | 人中白 |
TCMH1865 | Paeonia obovata | Shao Yao | 芍药 |
TCMH193 | Psoralea corylifolia | Bu Gu Zhi | 补骨脂 |
TCMH2129 | Eupolyphaga sinensis | Tu Bie Chong | 土鳖虫 |
TCMH2256 | Curculigo orchioides | Xian Mao | 仙茅 |
TCMH258 | Paeonia obovata | Chi Shao | 赤芍 |
Ingredient ID: TCMC1329
Formula: C16H12O6
Common Name | Hispidulin |
IUPAC Name | 5,7-dihydroxy-2-(4-hydroxyphenyl)-6-methoxychromen-4-one |
Canonical SMILES | COc1c(O)cc2c(c1O)c(=O)cc(o2)c1ccc(cc1)O |
Standard InCHI | InChI=1S/C16H12O6/c1-21-16-11(19)7-13-14(15(16)20)10(18)6-12(22-13)8-2-4-9(17)5-3-8/h2-7,17,19-20H,1H3 |
Standard InCHIKey | IHFBPDAQLQOCBX-UHFFFAOYSA-N |
External Identifiers | ChEMBL [CHEMBL293776]; PubChem [5281628]; |
Reference of Component-Ingredient Pair | 22978216 |
Component ID | Latin Name | Pinyin Name | Chinese Name |
---|---|---|---|
TCMH1059 | Glycine max | Jiang | 姜 |
TCMH1062 | Glycine max | Jiang Gao | 姜膏 |
TCMH1067 | Glycine max | Jiang Tan | 姜炭 |
TCMH12 | Artemisia argyi | Ai Ye | 艾叶 |
TCMH13 | Artemisia argyi | Ai Ye You | 艾叶油 |
TCMH132 | Scutellaria barbata | Ban Zhi Lian | 半枝莲 |
TCMH1475 | Glycyrrhiza uralensis | Mi Gan Cao | 蜜甘草 |
TCMH1489 | Papaver somniferum | Mi Ying Su Ke | 蜜罂粟壳 |
TCMH1899 | Glycyrrhiza uralensis | Sheng Gan Cao | 生甘草 |
TCMH197 | Bombyx mori | Can E | 蚕蛾 |
Ingredient ID: TCMC1321
Formula: C28H34O15
Common Name | Hesperidin |
IUPAC Name | (2S)-5-hydroxy-2-(3-hydroxy-4-methoxyphenyl)-7-[(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]oxy-2,3-dihydrochromen-4-one |
Canonical SMILES | COc1ccc(cc1O)[C@@H]1CC(=O)c2c(O1)cc(cc2O)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 |
Standard InCHI | InChI=1S/C28H34O15/c1-10-21(32)23(34)25(36)27(40-10)39-9-19-22(33)24(35)26(37)28(43-19)41-12-6-14(30)20-15(31)8-17(42-18(20)7-12)11-3-4-16(38-2)13(29)5-11/h3-7,10,17,19,21-30,32-37H,8-9H2,1-2H3/t10-,17-,19+,21-,22+,23+,24-,25+,26+,27+,28+/m0/s1 |
Standard InCHIKey | QUQPHWDTPGMPEX-QJBIFVCTSA-N |
External Identifiers | ChEMBL [CHEMBL449317]; PubChem [10621]; |
Reference of Component-Ingredient Pair | 25130191 |
Component ID | Latin Name | Pinyin Name | Chinese Name |
---|---|---|---|
TCMH1141 | Schizonepeta tenuifolia | Jing Jie | 荆芥 |
TCMH1142 | Schizonepetae spica | Jing Jie Sui | 荆芥穗 |
TCMH1144 | Schizonepetae herba | Jing Jie Tan | 荆芥炭 |
TCMH1178 | Citrus reticulata | Ju He | 橘核 |
TCMH1181 | Chrysanthemum morifolium | Ju Hua | 菊花 |
TCMH1184 | Citrus reticulata | Ju Pi | 橘皮 |
TCMH122 | Lobelia chinensis | Ban Bian Lian | 半边莲 |
TCMH1272 | Forsythia suspensa | Lian Qiao | 连翘 |
TCMH132 | Scutellaria barbata | Ban Zhi Lian | 半枝莲 |
TCMH1396 | Portulaca oleracea | Ma Chi Xian | 马齿苋 |
Ingredient ID: TCMC1315
Formula: C7H14O
Common Name | Heptanal |
IUPAC Name | heptanal |
Canonical SMILES | CCCCCCC=O |
Standard InCHI | InChI=1S/C7H14O/c1-2-3-4-5-6-7-8/h7H,2-6H2,1H3 |
Standard InCHIKey | FXHGMKSSBGDXIY-UHFFFAOYSA-N |
External Identifiers | ChEMBL [CHEMBL18104]; PubChem [8130]; |
Reference of Component-Ingredient Pair | N/A |
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 |
TCMH1185 | Lycium chinense | Gou Qi | 枸杞 |
TCMH1186 | Lycium chinense | Gou Qi Zi | 枸杞子 |
TCMH12 | Artemisia argyi | Ai Ye | 艾叶 |
TCMH122 | Lobelia chinensis | Ban Bian Lian | 半边莲 |
TCMH13 | Artemisia argyi | Ai Ye You | 艾叶油 |
TCMH130 | Pinellia ternata | Ban Xia | 半夏 |
TCMH131 | Pinellia ternata | Ban Xia Qu | 半夏曲 |
TCMH132 | Scutellaria barbata | Ban Zhi Lian | 半枝莲 |
Ingredient ID: TCMC1238
Formula: C10H18O
Common Name | Geraniol |
IUPAC Name | (2E)-3,7-dimethylocta-2,6-dien-1-ol |
Canonical SMILES | OC/C=C(/CCC=C(C)C)C |
Standard InCHI | InChI=1S/C10H18O/c1-9(2)5-4-6-10(3)7-8-11/h5,7,11H,4,6,8H2,1-3H3/b10-7+ |
Standard InCHIKey | GLZPCOQZEFWAFX-JXMROGBWSA-N |
External Identifiers | ChEMBL [CHEMBL25719]; PubChem [637566]; |
Reference of Component-Ingredient Pair | 29070885 |
Component ID | Latin Name | Pinyin Name | Chinese Name |
---|---|---|---|
TCMH1063 | Curcuma longa | Jiang Huang | 姜黄 |
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 |
TCMH1179 | Citri exocarpium rubrum | Ju Hong | 橘红 |
TCMH1184 | Citrus reticulata | Ju Pi | 橘皮 |
TCMH12 | Artemisia argyi | Ai Ye | 艾叶 |
TCMH1275 | Nelumbo nucifera | Lian Zi | 莲子 |
TCMH1276 | Nelumbo nucifera | Lian Zi Xin | 莲子心 |
Ingredient ID: TCMC1206
Formula: C21H20O11
Common Name | Galuteolin |
IUPAC Name | 2-(3,4-dihydroxyphenyl)-5-hydroxy-7-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxychromen-4-one |
Canonical SMILES | OC[C@H]1O[C@@H](Oc2cc(O)c3c(c2)oc(cc3=O)c2ccc(c(c2)O)O)[C@@H]([C@H]([C@@H]1O)O)O |
Standard InCHI | InChI=1S/C21H20O11/c22-7-16-18(27)19(28)20(29)21(32-16)30-9-4-12(25)17-13(26)6-14(31-15(17)5-9)8-1-2-10(23)11(24)3-8/h1-6,16,18-25,27-29H,7H2/t16-,18-,19+,20-,21-/m1/s1 |
Standard InCHIKey | PEFNSGRTCBGNAN-QNDFHXLGSA-N |
External Identifiers | ChEMBL [CHEMBL233929]; PubChem [5280637]; |
Reference of Component-Ingredient Pair | 22885972 |
Component ID | Latin Name | Pinyin Name | Chinese Name |
---|---|---|---|
TCMH108 | Perilla frutescens | Bai Su Zi | 白苏子 |
TCMH1096 | Inula japonica | Jin Fei Cao | 金沸草 |
TCMH1125 | Herba chrysosplenii | Jin Yao Cao | 金腰草 |
TCMH1127 | Lonicera japonica | Jin Yin Hua | 金银花 |
TCMH1128 | Lonicera japonica | Jin Yin Hua Ti Qu Ye | 金银花提取液 |
TCMH1141 | Schizonepeta tenuifolia | Jing Jie | 荆芥 |
TCMH1181 | Chrysanthemum morifolium | Ju Hua | 菊花 |
TCMH1275 | Nelumbo nucifera | Lian Zi | 莲子 |
TCMH1276 | Nelumbo nucifera | Lian Zi Xin | 莲子心 |
TCMH132 | Scutellaria barbata | Ban Zhi Lian | 半枝莲 |
Ingredient ID: TCMC120
Formula: C10H16O
Common Name | (4-Prop-1-En-2-Ylcyclohexen-1-Yl)Methanol |
IUPAC Name | (4-prop-1-en-2-ylcyclohexen-1-yl)methanol |
Canonical SMILES | OCC1=CCC(CC1)C(=C)C |
Standard InCHI | InChI=1S/C10H16O/c1-8(2)10-5-3-9(7-11)4-6-10/h3,10-11H,1,4-7H2,2H3 |
Standard InCHIKey | NDTYTMIUWGWIMO-UHFFFAOYSA-N |
External Identifiers | ChEMBL [CHEMBL444711]; PubChem [10819]; |
Reference of Component-Ingredient Pair | N/A |
Component ID | Latin Name | Pinyin Name | Chinese Name |
---|---|---|---|
TCMH108 | Perilla frutescens | Bai Su Zi | 白苏子 |
TCMH1178 | Citrus reticulata | Ju He | 橘核 |
TCMH1184 | Citrus reticulata | Ju Pi | 橘皮 |
TCMH132 | Scutellaria barbata | Ban Zhi Lian | 半枝莲 |
TCMH1734 | Homo sapiens | Ren Zhong Bai | 人中白 |
TCMH1846 | Artemisia capillaris | Shan Yin Chen | 山茵陈 |
TCMH2154 | Artemisia capillaris | Tu Yin Chen Hao | 土茵陈蒿 |
TCMH2494 | Artemisia capillaris | Yin Chen Hao | 茵陈蒿 |
TCMH2495 | Artemisia capillaris | Yin Chen Hao Gan Jin Gao | 茵陈蒿干浸膏 |
TCMH2710 | Homo sapiens | Zi He Che | 紫河车 |
Ingredient ID: TCMC1159
Formula: C10H12O2
Common Name | Eugenol |
IUPAC Name | 2-methoxy-4-prop-2-enylphenol |
Canonical SMILES | C=CCc1ccc(c(c1)OC)O |
Standard InCHI | InChI=1S/C10H12O2/c1-3-4-8-5-6-9(11)10(7-8)12-2/h3,5-7,11H,1,4H2,2H3 |
Standard InCHIKey | RRAFCDWBNXTKKO-UHFFFAOYSA-N |
External Identifiers | ChEMBL [CHEMBL42710]; PubChem [3314]; |
Reference of Component-Ingredient Pair | 29191726 |
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 |
TCMH1064 | Coptis chinensis | Jiang Huang Lian | 姜黄连 |
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 |
TCMH1158 | Ocimum basilicum | Jiu Ceng Ta | 九层塔 |
TCMH1161 | Coptis chinensis | Jiu Huang Lian | 酒黄连 |
Ingredient ID | Formulae | Name | MW | AlogP | MlogP | XlogP | # HBA | # HBD | PSA | # Rotatable Bond | # Ring | # Heacy Atom | Lipinski RO5 Violation |
---|---|---|---|---|---|---|---|---|---|---|---|---|---|
TCMC1159 | C10H12O2 | Eugenol | 164.08 | 0.5166 | 2.34 | 2.484 | 0 | 1 | 29.46 | 5 | 1 | 12 | 0 |
TCMC120 | C10H16O | (4-Prop-1-En-2-Ylcyclohexen-1-Yl)Methanol | 152.12 | 1.0517 | 2.45 | 1.848 | 1 | 1 | 20.23 | 4 | 1 | 11 | 0 |
TCMC1206 | C21H20O11 | Galuteolin | 448.1 | -4.0917 | 2.56 | -0.075 | 6 | 7 | 186.37 | 11 | 4 | 32 | 1 |
TCMC1238 | C10H18O | Geraniol | 154.14 | 2.3397 | 2.45 | 2.524 | 1 | 1 | 20.23 | 8 | 0 | 11 | 0 |
TCMC1315 | C7H14O | Heptanal | 114.1 | -1.2583 | 2.12 | 2.863 | 1 | 0 | 17.07 | 6 | 0 | 8 | 0 |
TCMC1321 | C28H34O15 | Hesperidin | 610.19 | -4.86 | 2.89 | -1.489 | 10 | 8 | 234.29 | 17 | 5 | 43 | 1 |
TCMC1329 | C16H12O6 | Hispidulin | 300.06 | -1.9363 | 2.56 | 1.123 | 1 | 3 | 96.22 | 6 | 3 | 22 | 0 |
TCMC1343 | C6H6O2 | Hydroquinone | 110.04 | -0.9206 | 1.9 | 0.87 | 0 | 2 | 40.46 | 2 | 1 | 8 | 0 |
TCMC1476 | C10H20O | Levomenthol | 156.15 | 0.6563 | 2.45 | 3.211 | 1 | 1 | 20.23 | 5 | 1 | 11 | 0 |
TCMC1492 | C10H18O | Linalool | 154.14 | 2.4692 | 2.45 | 2.468 | 1 | 1 | 20.23 | 8 | 0 | 11 | 0 |