Description of the Component
Component ID |
TCMH317 |
Latin Name |
Capsella bursa-pastoris |
English Name |
Shepherdspurse |
Chinese Pinyin Name |
Ci Cai |
中文名 |
荠菜 |
TCM Properties |
|
TCM Meridians |
|
Therapeutic Class English |
For promoting diuresis and penetrating dampness |
Therapeutic Class Chinese |
利水渗湿 |
Functions |
Cool the blood and stop bleeding, Clear away heat and promote diuresis, Lower blood pressure |
Toxicity |
NA |
Geo-authentic habitats (道地产区) |
NA |
Reference |
CFDA |
Barcode ID |
WAT267-12, FOND036-12 |
Barcode Source |
BOLDSYSTEMS |
TCM Prescriptions with the Component
| Prescription ID | Prescription English Name | Prescription Chinese Name |
|---|---|---|
| TCMF3068 | Bu Xue Tiao Jing Tablets | 补血调经片 |
Targeted Human Proteins by the Ingredient of Component
| Target ID | Gene Symbol | Target Name | Target Class | Uniprot ID |
|---|---|---|---|---|
| TCMT116 | OPRM1 | Mu opioid receptor | GPCR | P35372 |
| TCMT150 | RORC | Nuclear receptor ROR-gamma | Nuclear receptor | P51449 |
| TCMT161 | HCAR2 | Hydroxycarboxylic acid receptor 2 | GPCR | Q8TDS4 |
| TCMT186 | MAOB | Monoamine oxidase B | Oxidoreductase | P27338 |
| TCMT2 | MAPT | Microtubule-associated protein tau | Unclassified | P10636 |
| TCMT206 | CYP2A6 | Cytochrome P450 2A6 | Oxidoreductase | P11509 |
| TCMT208 | MAOA | Monoamine oxidase A | Oxidoreductase | P21397 |
| TCMT213 | SLC22A1 | Solute carrier family 22 member 1 | Transporter | O15245 |
| TCMT241 | CHRNA7 | Neuronal acetylcholine receptor protein alpha-7 subunit | Ion channel | P36544 |
| TCMT248 | CXCL8 | Interleukin-8 | Unclassified | P10145 |
| TCMT290 | CHRM5 | Muscarinic acetylcholine receptor M5 | GPCR | P08912 |
| TCMT291 | CHRM3 | Muscarinic acetylcholine receptor M3 | GPCR | P20309 |
| TCMT292 | CHRM1 | Muscarinic acetylcholine receptor M1 | GPCR | P11229 |
| TCMT293 | CHRM2 | Muscarinic acetylcholine receptor M2 | GPCR | P08172 |
| TCMT327 | TRPV1 | Vanilloid receptor | Ion channel | Q8NER1 |
| TCMT33 | CYP3A4 | Cytochrome P450 3A4 | Oxidoreductase | P08684 |
| TCMT551 | CHRM4 | Muscarinic acetylcholine receptor M4 | GPCR | P08173 |
| TCMT552 | CHRNA3 | Neuronal acetylcholine receptor subunit alpha-3 | Ion channel | P32297 |
| TCMT561 | NT5E | 5'-nucleotidase | Hydrolase | P21589 |
| TCMT614 | EGLN1 | Egl nine homolog 1 | Oxidoreductase | Q9GZT9 |
| TCMT683 | MIF | Macrophage migration inhibitory factor | Isomerase | P14174 |
| TCMT80 | MAPK1 | MAP kinase ERK2 | Kinase | P28482 |
| TCMT82 | ESR1 | Estrogen receptor alpha | Nuclear receptor | P03372 |
| TCMT83 | CD38 | Lymphocyte differentiation antigen CD38 | Unclassified | P28907 |
Targeted Pathogenic Microbes by the Ingredient of Component
| Target ID | Target Name |
|---|---|
| TCMT1218 | Staphylococcus aureus |
| TCMT1465 | Entamoeba histolytica |
Ingredient Structrues
Ingredient ID: TCMC922
Formula: C10H16O
Ingredient ID: TCMC922
| Common Name | Citral |
| IUPAC Name | (2E)-3,7-dimethylocta-2,6-dienal |
| Canonical SMILES | O=C/C=C(/CCC=C(C)C)C |
| Standard InCHI | InChI=1S/C10H16O/c1-9(2)5-4-6-10(3)7-8-11/h5,7-8H,4,6H2,1-3H3/b10-7+ |
| Standard InCHIKey | WTEVQBCEXWBHNA-JXMROGBWSA-N |
| External Identifiers | ChEMBL [CHEMBL1080997]; PubChem [638011]; |
| Reference of Component-Ingredient Pair | 29968805 |
Occurrence of the ingredient across TCM components
| Component ID | Latin Name | Pinyin Name | Chinese Name |
|---|---|---|---|
| TCMH1063 | Curcuma longa | Jiang Huang | 姜黄 |
| TCMH924 | Zanthoxylum bungeanum | Hua Jiao | 花椒 |
| TCMH2630 | Citrus aurantium | Zhi Shi | 枳实 |
| TCMH382 | Allium sativum | Da Suan | 大蒜 |
| TCMH2495 | Artemisia capillaris | Yin Chen Hao Gan Jin Gao | 茵陈蒿干浸膏 |
| TCMH953 | Aconitum vilmorinianum | Huang Cao Wu | 黄草乌 |
| TCMH2201 | Securidaca inappendiculata | Wu Wei Teng | 五味藤 |
| TCMH1065 | Cortex zingiberis | Jiang Pi | 姜皮 |
| TCMH1562 | Arctium lappa | Niu Bang Zi | 牛蒡子 |
| TCMH317 | Capsella bursa-pastoris | Ci Cai | 荠菜 |
| TCMH1791 | Loranthus parasiticus | Sang Ji Sheng | 桑寄生 |
| TCMH2710 | Homo sapiens | Zi He Che | 紫河车 |
| TCMH1825 | Litsea cubeba | Shan Jiang Zi | 山姜子 |
| TCMH1609 | Eupatorium fortunei | Pei Lan | 佩兰 |
| TCMH226 | Camellia sinensis | Cha Ye | 茶叶 |
| TCMH2462 | Crataegus pinnatifida | Ye Shan Zha | 野山楂 |
| TCMH108 | Perilla frutescens | Bai Su Zi | 白苏子 |
| TCMH925 | Exocarpium citri grandis | Hua Ju Hong | 化橘红 |
| TCMH243 | Pericarpium citri reticulatae | Chen Pi | 陈皮 |
| TCMH2322 | Prunus armeniaca | Xing Ren | 杏仁 |
| TCMH818 | Fructus carpesii | He Shi | 鹤虱 |
| TCMH619 | Citrus medica var. sarcodactylis | Fo Shou | 佛手 |
| TCMH2206 | Schisandra chinensis | Wu Wei Zi Liu Jin Gao | 五味子流浸膏 |
| TCMH2545 | Houttuynia cordata | Yu Xing Cao | 鱼腥草 |
| TCMH176 | Daucus carota var. sativa | Bian Luo Bo | 卞萝卜 |
| TCMH1903 | Zingiber officinale | Sheng Jiang | 生姜 |
| TCMH840 | Rhizoma zingiberis recens preparata | Hei Jiang | 黑姜 |
| TCMH2320 | Magnolia liliflora | Xin Yi Ren | 辛夷仁 |
| TCMH1272 | Forsythia suspensa | Lian Qiao | 连翘 |
| TCMH160 | Piper cubeba | Bi Cheng Qie | 毕澄茄 |
| TCMH1219 | Semen armeniacae amarum | Ku Xing Ren | 苦杏仁 |
| TCMH2271 | Cymbopogon citratus | Xiang Mao | 香茅 |
| TCMH1184 | Citrus reticulata | Ju Pi | 橘皮 |
| TCMH2180 | Ficus carica | Wu Hua Guo | 无花果 |
| TCMH2282 | Citrus medica | Xiang Yuan Pi | 香橼皮 |
| TCMH2213 | Ipomoea cairica | Wu Zhao Long | 五爪龙 |
| TCMH13 | Artemisia argyi | Ai Ye You | 艾叶油 |
| TCMH2211 | Artemisia princeps | Wu Yue Ai | 五月艾 |
| 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 |
| TCMH737 | Crataegus pinnatifida | Guang Shan Zha | 广山楂 |
| TCMH1848 | Crataegus pinnatifida | Shan Zha | 山楂 |
| TCMH1849 | Crataegus pinnatifida | Shan Zha Chou Gao | 山楂稠膏 |
| TCMH1852 | Crataegus pinnatifida | Shan Zha Qing Gao | 山楂清膏 |
| TCMH1853 | Crataegus pinnatifida | Shan Zha Tan | 山楂炭 |
| TCMH2281 | Citrus medica | Xiang Yuan | 香橼 |
| TCMH1734 | Homo sapiens | Ren Zhong Bai | 人中白 |
| TCMH309 | Curcuma longa | Chuan Yu Jin | 川郁金 |
| TCMH1178 | Citrus reticulata | Ju He | 橘核 |
| TCMH12 | Artemisia argyi | Ai Ye | 艾叶 |
| TCMH511 | Litsea cubeba | Dou Chi Jiang | 豆豉姜 |
| TCMH1812 | Litsea cubeba | Shan Cang Zi | 山苍子 |
| TCMH2316 | Magnolia liliflora | Xin Yi | 辛夷 |
| TCMH2317 | Magnolia liliflora | Xin Yi Hua | 辛夷花 |
| TCMH2319 | Magnolia liliflora | Xin Yi Hua Jin Gao Fen | 辛夷花浸膏粉 |
| TCMH253 | Citrus aurantium | Cheng Pi | 橙皮 |
| TCMH2613 | Citrus aurantium | Zhi Geng | 枳梗 |
| TCMH2618 | Citrus aurantium | Zhi Ke | 枳壳 |
| TCMH2619 | Citrus aurantium | Zhi Ke Gan Jin Gao | 枳壳干浸膏 |
| TCMH2202 | Schisandra chinensis | Wu Wei Zi | 五味子 |
| TCMH2203 | Schisandra chinensis | Wu Wei Zi Chun Jin Gao | 五味子醇浸膏 |
| TCMH2204 | Schisandra chinensis | Wu Wei Zi Jin Chu Wu | 五味子浸出物 |
| TCMH2205 | Schisandra chinensis | Wu Wei Zi Jin Gao | 五味子浸膏 |
| TCMH51 | Camellia sinensis | Bai Cha | 白茶 |
Ingredient ID: TCMC761
Formula: C7H6O
Ingredient ID: TCMC761
| 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 |
Occurrence of the ingredient across TCM components
| Component ID | Latin Name | Pinyin Name | Chinese Name |
|---|---|---|---|
| TCMH1063 | Curcuma longa | Jiang Huang | 姜黄 |
| TCMH2039 | Caulis perillae frutescentis | Su Geng | 苏梗 |
| TCMH7 | Ardisiae japonicae | Ai Di Cha Qing Gao | 矮地茶清膏 |
| TCMH2026 | Lignum pini nodi | Song Jie | 松节 |
| TCMH1514 | Fructus caryophylli | Mu Ding Xiang | 母丁香 |
| TCMH1264 | Litchi chinensis | Li Zhi He | 荔枝核 |
| TCMH1144 | Schizonepetae herba | Jing Jie Tan | 荆芥炭 |
| TCMH2495 | Artemisia capillaris | Yin Chen Hao Gan Jin Gao | 茵陈蒿干浸膏 |
| TCMH2040 | Liquidambar orientalis | Su He Xiang | 苏合香 |
| TCMH1186 | Lycium chinense | Gou Qi Zi | 枸杞子 |
| TCMH1562 | Arctium lappa | Niu Bang Zi | 牛蒡子 |
| TCMH2137 | Pogostemon cablin | Tu Huo Xiang | 土藿香 |
| TCMH607 | Exodermis poria | Fu Ling Pi | 茯苓皮 |
| TCMH317 | Capsella bursa-pastoris | Ci Cai | 荠菜 |
| TCMH1343 | Aloe vera | Lu Hui | 芦荟 |
| TCMH1541 | Herba artemisiae anomalae | Nan Liu Ji Nu | 南刘寄奴 |
| TCMH25 | Styrax benzoin | An Xi Xiang | 安息香 |
| TCMH1409 | Cannabis sativa | Ma Ren | 麻仁 |
| TCMH2077 | Prunus persica | Tao Zhi | 桃枝 |
| TCMH2710 | Homo sapiens | Zi He Che | 紫河车 |
| TCMH1609 | Eupatorium fortunei | Pei Lan | 佩兰 |
| TCMH2505 | Siphonostegia chinensis | Yin Xing Cao | 阴行草 |
| TCMH1469 | Flos mume | Mei Hua | 梅花 |
| TCMH1894 | Pinellia ternata | Sheng Ban Xia | 生半夏 |
| TCMH215 | Alpinia katsumadai | Cao Dou Kou Ren | 草豆蔻仁 |
| TCMH1979 | Flos lonicerae | Shuang Hua | 双花 |
| TCMH827 | Terminalia chebula | He Zi Rou | 诃子肉 |
| TCMH108 | Perilla frutescens | Bai Su Zi | 白苏子 |
| TCMH1839 | Panax ginseng | Shan Shen | 山参 |
| TCMH2129 | Eupolyphaga sinensis | Tu Bie Chong | 土鳖虫 |
| TCMH2322 | Prunus armeniaca | Xing Ren | 杏仁 |
| TCMH388 | Ziziphus jujuba | Da Zao | 大枣 |
| TCMH829 | Semen pharbitidis | Hei Chou | 黑丑 |
| TCMH685 | Syzygium aromaticum | Gong Ding Xiang | 公丁香 |
| TCMH1495 | Gossypium herbaceum | Mian Hua Gen | 棉花根 |
| TCMH1518 | Chaenomeles sinensis | Mu Gua | 木瓜 |
| TCMH2192 | Prunus mume | Wu Mei Rou | 乌梅肉 |
| TCMH2651 | Elsholtzia splendens | Zhou Ye Xiang Ru | 皱叶香薷 |
| TCMH1486 | Ephedra sinica | Mi Ma Huang | 蜜麻黄 |
| TCMH373 | Fructus arctii lappae | Da Li Zi | 大力子 |
| TCMH2086 | Trichosanthes kirilowii | Tian Hua Fen | 天花粉 |
| TCMH2452 | Chrysanthemum indicum | Ye Ju Hua | 野菊花 |
| TCMH1000 | Foeniculum vulgare | Hui Xiang | 茴香 |
| TCMH1531 | Akebia quinata | Mu Tong | 木通 |
| TCMH132 | Scutellaria barbata | Ban Zhi Lian | 半枝莲 |
| TCMH114 | Platycladus orientalis | Bai Ye | 柏叶 |
| TCMH2180 | Ficus carica | Wu Hua Guo | 无花果 |
| TCMH2722 | Perilla frutescens var. arguta | Zi Su Ye | 紫苏叶 |
| TCMH892 | Hericium erinaceus | Hou Tou Jun | 猴头菌 |
| TCMH1142 | Schizonepetae spica | Jing Jie Sui | 荆芥穗 |
| TCMH1714 | Lonicera japonica | Ren Dong Teng | 忍冬藤 |
| TCMH2213 | Ipomoea cairica | Wu Zhao Long | 五爪龙 |
| TCMH13 | Artemisia argyi | Ai Ye You | 艾叶油 |
| TCMH1777 | Panax notoginseng | San Qi Ye Jing | 三七叶茎 |
| TCMH2211 | Artemisia princeps | Wu Yue Ai | 五月艾 |
| TCMH214 | Alpinia katsumadai | Cao Dou Kou | 草豆蔻 |
| 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 |
| TCMH144 | Herba artemisiae anomalae | Bei Liu Ji Nu | 北刘寄奴 |
| TCMH1302 | Herba artemisiae anomalae | Liu Ji Nu | 刘寄奴 |
| TCMH2071 | Prunus persica | Tao | 桃 |
| TCMH2073 | Prunus persica | Tao Ren | 桃仁 |
| TCMH2074 | Prunus persica | Tao Ren Shuang | 桃仁霜 |
| TCMH1127 | Lonicera japonica | Jin Yin Hua | 金银花 |
| TCMH1128 | Lonicera japonica | Jin Yin Hua Ti Qu Ye | 金银花提取液 |
| TCMH52 | Semen pharbitidis | Bai Chou | 白丑 |
| TCMH1185 | Lycium chinense | Gou Qi | 枸杞 |
| TCMH1734 | Homo sapiens | Ren Zhong Bai | 人中白 |
| 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 |
| TCMH130 | Pinellia ternata | Ban Xia | 半夏 |
| TCMH131 | Pinellia ternata | Ban Xia Qu | 半夏曲 |
| TCMH1677 | Pinellia ternata | Qing Ban Xia | 清半夏 |
| TCMH705 | Trichosanthes kirilowii | Gua Lou | 瓜蒌 |
| TCMH706 | Trichosanthes kirilowii | Gua Lou Pi | 瓜蒌皮 |
| TCMH707 | Trichosanthes kirilowii | Gua Lou Ren | 瓜蒌仁 |
| TCMH708 | Trichosanthes kirilowii | Gua Lou Ren Shuang | 瓜蒌仁霜 |
| TCMH709 | Trichosanthes kirilowii | Gua Lou Shi | 栝蒌实 |
| TCMH711 | Trichosanthes kirilowii | Gua Lou Gen | 栝楼根 |
| TCMH712 | Trichosanthes kirilowii | Gua Lou Ren(1) | 栝楼仁 |
| 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 |
| TCMH1776 | Panax notoginseng | San Qi Ye | 三七叶 |
| TCMH2276 | Elsholtzia splendens | Xiang Ru | 香薷 |
| TCMH309 | Curcuma longa | Chuan Yu Jin | 川郁金 |
| TCMH210 | Terminalia chebula | Cang Qing Guo | 藏青果 |
| TCMH826 | Terminalia chebula | He Zi | 诃子 |
| TCMH12 | Artemisia argyi | Ai Ye | 艾叶 |
| TCMH93 | Prunus mume | Bai Mei Hua | 白梅花 |
| TCMH2191 | Prunus mume | Wu Mei | 乌梅 |
| TCMH6 | Ardisiae japonicae | Ai Di Cha | 矮地茶 |
| TCMH1721 | Panax ginseng | Ren Shen | 人参 |
| TCMH1728 | Panax ginseng | Ren Shen Ye | 人参叶 |
| TCMH519 | Pogostemon cablin | Du Huo Xiang | 杜藿香 |
| TCMH728 | Pogostemon cablin | Guang Huo Xiang | 广藿香 |
| TCMH1008 | Pogostemon cablin | Huo Xiang | 藿香 |
| TCMH1009 | Pogostemon cablin | Huo Xiang Ye | 藿香叶 |
| TCMH486 | Syzygium aromaticum | Ding Xiang | 丁香 |
| TCMH1005 | Cannabis sativa | Huo Ma Ren | 火麻仁 |
| TCMH2721 | Perilla frutescens var. arguta | Zi Su Geng | 紫苏梗 |
Ingredient ID: TCMC662
Formula: C4H5NS
Ingredient ID: TCMC662
| Common Name | Allyl Isothiocyanate |
| IUPAC Name | 3-isothiocyanatoprop-1-ene |
| Canonical SMILES | C=CCN=C=S |
| Standard InCHI | InChI=1S/C4H5NS/c1-2-3-5-4-6/h2H,1,3H2 |
| Standard InCHIKey | ZOJBYZNEUISWFT-UHFFFAOYSA-N |
| External Identifiers | ChEMBL [CHEMBL233248]; PubChem [5971]; |
| Reference of Component-Ingredient Pair | 27038267 |
Occurrence of the ingredient across TCM components
| Component ID | Latin Name | Pinyin Name | Chinese Name |
|---|---|---|---|
| TCMH317 | Capsella bursa-pastoris | Ci Cai | 荠菜 |
| TCMH2710 | Homo sapiens | Zi He Che | 紫河车 |
| TCMH2309 | Allium macrostemon | Xie Bai | 薤白 |
| TCMH685 | Syzygium aromaticum | Gong Ding Xiang | 公丁香 |
| TCMH1090 | Brassica juncea | Jie Zi | 芥子 |
| TCMH79 | Sinapis alba | Bai Jie Zi | 白芥子 |
| TCMH1734 | Homo sapiens | Ren Zhong Bai | 人中白 |
| TCMH486 | Syzygium aromaticum | Ding Xiang | 丁香 |
Ingredient ID: TCMC619
Formula: C7H16NO2
Ingredient ID: TCMC619
| Common Name | Acetylcholine |
| IUPAC Name | 2-acetyloxyethyl(trimethyl)azanium |
| Canonical SMILES | CC(=O)OCC[N+](C)(C)C |
| Standard InCHI | InChI=1S/C7H16NO2/c1-7(9)10-6-5-8(2,3)4/h5-6H2,1-4H3/q+1 |
| Standard InCHIKey | OIPILFWXSMYKGL-UHFFFAOYSA-N |
| External Identifiers | ChEMBL [CHEMBL667]; PubChem [187]; |
| Reference of Component-Ingredient Pair | 29246838 |
Occurrence of the ingredient across TCM components
| Component ID | Latin Name | Pinyin Name | Chinese Name |
|---|---|---|---|
| TCMH2630 | Citrus aurantium | Zhi Shi | 枳实 |
| TCMH429 | Swertia chinensis | Dang Yao | 当药 |
| TCMH317 | Capsella bursa-pastoris | Ci Cai | 荠菜 |
| TCMH2710 | Homo sapiens | Zi He Che | 紫河车 |
| TCMH2462 | Crataegus pinnatifida | Ye Shan Zha | 野山楂 |
| TCMH1322 | Solanum nigrum | Long Kui | 龙葵 |
| TCMH1484 | Apis cerana | Mi La | 蜜蜡 |
| TCMH737 | Crataegus pinnatifida | Guang Shan Zha | 广山楂 |
| TCMH1848 | Crataegus pinnatifida | Shan Zha | 山楂 |
| TCMH1849 | Crataegus pinnatifida | Shan Zha Chou Gao | 山楂稠膏 |
| TCMH1852 | Crataegus pinnatifida | Shan Zha Qing Gao | 山楂清膏 |
| TCMH1853 | Crataegus pinnatifida | Shan Zha Tan | 山楂炭 |
| TCMH1734 | Homo sapiens | Ren Zhong Bai | 人中白 |
| TCMH583 | Apis cerana | Feng Mi | 蜂蜜 |
| TCMH253 | Citrus aurantium | Cheng Pi | 橙皮 |
| TCMH2613 | Citrus aurantium | Zhi Geng | 枳梗 |
| TCMH2618 | Citrus aurantium | Zhi Ke | 枳壳 |
| TCMH2619 | Citrus aurantium | Zhi Ke Gan Jin Gao | 枳壳干浸膏 |
Ingredient ID: TCMC487
Formula: C6H7NO3S
Ingredient ID: TCMC487
| Common Name | 4-Azaniumylbenzenesulfonate |
| IUPAC Name | 4-azaniumylbenzenesulfonate |
| Canonical SMILES | Nc1ccc(cc1)S(=O)(=O)O |
| Standard InCHI | InChI=1S/C6H7NO3S/c7-5-1-3-6(4-2-5)11(8,9)10/h1-4H,7H2,(H,8,9,10) |
| Standard InCHIKey | HVBSAKJJOYLTQU-UHFFFAOYSA-N |
| External Identifiers | ChEMBL [CHEMBL1566888]; PubChem [5232424]; |
| Reference of Component-Ingredient Pair | N/A |
Occurrence of the ingredient across TCM components
| Component ID | Latin Name | Pinyin Name | Chinese Name |
|---|---|---|---|
| TCMH2630 | Citrus aurantium | Zhi Shi | 枳实 |
| TCMH429 | Swertia chinensis | Dang Yao | 当药 |
| TCMH317 | Capsella bursa-pastoris | Ci Cai | 荠菜 |
| TCMH253 | Citrus aurantium | Cheng Pi | 橙皮 |
| TCMH2613 | Citrus aurantium | Zhi Geng | 枳梗 |
| TCMH2618 | Citrus aurantium | Zhi Ke | 枳壳 |
| TCMH2619 | Citrus aurantium | Zhi Ke Gan Jin Gao | 枳壳干浸膏 |
Ingredient ID: TCMC369
Formula: C8H18O
Ingredient ID: TCMC369
| Common Name | 2-Ethylhexan-1-Ol |
| IUPAC Name | 2-ethylhexan-1-ol |
| Canonical SMILES | CCCCC(CO)CC |
| Standard InCHI | InChI=1S/C8H18O/c1-3-5-6-8(4-2)7-9/h8-9H,3-7H2,1-2H3 |
| Standard InCHIKey | YIWUKEYIRIRTPP-UHFFFAOYSA-N |
| External Identifiers | ChEMBL [CHEMBL31637]; PubChem [7720]; |
| Reference of Component-Ingredient Pair | 22989014 |
Occurrence of the ingredient across TCM components
| Component ID | Latin Name | Pinyin Name | Chinese Name |
|---|---|---|---|
| TCMH2630 | Citrus aurantium | Zhi Shi | 枳实 |
| TCMH317 | Capsella bursa-pastoris | Ci Cai | 荠菜 |
| TCMH2710 | Homo sapiens | Zi He Che | 紫河车 |
| TCMH1894 | Pinellia ternata | Sheng Ban Xia | 生半夏 |
| TCMH1299 | Ganoderma lucidum | Ling Zhi(1) | 灵芝 |
| TCMH1839 | Panax ginseng | Shan Shen | 山参 |
| TCMH2056 | Cynomorium songaricum | Suo Yang | 锁阳 |
| TCMH2573 | Ziziphus jujuba var. spinosa | Zao Ren | 枣仁 |
| TCMH2180 | Ficus carica | Wu Hua Guo | 无花果 |
| TCMH1714 | Lonicera japonica | Ren Dong Teng | 忍冬藤 |
| TCMH13 | Artemisia argyi | Ai Ye You | 艾叶油 |
| TCMH2211 | Artemisia princeps | Wu Yue Ai | 五月艾 |
| TCMH1127 | Lonicera japonica | Jin Yin Hua | 金银花 |
| TCMH1128 | Lonicera japonica | Jin Yin Hua Ti Qu Ye | 金银花提取液 |
| TCMH1734 | Homo sapiens | Ren Zhong Bai | 人中白 |
| TCMH130 | Pinellia ternata | Ban Xia | 半夏 |
| TCMH131 | Pinellia ternata | Ban Xia Qu | 半夏曲 |
| TCMH1677 | Pinellia ternata | Qing Ban Xia | 清半夏 |
| TCMH1296 | Ganoderma lucidum | Ling Zhi Jin Gao | 灵芝浸膏 |
| TCMH12 | Artemisia argyi | Ai Ye | 艾叶 |
| TCMH1721 | Panax ginseng | Ren Shen | 人参 |
| TCMH1728 | Panax ginseng | Ren Shen Ye | 人参叶 |
| TCMH2051 | Ziziphus jujuba var. spinosa | Suan Zao | 酸枣 |
| TCMH2052 | Ziziphus jujuba var. spinosa | Suan Zao Ren | 酸枣仁 |
| TCMH253 | Citrus aurantium | Cheng Pi | 橙皮 |
| TCMH2613 | Citrus aurantium | Zhi Geng | 枳梗 |
| TCMH2618 | Citrus aurantium | Zhi Ke | 枳壳 |
| TCMH2619 | Citrus aurantium | Zhi Ke Gan Jin Gao | 枳壳干浸膏 |
Ingredient ID: TCMC330
Formula: C6H8O
Ingredient ID: TCMC330
| Common Name | 2,4-Hexadienal |
| IUPAC Name | (2E,4E)-hexa-2,4-dienal |
| Canonical SMILES | C/C=C/C=C/C=O |
| Standard InCHI | InChI=1S/C6H8O/c1-2-3-4-5-6-7/h2-6H,1H3/b3-2+,5-4+ |
| Standard InCHIKey | BATOPAZDIZEVQF-MQQKCMAXSA-N |
| External Identifiers | ChEMBL [CHEMBL1576086]; PubChem [637564]; |
| Reference of Component-Ingredient Pair | N/A |
Occurrence of the ingredient across TCM components
| Component ID | Latin Name | Pinyin Name | Chinese Name |
|---|---|---|---|
| TCMH924 | Zanthoxylum bungeanum | Hua Jiao | 花椒 |
| TCMH317 | Capsella bursa-pastoris | Ci Cai | 荠菜 |
| TCMH108 | Perilla frutescens | Bai Su Zi | 白苏子 |
| TCMH1518 | Chaenomeles sinensis | Mu Gua | 木瓜 |
Ingredient ID: TCMC284
Formula: C10H16
Ingredient ID: TCMC284
| Common Name | 1-Methyl-4-Prop-1-En-2-Ylcyclohexene |
| IUPAC Name | 1-methyl-4-prop-1-en-2-ylcyclohexene |
| Canonical SMILES | CC1=CCC(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 |
| Standard InCHIKey | XMGQYMWWDOXHJM-UHFFFAOYSA-N |
| External Identifiers | ChEMBL [CHEMBL15799]; PubChem [22311]; |
| Reference of Component-Ingredient Pair | 23449869 |
Occurrence of the ingredient across TCM components
| Component ID | Latin Name | Pinyin Name | Chinese Name |
|---|---|---|---|
| TCMH211 | Atractylodes lancea | Cang Zhu | 苍术 |
| TCMH907 | Piper nigrum | Hu Jiao | 胡椒 |
| TCMH1063 | Curcuma longa | Jiang Huang | 姜黄 |
| TCMH2407 | Bupleurum chinense | Yan Tai Chai Hu | 烟台柴胡 |
| TCMH924 | Zanthoxylum bungeanum | Hua Jiao | 花椒 |
| TCMH2630 | Citrus aurantium | Zhi Shi | 枳实 |
| TCMH265 | Laggera pterodonta | Chu Ling Dan Cao | 臭灵丹草 |
| TCMH1753 | Boswellia carterii | Ru Xiang | 乳香 |
| TCMH2495 | Artemisia capillaris | Yin Chen Hao Gan Jin Gao | 茵陈蒿干浸膏 |
| TCMH1348 | Liquidambar formosana | Lu Lu Tong | 路路通 |
| TCMH1165 | Murraya paniculata | Jiu Li Xiang | 九里香 |
| TCMH2144 | Inula helenium | Tu Mu Xiang | 土木香 |
| TCMH2640 | Valeriana jatamansii | Zhi Zhu Xiang | 蜘蛛香 |
| TCMH1186 | Lycium chinense | Gou Qi Zi | 枸杞子 |
| TCMH120 | Atractylodes macrocephala | Bai Zhu | 白术 |
| TCMH317 | Capsella bursa-pastoris | Ci Cai | 荠菜 |
| TCMH1343 | Aloe vera | Lu Hui | 芦荟 |
| TCMH1141 | Schizonepeta tenuifolia | Jing Jie | 荆芥 |
| TCMH2265 | Cyperus rotundus | Xiang Fu | 香附 |
| TCMH1212 | Melia azedarach | Ku Lian Zi | 苦楝子 |
| TCMH2710 | Homo sapiens | Zi He Che | 紫河车 |
| TCMH1336 | Pandanus tectorius | Lu Dou | 露兜 |
| TCMH1825 | Litsea cubeba | Shan Jiang Zi | 山姜子 |
| TCMH2050 | Punica granatum | Suan Shi Liu | 酸石榴 |
| TCMH1894 | Pinellia ternata | Sheng Ban Xia | 生半夏 |
| TCMH1872 | Cnidium monnieri | She Ma Zi | 蛇麻子 |
| TCMH108 | Perilla frutescens | Bai Su Zi | 白苏子 |
| TCMH422 | Angelica sinensis | Dang Gui Gan Jin Gao | 当归干浸膏 |
| TCMH1839 | Panax ginseng | Shan Shen | 山参 |
| TCMH2309 | Allium macrostemon | Xie Bai | 薤白 |
| TCMH2239 | Asarum sieboldii | Xi Xin | 细辛 |
| TCMH685 | Syzygium aromaticum | Gong Ding Xiang | 公丁香 |
| TCMH619 | Citrus medica var. sarcodactylis | Fo Shou | 佛手 |
| TCMH1665 | Notopterygium incisum | Qiang Huo | 羌活 |
| TCMH670 | Ligusticum sinense | Gao Ben | 藁本 |
| TCMH2206 | Schisandra chinensis | Wu Wei Zi Liu Jin Gao | 五味子流浸膏 |
| TCMH2545 | Houttuynia cordata | Yu Xing Cao | 鱼腥草 |
| TCMH970 | Vitex negundo | Huang Jing Zi | 黄荆子 |
| TCMH223 | Platycladus orientalis | Ce Bai Tan | 侧柏炭 |
| TCMH1000 | Foeniculum vulgare | Hui Xiang | 茴香 |
| TCMH2698 | Valeriana officinalis | Zhua Di Hu | 抓地虎 |
| TCMH1903 | Zingiber officinale | Sheng Jiang | 生姜 |
| TCMH447 | Illicium difengpi | Di Feng Pi | 地枫皮 |
| TCMH502 | Rabdosia rubescens | Dong Ling Cao | 冬凌草 |
| TCMH1531 | Akebia quinata | Mu Tong | 木通 |
| TCMH148 | Glehnia littoralis | Bei Sha Shen Liu Jin Gao | 北沙参流浸膏 |
| TCMH1272 | Forsythia suspensa | Lian Qiao | 连翘 |
| TCMH160 | Piper cubeba | Bi Cheng Qie | 毕澄茄 |
| TCMH2216 | Evodia rutaecarpa | Wu Zhu Yu | 吴茱萸 |
| TCMH1741 | Myristica fragrans | Rou Dou Kou | 肉豆蔻 |
| TCMH1804 | Amomum villosum | Sha Ren Ye | 砂仁叶 |
| TCMH1184 | Citrus reticulata | Ju Pi | 橘皮 |
| TCMH2282 | Citrus medica | Xiang Yuan Pi | 香橼皮 |
| TCMH1777 | Panax notoginseng | San Qi Ye Jing | 三七叶茎 |
| TCMH191 | Mentha haplocalyx | Bo He You | 薄荷油 |
| 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 |
| TCMH1803 | Amomum villosum | Sha Ren | 砂仁 |
| TCMH421 | Angelica sinensis | Dang Gui | 当归 |
| TCMH1866 | Cnidium monnieri | She Chuang Zi | 蛇床子 |
| TCMH2281 | Citrus medica | Xiang Yuan | 香橼 |
| TCMH1225 | Valeriana officinalis | Kuan Ye Xie Cao | 宽叶缬草 |
| TCMH2310 | Valeriana officinalis | Xie Cao | 缬草 |
| TCMH1185 | Lycium chinense | Gou Qi | 枸杞 |
| TCMH1734 | Homo sapiens | Ren Zhong Bai | 人中白 |
| TCMH592 | Liquidambar formosana | Feng Xiang Ye | 枫香叶 |
| TCMH594 | Liquidambar formosana | Feng Xiang Zhi Chou Gao | 枫香脂稠膏 |
| TCMH310 | Melia azedarach | Chuan Lian | 川楝 |
| TCMH1211 | Melia azedarach | Ku Lian Pi | 苦楝皮 |
| TCMH130 | Pinellia ternata | Ban Xia | 半夏 |
| TCMH131 | Pinellia ternata | Ban Xia Qu | 半夏曲 |
| TCMH1677 | Pinellia ternata | Qing Ban Xia | 清半夏 |
| TCMH1943 | Punica granatum | Shi Liu | 石榴 |
| TCMH1944 | Punica granatum | Shi Liu Pi | 石榴皮 |
| TCMH1945 | Punica granatum | Shi Liu Zi | 石榴子 |
| 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 |
| TCMH1776 | Panax notoginseng | San Qi Ye | 三七叶 |
| TCMH309 | Curcuma longa | Chuan Yu Jin | 川郁金 |
| TCMH1178 | Citrus reticulata | Ju He | 橘核 |
| TCMH264 | Laggera pterodonta | Chu Ling Dan | 臭灵丹 |
| TCMH64 | Piper nigrum | Bai Hu Jiao | 白胡椒 |
| TCMH839 | Piper nigrum | Hei Hu Jiao | 黑胡椒 |
| TCMH511 | Litsea cubeba | Dou Chi Jiang | 豆豉姜 |
| TCMH1812 | Litsea cubeba | Shan Cang Zi | 山苍子 |
| TCMH1721 | Panax ginseng | Ren Shen | 人参 |
| TCMH1728 | Panax ginseng | Ren Shen Ye | 人参叶 |
| TCMH228 | Bupleurum chinense | Chai Hu | 柴胡 |
| TCMH229 | Bupleurum chinense | Chai Hu Jin Gao | 柴胡浸膏 |
| TCMH230 | Bupleurum chinense | Chai Hu Shao | 柴胡梢 |
| TCMH292 | Notopterygium incisum | Chuan Qiang Huo | 川羌活 |
| TCMH188 | Mentha haplocalyx | Bo He | 薄荷 |
| TCMH486 | Syzygium aromaticum | Ding Xiang | 丁香 |
| TCMH253 | Citrus aurantium | Cheng Pi | 橙皮 |
| TCMH2613 | Citrus aurantium | Zhi Geng | 枳梗 |
| TCMH2618 | Citrus aurantium | Zhi Ke | 枳壳 |
| TCMH2619 | Citrus aurantium | Zhi Ke Gan Jin Gao | 枳壳干浸膏 |
| TCMH2202 | Schisandra chinensis | Wu Wei Zi | 五味子 |
| TCMH2203 | Schisandra chinensis | Wu Wei Zi Chun Jin Gao | 五味子醇浸膏 |
| TCMH2204 | Schisandra chinensis | Wu Wei Zi Jin Chu Wu | 五味子浸出物 |
| TCMH2205 | Schisandra chinensis | Wu Wei Zi Jin Gao | 五味子浸膏 |
| TCMH147 | Glehnia littoralis | Bei Sha Shen | 北沙参 |
Ingredient ID: TCMC274
Formula: C6H14O
Ingredient ID: TCMC274
| 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 |
Occurrence of the ingredient across TCM components
| Component ID | Latin Name | Pinyin Name | Chinese Name |
|---|---|---|---|
| TCMH1126 | Craibiodendron yunnanese | Jin Ye Zi | 金叶子 |
| TCMH924 | Zanthoxylum bungeanum | Hua Jiao | 花椒 |
| TCMH2506 | Ginkgo biloba | Yin Xing Ye | 银杏叶 |
| TCMH2495 | Artemisia capillaris | Yin Chen Hao Gan Jin Gao | 茵陈蒿干浸膏 |
| TCMH1186 | Lycium chinense | Gou Qi Zi | 枸杞子 |
| TCMH317 | Capsella bursa-pastoris | Ci Cai | 荠菜 |
| TCMH1343 | Aloe vera | Lu Hui | 芦荟 |
| TCMH2077 | Prunus persica | Tao Zhi | 桃枝 |
| TCMH2710 | Homo sapiens | Zi He Che | 紫河车 |
| TCMH2050 | Punica granatum | Suan Shi Liu | 酸石榴 |
| TCMH1894 | Pinellia ternata | Sheng Ban Xia | 生半夏 |
| TCMH1979 | Flos lonicerae | Shuang Hua | 双花 |
| TCMH2462 | Crataegus pinnatifida | Ye Shan Zha | 野山楂 |
| TCMH108 | Perilla frutescens | Bai Su Zi | 白苏子 |
| TCMH2129 | Eupolyphaga sinensis | Tu Bie Chong | 土鳖虫 |
| TCMH2726 | Pterocarpus indicus | Zi Tan | 紫檀 |
| TCMH829 | Semen pharbitidis | Hei Chou | 黑丑 |
| TCMH1495 | Gossypium herbaceum | Mian Hua Gen | 棉花根 |
| TCMH1518 | Chaenomeles sinensis | Mu Gua | 木瓜 |
| TCMH2086 | Trichosanthes kirilowii | Tian Hua Fen | 天花粉 |
| TCMH1531 | Akebia quinata | Mu Tong | 木通 |
| TCMH562 | Saposhnikovia divaricata | Fang Feng | 防风 |
| TCMH132 | Scutellaria barbata | Ban Zhi Lian | 半枝莲 |
| TCMH892 | Hericium erinaceus | Hou Tou Jun | 猴头菌 |
| TCMH1714 | Lonicera japonica | Ren Dong Teng | 忍冬藤 |
| TCMH13 | Artemisia argyi | Ai Ye You | 艾叶油 |
| TCMH2211 | Artemisia princeps | Wu Yue Ai | 五月艾 |
| 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 |
| TCMH737 | Crataegus pinnatifida | Guang Shan Zha | 广山楂 |
| TCMH1848 | Crataegus pinnatifida | Shan Zha | 山楂 |
| TCMH1849 | Crataegus pinnatifida | Shan Zha Chou Gao | 山楂稠膏 |
| TCMH1852 | Crataegus pinnatifida | Shan Zha Qing Gao | 山楂清膏 |
| TCMH1853 | Crataegus pinnatifida | Shan Zha Tan | 山楂炭 |
| TCMH2071 | Prunus persica | Tao | 桃 |
| TCMH2073 | Prunus persica | Tao Ren | 桃仁 |
| TCMH2074 | Prunus persica | Tao Ren Shuang | 桃仁霜 |
| TCMH1127 | Lonicera japonica | Jin Yin Hua | 金银花 |
| TCMH1128 | Lonicera japonica | Jin Yin Hua Ti Qu Ye | 金银花提取液 |
| TCMH52 | Semen pharbitidis | Bai Chou | 白丑 |
| TCMH1185 | Lycium chinense | Gou Qi | 枸杞 |
| TCMH1734 | Homo sapiens | Ren Zhong Bai | 人中白 |
| TCMH130 | Pinellia ternata | Ban Xia | 半夏 |
| TCMH131 | Pinellia ternata | Ban Xia Qu | 半夏曲 |
| TCMH1677 | Pinellia ternata | Qing Ban Xia | 清半夏 |
| TCMH1943 | Punica granatum | Shi Liu | 石榴 |
| TCMH1944 | Punica granatum | Shi Liu Pi | 石榴皮 |
| TCMH1945 | Punica granatum | Shi Liu Zi | 石榴子 |
| TCMH705 | Trichosanthes kirilowii | Gua Lou | 瓜蒌 |
| TCMH706 | Trichosanthes kirilowii | Gua Lou Pi | 瓜蒌皮 |
| TCMH707 | Trichosanthes kirilowii | Gua Lou Ren | 瓜蒌仁 |
| TCMH708 | Trichosanthes kirilowii | Gua Lou Ren Shuang | 瓜蒌仁霜 |
| TCMH709 | Trichosanthes kirilowii | Gua Lou Shi | 栝蒌实 |
| TCMH711 | Trichosanthes kirilowii | Gua Lou Gen | 栝楼根 |
| TCMH712 | Trichosanthes kirilowii | Gua Lou Ren(1) | 栝楼仁 |
| TCMH12 | Artemisia argyi | Ai Ye | 艾叶 |
| TCMH60 | Ginkgo biloba | Bai Guo | 白果 |
| TCMH61 | Ginkgo biloba | Bai Guo Ren | 白果仁 |
Ingredient ID: TCMC247
Formula: C6H4Cl2
Ingredient ID: TCMC247
| Common Name | 1,4-Dichlorobenzene |
| IUPAC Name | 1,4-dichlorobenzene |
| Canonical SMILES | Clc1ccc(cc1)Cl |
| Standard InCHI | InChI=1S/C6H4Cl2/c7-5-1-2-6(8)4-3-5/h1-4H |
| Standard InCHIKey | OCJBOOLMMGQPQU-UHFFFAOYSA-N |
| External Identifiers | ChEMBL [CHEMBL190982]; PubChem [4685]; |
| Reference of Component-Ingredient Pair | N/A |
Occurrence of the ingredient across TCM components
| Component ID | Latin Name | Pinyin Name | Chinese Name |
|---|---|---|---|
| TCMH317 | Capsella bursa-pastoris | Ci Cai | 荠菜 |
| TCMH2710 | Homo sapiens | Zi He Che | 紫河车 |
| TCMH1734 | Homo sapiens | Ren Zhong Bai | 人中白 |
Ingredient ID: TCMC2381
Formula: C8H10O
Ingredient ID: TCMC2381
| 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 |
Occurrence of the ingredient across TCM components
| Component ID | Latin Name | Pinyin Name | Chinese Name |
|---|---|---|---|
| TCMH1862 | Cornus officinalis | Shan Zhu Yu | 山茱萸 |
| TCMH211 | Atractylodes lancea | Cang Zhu | 苍术 |
| TCMH1264 | Litchi chinensis | Li Zhi He | 荔枝核 |
| TCMH2506 | Ginkgo biloba | Yin Xing Ye | 银杏叶 |
| TCMH2495 | Artemisia capillaris | Yin Chen Hao Gan Jin Gao | 茵陈蒿干浸膏 |
| TCMH120 | Atractylodes macrocephala | Bai Zhu | 白术 |
| TCMH463 | Sanguisorba officinalis | Di Yu Tan | 地榆炭 |
| TCMH317 | Capsella bursa-pastoris | Ci Cai | 荠菜 |
| TCMH1343 | Aloe vera | Lu Hui | 芦荟 |
| TCMH2706 | Lithospermum erythrorhizon | Zi Cao | 紫草 |
| TCMH2710 | Homo sapiens | Zi He Che | 紫河车 |
| TCMH1979 | Flos lonicerae | Shuang Hua | 双花 |
| TCMH2129 | Eupolyphaga sinensis | Tu Bie Chong | 土鳖虫 |
| TCMH1518 | Chaenomeles sinensis | Mu Gua | 木瓜 |
| TCMH1665 | Notopterygium incisum | Qiang Huo | 羌活 |
| TCMH670 | Ligusticum sinense | Gao Ben | 藁本 |
| TCMH2206 | Schisandra chinensis | Wu Wei Zi Liu Jin Gao | 五味子流浸膏 |
| TCMH223 | Platycladus orientalis | Ce Bai Tan | 侧柏炭 |
| TCMH158 | Piper longum | Bi Ba | 荜茇 |
| TCMH202 | Bombyx mori | Can Yong | 蚕蛹 |
| TCMH2300 | Triticum aestivum | Xiao Mai | 小麦 |
| TCMH1531 | Akebia quinata | Mu Tong | 木通 |
| TCMH1466 | Rosa rugosa | Mei Gui Hua | 玫瑰花 |
| TCMH562 | Saposhnikovia divaricata | Fang Feng | 防风 |
| TCMH2558 | Rosa chinensis | Yue Ji Hua | 月季花 |
| TCMH114 | Platycladus orientalis | Bai Ye | 柏叶 |
| TCMH2121 | Semen astragali complanati | Tong Ji Li | 潼蒺藜 |
| TCMH2315 | Arnebia euchroma | Xin Jiang Zi Cao | 新疆紫草 |
| TCMH1714 | Lonicera japonica | Ren Dong Teng | 忍冬藤 |
| TCMH2593 | Octopus vulgaris | Zhang Yu | 章鱼 |
| TCMH13 | Artemisia argyi | Ai Ye You | 艾叶油 |
| TCMH1777 | Panax notoginseng | San Qi Ye Jing | 三七叶茎 |
| TCMH2211 | Artemisia princeps | Wu Yue Ai | 五月艾 |
| 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 |
| TCMH1175 | Cornus officinalis | Jiu Yu Rou | 酒萸肉 |
| TCMH1127 | Lonicera japonica | Jin Yin Hua | 金银花 |
| TCMH1128 | Lonicera japonica | Jin Yin Hua Ti Qu Ye | 金银花提取液 |
| TCMH1810 | Semen astragali complanati | Sha Yuan Ji Li | 沙苑蒺藜 |
| TCMH1811 | Semen astragali complanati | Sha Yuan Zi | 沙苑子 |
| 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 |
| TCMH1776 | Panax notoginseng | San Qi Ye | 三七叶 |
| TCMH75 | Bombyx mori | Bai Jiang Can | 白僵蚕 |
| TCMH197 | Bombyx mori | Can E | 蚕蛾 |
| TCMH200 | Bombyx mori | Can Jian | 蚕茧 |
| TCMH201 | Bombyx mori | Can Sha | 蚕砂 |
| TCMH462 | Sanguisorba officinalis | Di Yu | 地榆 |
| TCMH12 | Artemisia argyi | Ai Ye | 艾叶 |
| TCMH60 | Ginkgo biloba | Bai Guo | 白果 |
| TCMH61 | Ginkgo biloba | Bai Guo Ren | 白果仁 |
| TCMH292 | Notopterygium incisum | Chuan Qiang Huo | 川羌活 |
| TCMH2202 | Schisandra chinensis | Wu Wei Zi | 五味子 |
| TCMH2203 | Schisandra chinensis | Wu Wei Zi Chun Jin Gao | 五味子醇浸膏 |
| TCMH2204 | Schisandra chinensis | Wu Wei Zi Jin Chu Wu | 五味子浸出物 |
| TCMH2205 | Schisandra chinensis | Wu Wei Zi Jin Gao | 五味子浸膏 |
| TCMH250 | Triticum aestivum | Chen Xiao Mai Fen | 陈小麦粉 |
Ingredient ID: TCMC2110
Formula: C8H8
Ingredient ID: TCMC2110
| Common Name | Styrene |
| IUPAC Name | styrene |
| Canonical SMILES | C=Cc1ccccc1 |
| Standard InCHI | InChI=1S/C8H8/c1-2-8-6-4-3-5-7-8/h2-7H,1H2 |
| Standard InCHIKey | PPBRXRYQALVLMV-UHFFFAOYSA-N |
| External Identifiers | ChEMBL [CHEMBL285235]; PubChem [7501]; |
| Reference of Component-Ingredient Pair | 28951217 |
Occurrence of the ingredient across TCM components
| Component ID | Latin Name | Pinyin Name | Chinese Name |
|---|---|---|---|
| TCMH1862 | Cornus officinalis | Shan Zhu Yu | 山茱萸 |
| TCMH1746 | Cinnamomum cassia | Rou Gui Zi | 肉桂子 |
| TCMH2040 | Liquidambar orientalis | Su He Xiang | 苏合香 |
| TCMH317 | Capsella bursa-pastoris | Ci Cai | 荠菜 |
| TCMH25 | Styrax benzoin | An Xi Xiang | 安息香 |
| TCMH2710 | Homo sapiens | Zi He Che | 紫河车 |
| TCMH2129 | Eupolyphaga sinensis | Tu Bie Chong | 土鳖虫 |
| TCMH2589 | Cinnamomum camphora | Zhang Shu Zi | 樟树子 |
| TCMH829 | Semen pharbitidis | Hei Chou | 黑丑 |
| TCMH1611 | Rhizoma curcumae | Peng E Zhu | 蓬莪术 |
| TCMH1486 | Ephedra sinica | Mi Ma Huang | 蜜麻黄 |
| TCMH1744 | Oleum cinnamomi | Rou Gui Ye | 肉桂叶 |
| TCMH1000 | Foeniculum vulgare | Hui Xiang | 茴香 |
| TCMH1184 | Citrus reticulata | Ju Pi | 橘皮 |
| TCMH1175 | Cornus officinalis | Jiu Yu Rou | 酒萸肉 |
| TCMH52 | Semen pharbitidis | Bai Chou | 白丑 |
| TCMH1734 | Homo sapiens | Ren Zhong Bai | 人中白 |
| 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 |
| TCMH544 | Curcuma aeruginosa | E Zhu | 莪术 |
| TCMH740 | Rhizoma curcumae | Guang Xi E Zhu | 广西莪术 |
| TCMH1178 | Citrus reticulata | Ju He | 橘核 |
| TCMH716 | Cinnamomum cassia | Guan Gui | 官桂 |
| TCMH761 | Cinnamomum cassia | Gui Zhi | 桂枝 |
| TCMH1742 | Cinnamomum cassia | Rou Gui | 肉桂 |
| TCMH2584 | Cinnamomum camphora | Zhang Mu | 樟木 |
| TCMH2585 | Cinnamomum camphora | Zhang Nao | 樟脑 |
| TCMH2587 | Cinnamomum camphora | Zhang Nao Zi | 樟脑子 |
| TCMH2588 | Cinnamomum camphora | Zhang Shu Gen | 樟树根 |
Ingredient ID: TCMC2040
Formula: C19H21NO4
Ingredient ID: TCMC2040
| Common Name | Salutaridine |
| IUPAC Name | n.a. |
| Canonical SMILES | COC1=C[C@@]23CCN([C@@H](C2=CC1=O)Cc1c3c(O)c(cc1)OC)C |
| Standard InCHI | InChI=1S/C19H21NO4/c1-20-7-6-19-10-16(24-3)14(21)9-12(19)13(20)8-11-4-5-15(23-2)18(22)17(11)19/h4-5,9-10,13,22H,6-8H2,1-3H3/t13-,19+/m1/s1 |
| Standard InCHIKey | GVTRUVGBZQJVTF-YJYMSZOUSA-N |
| External Identifiers | ChEMBL [CHEMBL404097]; PubChem [5408233]; |
| Reference of Component-Ingredient Pair | 21475122 |
Occurrence of the ingredient across TCM components
| Component ID | Latin Name | Pinyin Name | Chinese Name |
|---|---|---|---|
| TCMH317 | Capsella bursa-pastoris | Ci Cai | 荠菜 |
| TCMH2515 | Papaver somniferum | Ying Su Ke | 罂粟壳 |
| TCMH74 | Patrinia villosa | Bai Jiang | 败酱 |
| TCMH1680 | Sinomenium acutum | Qing Feng Teng | 青风藤 |
| TCMH139 | Thlaspi arvense | Bei Bai Jiang | 北败酱 |
| TCMH1090 | Brassica juncea | Jie Zi | 芥子 |
| TCMH1512 | Isatis indigotica | Mu Da Qing Ye | 木大青叶 |
| TCMH126 | Isatis indigotica | Ban Lan | 板蓝 |
| TCMH127 | Isatis indigotica | Ban Lan Gen | 板蓝根 |
| TCMH381 | Isatis indigotica | Da Qing Ye | 大青叶 |
| TCMH1510 | Isatis indigotica | Mu Ban Lan Gen | 木板蓝根 |
| TCMH1489 | Papaver somniferum | Mi Ying Su Ke | 蜜罂粟壳 |
| TCMH2514 | Papaver somniferum | Ying Su | 罂粟 |
Ingredient ID: TCMC2020
Formula: C15H10O7
Ingredient ID: TCMC2020
| Common Name | Robinetin |
| IUPAC Name | 3,7-dihydroxy-2-(3,4,5-trihydroxyphenyl)chromen-4-one |
| Canonical SMILES | Oc1ccc2c(c1)oc(c(c2=O)O)c1cc(O)c(c(c1)O)O |
| Standard InCHI | InChI=1S/C15H10O7/c16-7-1-2-8-11(5-7)22-15(14(21)12(8)19)6-3-9(17)13(20)10(18)4-6/h1-5,16-18,20-21H |
| Standard InCHIKey | SOEDEYVDCDYMMH-UHFFFAOYSA-N |
| External Identifiers | ChEMBL [CHEMBL170405]; PubChem [5281692]; |
| Reference of Component-Ingredient Pair | N/A |
Occurrence of the ingredient across TCM components
| Component ID | Latin Name | Pinyin Name | Chinese Name |
|---|---|---|---|
| TCMH2630 | Citrus aurantium | Zhi Shi | 枳实 |
| TCMH429 | Swertia chinensis | Dang Yao | 当药 |
| TCMH317 | Capsella bursa-pastoris | Ci Cai | 荠菜 |
| TCMH253 | Citrus aurantium | Cheng Pi | 橙皮 |
| TCMH2613 | Citrus aurantium | Zhi Geng | 枳梗 |
| TCMH2618 | Citrus aurantium | Zhi Ke | 枳壳 |
| TCMH2619 | Citrus aurantium | Zhi Ke Gan Jin Gao | 枳壳干浸膏 |
Ingredient ID: TCMC1854
Formula: C5H10O
Ingredient ID: TCMC1854
| Common Name | Pentanal |
| IUPAC Name | pentanal |
| Canonical SMILES | CCCCC=O |
| Standard InCHI | InChI=1S/C5H10O/c1-2-3-4-5-6/h5H,2-4H2,1H3 |
| Standard InCHIKey | HGBOYTHUEUWSSQ-UHFFFAOYSA-N |
| External Identifiers | ChEMBL [CHEMBL18602]; PubChem [8063]; |
| Reference of Component-Ingredient Pair | 25014914 |
Occurrence of the ingredient across TCM components
| Component ID | Latin Name | Pinyin Name | Chinese Name |
|---|---|---|---|
| TCMH382 | Allium sativum | Da Suan | 大蒜 |
| TCMH317 | Capsella bursa-pastoris | Ci Cai | 荠菜 |
| TCMH1343 | Aloe vera | Lu Hui | 芦荟 |
| TCMH1791 | Loranthus parasiticus | Sang Ji Sheng | 桑寄生 |
| TCMH2710 | Homo sapiens | Zi He Che | 紫河车 |
| TCMH445 | Hypericum japonicum | Di Er Cao | 地耳草 |
| TCMH1299 | Ganoderma lucidum | Ling Zhi(1) | 灵芝 |
| TCMH2129 | Eupolyphaga sinensis | Tu Bie Chong | 土鳖虫 |
| TCMH202 | Bombyx mori | Can Yong | 蚕蛹 |
| TCMH562 | Saposhnikovia divaricata | Fang Feng | 防风 |
| TCMH892 | Hericium erinaceus | Hou Tou Jun | 猴头菌 |
| TCMH1777 | Panax notoginseng | San Qi Ye Jing | 三七叶茎 |
| 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 |
| TCMH1776 | Panax notoginseng | San Qi Ye | 三七叶 |
| TCMH75 | Bombyx mori | Bai Jiang Can | 白僵蚕 |
| TCMH197 | Bombyx mori | Can E | 蚕蛾 |
| TCMH200 | Bombyx mori | Can Jian | 蚕茧 |
| TCMH201 | Bombyx mori | Can Sha | 蚕砂 |
| TCMH1296 | Ganoderma lucidum | Ling Zhi Jin Gao | 灵芝浸膏 |
Ingredient ID: TCMC1777
Formula: C8H18O
Ingredient ID: TCMC1777
| Common Name | Octanol |
| IUPAC Name | octan-1-ol |
| Canonical SMILES | CCCCCCCCO |
| Standard InCHI | InChI=1S/C8H18O/c1-2-3-4-5-6-7-8-9/h9H,2-8H2,1H3 |
| Standard InCHIKey | KBPLFHHGFOOTCA-UHFFFAOYSA-N |
| External Identifiers | ChEMBL [CHEMBL26215]; PubChem [957]; |
| Reference of Component-Ingredient Pair | 23084055 |
Occurrence of the ingredient across TCM components
| Component ID | Latin Name | Pinyin Name | Chinese Name |
|---|---|---|---|
| TCMH2630 | Citrus aurantium | Zhi Shi | 枳实 |
| TCMH2506 | Ginkgo biloba | Yin Xing Ye | 银杏叶 |
| TCMH1753 | Boswellia carterii | Ru Xiang | 乳香 |
| TCMH2166 | Clematis chinensis | Wei Ling Xian | 威灵仙 |
| TCMH2201 | Securidaca inappendiculata | Wu Wei Teng | 五味藤 |
| TCMH1186 | Lycium chinense | Gou Qi Zi | 枸杞子 |
| TCMH317 | Capsella bursa-pastoris | Ci Cai | 荠菜 |
| TCMH1343 | Aloe vera | Lu Hui | 芦荟 |
| TCMH873 | Radix et rhizoma rhodiolae | Hong Jing Tian | 红景天 |
| TCMH2077 | Prunus persica | Tao Zhi | 桃枝 |
| TCMH2710 | Homo sapiens | Zi He Che | 紫河车 |
| TCMH1469 | Flos mume | Mei Hua | 梅花 |
| TCMH827 | Terminalia chebula | He Zi Rou | 诃子肉 |
| TCMH290 | Radix cudraniae | Chuan Po Shi | 穿破石 |
| TCMH2241 | Panax quinquefolium | Xi Yang Shen | 西洋参 |
| TCMH1299 | Ganoderma lucidum | Ling Zhi(1) | 灵芝 |
| TCMH1839 | Panax ginseng | Shan Shen | 山参 |
| TCMH2112 | Radix smilacis | Tie Si Wei Ling Xian | 铁丝威灵仙 |
| TCMH2129 | Eupolyphaga sinensis | Tu Bie Chong | 土鳖虫 |
| TCMH74 | Patrinia villosa | Bai Jiang | 败酱 |
| TCMH1486 | Ephedra sinica | Mi Ma Huang | 蜜麻黄 |
| TCMH1000 | Foeniculum vulgare | Hui Xiang | 茴香 |
| TCMH403 | Zanthoxylum echinocarpum | Dan Mian Zhen | 单面针 |
| TCMH148 | Glehnia littoralis | Bei Sha Shen Liu Jin Gao | 北沙参流浸膏 |
| TCMH1184 | Citrus reticulata | Ju Pi | 橘皮 |
| TCMH892 | Hericium erinaceus | Hou Tou Jun | 猴头菌 |
| TCMH98 | Cynanchum stauntonii | Bai Qian | 白前 |
| TCMH2071 | Prunus persica | Tao | 桃 |
| TCMH2073 | Prunus persica | Tao Ren | 桃仁 |
| TCMH2074 | Prunus persica | Tao Ren Shuang | 桃仁霜 |
| TCMH1292 | Radix smilacis | Ling Xian | 灵仙 |
| TCMH1185 | Lycium chinense | Gou Qi | 枸杞 |
| TCMH1734 | Homo sapiens | Ren Zhong Bai | 人中白 |
| 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 |
| TCMH1296 | Ganoderma lucidum | Ling Zhi Jin Gao | 灵芝浸膏 |
| TCMH1178 | Citrus reticulata | Ju He | 橘核 |
| TCMH210 | Terminalia chebula | Cang Qing Guo | 藏青果 |
| TCMH826 | Terminalia chebula | He Zi | 诃子 |
| TCMH1721 | Panax ginseng | Ren Shen | 人参 |
| TCMH1728 | Panax ginseng | Ren Shen Ye | 人参叶 |
| TCMH60 | Ginkgo biloba | Bai Guo | 白果 |
| TCMH61 | Ginkgo biloba | Bai Guo Ren | 白果仁 |
| TCMH2164 | Clematis chinensis | Wei Ling | 威灵 |
| TCMH253 | Citrus aurantium | Cheng Pi | 橙皮 |
| TCMH2613 | Citrus aurantium | Zhi Geng | 枳梗 |
| TCMH2618 | Citrus aurantium | Zhi Ke | 枳壳 |
| TCMH2619 | Citrus aurantium | Zhi Ke Gan Jin Gao | 枳壳干浸膏 |
| TCMH147 | Glehnia littoralis | Bei Sha Shen | 北沙参 |
Ingredient ID: TCMC158
Formula: C2H6S2
Ingredient ID: TCMC158
| Common Name | (Methyldisulfanyl)Methane |
| IUPAC Name | (methyldisulfanyl)methane |
| Canonical SMILES | CSSC |
| Standard InCHI | InChI=1S/C2H6S2/c1-3-4-2/h1-2H3 |
| Standard InCHIKey | WQOXQRCZOLPYPM-UHFFFAOYSA-N |
| External Identifiers | ChEMBL [CHEMBL1347061]; PubChem [12232]; |
| Reference of Component-Ingredient Pair | 22995928 |
Occurrence of the ingredient across TCM components
| Component ID | Latin Name | Pinyin Name | Chinese Name |
|---|---|---|---|
| TCMH382 | Allium sativum | Da Suan | 大蒜 |
| TCMH317 | Capsella bursa-pastoris | Ci Cai | 荠菜 |
| TCMH1791 | Loranthus parasiticus | Sang Ji Sheng | 桑寄生 |
| TCMH2710 | Homo sapiens | Zi He Che | 紫河车 |
| TCMH2462 | Crataegus pinnatifida | Ye Shan Zha | 野山楂 |
| TCMH2018 | Bulbus allii fistulosi | Si Ji Cong Tou | 四季葱头 |
| TCMH2414 | Allium cepa | Yang Cong Tou | 洋葱头 |
| TCMH1176 | Allium tuberosum | Jiu Zi | 韭子 |
| TCMH1029 | Paederia scandens | Ji Shi Teng | 鸡矢藤 |
| TCMH1155 | Allium tuberosum | Jiu Cai | 韭菜 |
| TCMH737 | Crataegus pinnatifida | Guang Shan Zha | 广山楂 |
| TCMH1848 | Crataegus pinnatifida | Shan Zha | 山楂 |
| TCMH1849 | Crataegus pinnatifida | Shan Zha Chou Gao | 山楂稠膏 |
| TCMH1852 | Crataegus pinnatifida | Shan Zha Qing Gao | 山楂清膏 |
| TCMH1853 | Crataegus pinnatifida | Shan Zha Tan | 山楂炭 |
| TCMH1734 | Homo sapiens | Ren Zhong Bai | 人中白 |
| TCMH2413 | Allium cepa | Yang Cong | 洋葱 |
| TCMH333 | Bulbus allii fistulosi | Cong | 葱 |
| TCMH336 | Bulbus allii fistulosi | Cong Tou | 葱头 |
Ingredient ID: TCMC1535
Formula: C6H14O6
Ingredient ID: TCMC1535
| Common Name | Mannitol |
| IUPAC Name | (2R,3R,4R,5R)-hexane-1,2,3,4,5,6-hexol |
| Canonical SMILES | OC[C@H]([C@H]([C@@H]([C@@H](CO)O)O)O)O |
| Standard InCHI | InChI=1S/C6H14O6/c7-1-3(9)5(11)6(12)4(10)2-8/h3-12H,1-2H2/t3-,4-,5-,6-/m1/s1 |
| Standard InCHIKey | FBPFZTCFMRRESA-KVTDHHQDSA-N |
| External Identifiers | ChEMBL [CHEMBL689]; PubChem [6251]; |
| Reference of Component-Ingredient Pair | 29968805 |
Occurrence of the ingredient across TCM components
| Component ID | Latin Name | Pinyin Name | Chinese Name |
|---|---|---|---|
| TCMH1939 | Combretum indicum | Shi Jun Zi Ren | 使君子仁 |
| TCMH1656 | Angelica decursiva | Qian Hu | 前胡 |
| TCMH1226 | Laminaria japonica | Kun Bu | 昆布 |
| TCMH797 | Sargassum | Hai Zao | 海藻 |
| TCMH2625 | Arisaema consanguineum | Zhi Nan Xing | 制南星 |
| TCMH438 | Juncus effusus | Deng Xin Cao | 灯心草 |
| TCMH1740 | Cistanche deserticola | Rou Cong Rong | 肉苁蓉 |
| TCMH2642 | Gardenia jasminoides | Zhi Zi Jin Gao | 栀子浸膏 |
| TCMH2137 | Pogostemon cablin | Tu Huo Xiang | 土藿香 |
| TCMH317 | Capsella bursa-pastoris | Ci Cai | 荠菜 |
| TCMH2710 | Homo sapiens | Zi He Che | 紫河车 |
| TCMH1499 | Changium smyrnioides | Ming Dang Shen | 明党参 |
| TCMH2050 | Punica granatum | Suan Shi Liu | 酸石榴 |
| TCMH1111 | Polygala glomerata | Jin Niu Cao | 金牛草 |
| TCMH2671 | Polyporus umbellatus | Zhu Ling | 猪苓 |
| TCMH2462 | Crataegus pinnatifida | Ye Shan Zha | 野山楂 |
| TCMH1299 | Ganoderma lucidum | Ling Zhi(1) | 灵芝 |
| TCMH905 | Picrorhiza kurrooa | Hu Huang Lian | 胡黄连 |
| TCMH2286 | Berberis julianae | Xiao Bo Gen | 小檗根 |
| TCMH1597 | Ligustrum lucidum | Nv Zhen Zi | 女贞子 |
| TCMH2322 | Prunus armeniaca | Xing Ren | 杏仁 |
| TCMH1197 | Selaginella tamariscina | Juan Bai | 卷柏 |
| TCMH1966 | Rehmannia glutinosa | Shu Di Huang | 熟地黄 |
| TCMH1285 | Orobanche coerulescens | Lie Dang | 列当 |
| TCMH1033 | Centella asiatica | Ji Xue Cao | 积雪草 |
| TCMH1121 | Cardiospermum halicacabum | Jin Si Ku Lian | 金丝苦楝 |
| TCMH1592 | Origanum vulgare | Niu Zhi | 牛至 |
| TCMH2370 | Commelina communis | Ya Zhi Cao | 鸭跖草 |
| TCMH202 | Bombyx mori | Can Yong | 蚕蛹 |
| TCMH494 | Cordyceps sinensis | Dong Chong Xia Cao | 冬虫夏草 |
| TCMH57 | Wolfiporia cocos | Bai Fu Ling | 白茯苓 |
| TCMH1176 | Allium tuberosum | Jiu Zi | 韭子 |
| TCMH710 | Trichosanthes kirilowii maxim | Gua Lou Zi | 瓜蒌子 |
| TCMH1635 | Typha angustata | Pu Huang Jin Gao | 蒲黄浸膏 |
| TCMH1155 | Allium tuberosum | Jiu Cai | 韭菜 |
| TCMH278 | Juncus effusus | Chuan Deng Xin Cao | 川灯心草 |
| TCMH737 | Crataegus pinnatifida | Guang Shan Zha | 广山楂 |
| TCMH1848 | Crataegus pinnatifida | Shan Zha | 山楂 |
| TCMH1849 | Crataegus pinnatifida | Shan Zha Chou Gao | 山楂稠膏 |
| TCMH1852 | Crataegus pinnatifida | Shan Zha Qing Gao | 山楂清膏 |
| TCMH1853 | Crataegus pinnatifida | Shan Zha Tan | 山楂炭 |
| TCMH1734 | Homo sapiens | Ren Zhong Bai | 人中白 |
| TCMH1943 | Punica granatum | Shi Liu | 石榴 |
| TCMH1944 | Punica granatum | Shi Liu Pi | 石榴皮 |
| TCMH1945 | Punica granatum | Shi Liu Zi | 石榴子 |
| TCMH75 | Bombyx mori | Bai Jiang Can | 白僵蚕 |
| TCMH197 | Bombyx mori | Can E | 蚕蛾 |
| TCMH200 | Bombyx mori | Can Jian | 蚕茧 |
| TCMH201 | Bombyx mori | Can Sha | 蚕砂 |
| TCMH1913 | Arisaema consanguineum | Sheng Tian Nan Xing | 生天南星 |
| TCMH2094 | Arisaema consanguineum | Tian Nan Xing | 天南星 |
| TCMH1296 | Ganoderma lucidum | Ling Zhi Jin Gao | 灵芝浸膏 |
| TCMH519 | Pogostemon cablin | Du Huo Xiang | 杜藿香 |
| TCMH728 | Pogostemon cablin | Guang Huo Xiang | 广藿香 |
| TCMH1008 | Pogostemon cablin | Huo Xiang | 藿香 |
| TCMH1009 | Pogostemon cablin | Huo Xiang Ye | 藿香叶 |
| TCMH1634 | Typha angustata | Pu Huang | 蒲黄 |
| TCMH8 | Rehmannia glutinosa | Ai Di Huang | 矮地黄 |
| TCMH451 | Rehmannia glutinosa | Di Huang | 地黄 |
| TCMH453 | Rehmannia glutinosa | Di Huang Tan | 地黄炭 |
| TCMH643 | Rehmannia glutinosa | Gan Di Huang | 干地黄 |
| TCMH1856 | Gardenia jasminoides | Shan Zhi | 山栀 |
| TCMH2641 | Gardenia jasminoides | Zhi Zi | 栀子 |
Ingredient ID: TCMC1315
Formula: C7H14O
Ingredient ID: TCMC1315
| 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 |
Occurrence of the ingredient across TCM components
| Component ID | Latin Name | Pinyin Name | Chinese Name |
|---|---|---|---|
| TCMH2407 | Bupleurum chinense | Yan Tai Chai Hu | 烟台柴胡 |
| TCMH2506 | Ginkgo biloba | Yin Xing Ye | 银杏叶 |
| TCMH1186 | Lycium chinense | Gou Qi Zi | 枸杞子 |
| TCMH307 | Cnidium officinale | Chuan Xiong Jin Gao | 川芎浸膏 |
| TCMH607 | Exodermis poria | Fu Ling Pi | 茯苓皮 |
| TCMH317 | Capsella bursa-pastoris | Ci Cai | 荠菜 |
| TCMH1343 | Aloe vera | Lu Hui | 芦荟 |
| TCMH2710 | Homo sapiens | Zi He Che | 紫河车 |
| TCMH1894 | Pinellia ternata | Sheng Ban Xia | 生半夏 |
| TCMH422 | Angelica sinensis | Dang Gui Gan Jin Gao | 当归干浸膏 |
| TCMH1839 | Panax ginseng | Shan Shen | 山参 |
| TCMH2129 | Eupolyphaga sinensis | Tu Bie Chong | 土鳖虫 |
| TCMH829 | Semen pharbitidis | Hei Chou | 黑丑 |
| TCMH74 | Patrinia villosa | Bai Jiang | 败酱 |
| TCMH670 | Ligusticum sinense | Gao Ben | 藁本 |
| TCMH2545 | Houttuynia cordata | Yu Xing Cao | 鱼腥草 |
| TCMH2056 | Cynomorium songaricum | Suo Yang | 锁阳 |
| TCMH1531 | Akebia quinata | Mu Tong | 木通 |
| TCMH148 | Glehnia littoralis | Bei Sha Shen Liu Jin Gao | 北沙参流浸膏 |
| TCMH348 | Lobelia chinensis | Da Ban Bian Lian | 大半边莲 |
| TCMH71 | Oldenlandia diffusa | Bai Hua She She Cao | 白花蛇舌草 |
| TCMH132 | Scutellaria barbata | Ban Zhi Lian | 半枝莲 |
| TCMH2180 | Ficus carica | Wu Hua Guo | 无花果 |
| TCMH1714 | Lonicera japonica | Ren Dong Teng | 忍冬藤 |
| TCMH13 | Artemisia argyi | Ai Ye You | 艾叶油 |
| TCMH1777 | Panax notoginseng | San Qi Ye Jing | 三七叶茎 |
| TCMH2211 | Artemisia princeps | Wu Yue Ai | 五月艾 |
| TCMH122 | Lobelia chinensis | Ban Bian Lian | 半边莲 |
| TCMH1127 | Lonicera japonica | Jin Yin Hua | 金银花 |
| TCMH1128 | Lonicera japonica | Jin Yin Hua Ti Qu Ye | 金银花提取液 |
| TCMH421 | Angelica sinensis | Dang Gui | 当归 |
| TCMH52 | Semen pharbitidis | Bai Chou | 白丑 |
| TCMH1185 | Lycium chinense | Gou Qi | 枸杞 |
| TCMH1734 | Homo sapiens | Ren Zhong Bai | 人中白 |
| TCMH130 | Pinellia ternata | Ban Xia | 半夏 |
| TCMH131 | Pinellia ternata | Ban Xia Qu | 半夏曲 |
| TCMH1677 | Pinellia ternata | Qing Ban Xia | 清半夏 |
| 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 |
| TCMH1776 | Panax notoginseng | San Qi Ye | 三七叶 |
| TCMH12 | Artemisia argyi | Ai Ye | 艾叶 |
| TCMH1721 | Panax ginseng | Ren Shen | 人参 |
| TCMH1728 | Panax ginseng | Ren Shen Ye | 人参叶 |
| TCMH228 | Bupleurum chinense | Chai Hu | 柴胡 |
| TCMH229 | Bupleurum chinense | Chai Hu Jin Gao | 柴胡浸膏 |
| TCMH230 | Bupleurum chinense | Chai Hu Shao | 柴胡梢 |
| TCMH60 | Ginkgo biloba | Bai Guo | 白果 |
| TCMH61 | Ginkgo biloba | Bai Guo Ren | 白果仁 |
| TCMH305 | Cnidium officinale | Chuan Xiong | 川芎 |
| TCMH147 | Glehnia littoralis | Bei Sha Shen | 北沙参 |
Ingredient ID: TCMC1194
Formula: C4H4O4
Ingredient ID: TCMC1194
| Common Name | Fumaric Acid |
| IUPAC Name | (E)-but-2-enedioic acid |
| Canonical SMILES | OC(=O)/C=C/C(=O)O |
| Standard InCHI | InChI=1S/C4H4O4/c5-3(6)1-2-4(7)8/h1-2H,(H,5,6)(H,7,8)/b2-1+ |
| Standard InCHIKey | VZCYOOQTPOCHFL-OWOJBTEDSA-N |
| External Identifiers | ChEMBL [CHEMBL503160]; PubChem [444972]; |
| Reference of Component-Ingredient Pair | 29968805 |
Occurrence of the ingredient across TCM components
| Component ID | Latin Name | Pinyin Name | Chinese Name |
|---|---|---|---|
| TCMH86 | Ampelopsis japonica | Bai Lian | 白蔹 |
| TCMH1571 | Daphniphyllum calycinum | Niu Er Feng | 牛耳枫 |
| TCMH2407 | Bupleurum chinense | Yan Tai Chai Hu | 烟台柴胡 |
| TCMH2630 | Citrus aurantium | Zhi Shi | 枳实 |
| TCMH429 | Swertia chinensis | Dang Yao | 当药 |
| TCMH281 | Dipsacus asper | Chuan Duan | 川断 |
| TCMH2137 | Pogostemon cablin | Tu Huo Xiang | 土藿香 |
| TCMH317 | Capsella bursa-pastoris | Ci Cai | 荠菜 |
| TCMH2515 | Papaver somniferum | Ying Su Ke | 罂粟壳 |
| TCMH1162 | Sarcandra glabra | Jiu Jie Cha | 九节茶 |
| TCMH2710 | Homo sapiens | Zi He Che | 紫河车 |
| TCMH422 | Angelica sinensis | Dang Gui Gan Jin Gao | 当归干浸膏 |
| TCMH2551 | Polygonatum odoratum | Yu Zhu | 玉竹 |
| TCMH1518 | Chaenomeles sinensis | Mu Gua | 木瓜 |
| TCMH2362 | Artemisia lactiflora | Ya Jiao Ai | 鸭脚艾 |
| TCMH2376 | Corydalis yanhusuo | Yan Hu Suo | 延胡索 |
| TCMH665 | Saccharum sinensis | Gan Zhe | 甘蔗 |
| TCMH1483 | Tussilago farfara | Mi Kuan Dong Hua | 蜜款冬花 |
| TCMH710 | Trichosanthes kirilowii maxim | Gua Lou Zi | 瓜蒌子 |
| TCMH2180 | Ficus carica | Wu Hua Guo | 无花果 |
| TCMH421 | Angelica sinensis | Dang Gui | 当归 |
| TCMH1734 | Homo sapiens | Ren Zhong Bai | 人中白 |
| TCMH221 | Sarcandra glabra | Cao Shan Hu Jin Gao | 草珊瑚浸膏 |
| TCMH228 | Bupleurum chinense | Chai Hu | 柴胡 |
| TCMH229 | Bupleurum chinense | Chai Hu Jin Gao | 柴胡浸膏 |
| TCMH230 | Bupleurum chinense | Chai Hu Shao | 柴胡梢 |
| TCMH519 | Pogostemon cablin | Du Huo Xiang | 杜藿香 |
| TCMH728 | Pogostemon cablin | Guang Huo Xiang | 广藿香 |
| TCMH1008 | Pogostemon cablin | Huo Xiang | 藿香 |
| TCMH1009 | Pogostemon cablin | Huo Xiang Ye | 藿香叶 |
| TCMH1223 | Tussilago farfara | Kuan Dong Hua | 款冬花 |
| TCMH253 | Citrus aurantium | Cheng Pi | 橙皮 |
| TCMH2613 | Citrus aurantium | Zhi Geng | 枳梗 |
| TCMH2618 | Citrus aurantium | Zhi Ke | 枳壳 |
| TCMH2619 | Citrus aurantium | Zhi Ke Gan Jin Gao | 枳壳干浸膏 |
| TCMH2017 | Artemisia lactiflora | Si Ji Cai | 四季菜 |
| TCMH1489 | Papaver somniferum | Mi Ying Su Ke | 蜜罂粟壳 |
| TCMH2514 | Papaver somniferum | Ying Su | 罂粟 |
Ingredient ID: TCMC1157
Formula: C10H18O
Ingredient ID: TCMC1157
| Common Name | Eucalyptol |
| IUPAC Name | 2,2,4-trimethyl-3-oxabicyclo[2.2.2]octane |
| Canonical SMILES | CC12CCC(CC1)C(O2)(C)C |
| Standard InCHI | InChI=1S/C10H18O/c1-9(2)8-4-6-10(3,11-9)7-5-8/h8H,4-7H2,1-3H3 |
| Standard InCHIKey | WEEGYLXZBRQIMU-UHFFFAOYSA-N |
| External Identifiers | ChEMBL [CHEMBL485259]; PubChem [2758]; |
| Reference of Component-Ingredient Pair | 26795242 |
Occurrence of the ingredient across TCM components
| Component ID | Latin Name | Pinyin Name | Chinese Name |
|---|---|---|---|
| TCMH216 | Fructus tsaoko | Cao Guo | 草果 |
| TCMH1063 | Curcuma longa | Jiang Huang | 姜黄 |
| TCMH2039 | Caulis perillae frutescentis | Su Geng | 苏梗 |
| TCMH924 | Zanthoxylum bungeanum | Hua Jiao | 花椒 |
| TCMH2630 | Citrus aurantium | Zhi Shi | 枳实 |
| TCMH265 | Laggera pterodonta | Chu Ling Dan Cao | 臭灵丹草 |
| TCMH1753 | Boswellia carterii | Ru Xiang | 乳香 |
| TCMH2495 | Artemisia capillaris | Yin Chen Hao Gan Jin Gao | 茵陈蒿干浸膏 |
| TCMH2012 | Lycopus lucidus | Shui Ze Lan | 水泽兰 |
| TCMH1835 | Kaempferia galanga | Shan Nai | 山柰 |
| TCMH1693 | Aristolochia debilis | Qing Mu Xiang | 青木香 |
| TCMH2143 | Sophora flavescens | Tu Ku Shen | 土苦参 |
| TCMH2144 | Inula helenium | Tu Mu Xiang | 土木香 |
| TCMH2513 | Rhododendron mucronulatum | Ying Shan Hong | 映山红 |
| TCMH491 | Oleum ocimi gratissimi | Ding Xiang Luo Le You | 丁香罗勒油 |
| TCMH2491 | Alpinia oxyphylla | Yi Zhi Ren | 益智仁 |
| TCMH53 | Amomum kravanh | Bai Dou Kou | 白豆蔻 |
| TCMH317 | Capsella bursa-pastoris | Ci Cai | 荠菜 |
| TCMH1343 | Aloe vera | Lu Hui | 芦荟 |
| TCMH1374 | Ocimum basilicum | Luo Le | 罗勒 |
| TCMH1541 | Herba artemisiae anomalae | Nan Liu Ji Nu | 南刘寄奴 |
| TCMH25 | Styrax benzoin | An Xi Xiang | 安息香 |
| TCMH2265 | Cyperus rotundus | Xiang Fu | 香附 |
| TCMH1923 | Acorus tatarinowii | Shi Chang Pu Qing Gao | 石菖蒲清膏 |
| TCMH1825 | Litsea cubeba | Shan Jiang Zi | 山姜子 |
| TCMH2505 | Siphonostegia chinensis | Yin Xing Cao | 阴行草 |
| TCMH151 | Rosmarinus officinalis | Bei Wu Wei | 北五味 |
| TCMH26 | Eucalyptus globulus | An Ye | 按叶 |
| TCMH108 | Perilla frutescens | Bai Su Zi | 白苏子 |
| TCMH860 | Fructus galangae | Hong Dou Kou | 红豆蔻 |
| TCMH1432 | Vitex trifolia | Man Jing Zi | 蔓荆子 |
| TCMH2239 | Asarum sieboldii | Xi Xin | 细辛 |
| TCMH388 | Ziziphus jujuba | Da Zao | 大枣 |
| TCMH2589 | Cinnamomum camphora | Zhang Shu Zi | 樟树子 |
| TCMH1393 | Verbena officinalis | Ma Bian Cao | 马鞭草 |
| TCMH685 | Syzygium aromaticum | Gong Ding Xiang | 公丁香 |
| TCMH1611 | Rhizoma curcumae | Peng E Zhu | 蓬莪术 |
| TCMH2284 | Ligum cinnamomi camphorae | Xiang Zhang Mu | 香樟木 |
| TCMH2551 | Polygonatum odoratum | Yu Zhu | 玉竹 |
| TCMH2651 | Elsholtzia splendens | Zhou Ye Xiang Ru | 皱叶香薷 |
| TCMH1486 | Ephedra sinica | Mi Ma Huang | 蜜麻黄 |
| TCMH1277 | Alpinia officinarum | Liang Jiang | 良姜 |
| TCMH970 | Vitex negundo | Huang Jing Zi | 黄荆子 |
| TCMH2532 | Curcuma aromatica | Yu Jin | 郁金 |
| TCMH2452 | Chrysanthemum indicum | Ye Ju Hua | 野菊花 |
| TCMH1000 | Foeniculum vulgare | Hui Xiang | 茴香 |
| TCMH2698 | Valeriana officinalis | Zhua Di Hu | 抓地虎 |
| TCMH1903 | Zingiber officinale | Sheng Jiang | 生姜 |
| TCMH447 | Illicium difengpi | Di Feng Pi | 地枫皮 |
| TCMH2320 | Magnolia liliflora | Xin Yi Ren | 辛夷仁 |
| TCMH961 | Artemisia scoparia | Huang Hao | 黄蒿 |
| TCMH1181 | Chrysanthemum morifolium | Ju Hua | 菊花 |
| TCMH2227 | Succinus | Xi Hu Po | 西琥珀 |
| TCMH502 | Rabdosia rubescens | Dong Ling Cao | 冬凌草 |
| TCMH1531 | Akebia quinata | Mu Tong | 木通 |
| TCMH160 | Piper cubeba | Bi Cheng Qie | 毕澄茄 |
| TCMH658 | Nardostachys chinensis | Gan Song | 甘松 |
| TCMH203 | Acorus calamus | Cang Chang Pu | 藏菖蒲 |
| TCMH1804 | Amomum villosum | Sha Ren Ye | 砂仁叶 |
| TCMH1686 | Canarium album | Qing Guo Tan | 青果炭 |
| TCMH13 | Artemisia argyi | Ai Ye You | 艾叶油 |
| TCMH2211 | Artemisia princeps | Wu Yue Ai | 五月艾 |
| 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 |
| TCMH1803 | Amomum villosum | Sha Ren | 砂仁 |
| TCMH916 | Succinus | Hu Po | 琥珀 |
| TCMH144 | Herba artemisiae anomalae | Bei Liu Ji Nu | 北刘寄奴 |
| TCMH1302 | Herba artemisiae anomalae | Liu Ji Nu | 刘寄奴 |
| TCMH1225 | Valeriana officinalis | Kuan Ye Xie Cao | 宽叶缬草 |
| TCMH2310 | Valeriana officinalis | Xie Cao | 缬草 |
| 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 |
| TCMH1215 | Sophora flavescens | Ku Shen | 苦参 |
| TCMH2080 | Sophora flavescens | Teng Ku Shen | 藤苦参 |
| TCMH1158 | Ocimum basilicum | Jiu Ceng Ta | 九层塔 |
| TCMH1290 | Ocimum basilicum | Ling Ling Xiang | 零陵香 |
| TCMH544 | Curcuma aeruginosa | E Zhu | 莪术 |
| TCMH740 | Rhizoma curcumae | Guang Xi E Zhu | 广西莪术 |
| TCMH1431 | Vitex trifolia | Man Jing Ye | 蔓荆叶 |
| TCMH2488 | Alpinia oxyphylla | Yi Zhi | 益智 |
| TCMH2276 | Elsholtzia splendens | Xiang Ru | 香薷 |
| TCMH672 | Alpinia officinarum | Gao Liang Jiang | 高良姜 |
| TCMH673 | Alpinia officinarum | Gao Liang Jiang You | 高良姜油 |
| TCMH309 | Curcuma longa | Chuan Yu Jin | 川郁金 |
| TCMH1397 | Aristolochia debilis | Ma Dou Ling | 马兜铃 |
| TCMH12 | Artemisia argyi | Ai Ye | 艾叶 |
| TCMH264 | Laggera pterodonta | Chu Ling Dan | 臭灵丹 |
| TCMH511 | Litsea cubeba | Dou Chi Jiang | 豆豉姜 |
| TCMH1812 | Litsea cubeba | Shan Cang Zi | 山苍子 |
| TCMH809 | Chrysanthemum morifolium | Hang Ju | 杭菊 |
| TCMH2316 | Magnolia liliflora | Xin Yi | 辛夷 |
| TCMH2317 | Magnolia liliflora | Xin Yi Hua | 辛夷花 |
| TCMH2319 | Magnolia liliflora | Xin Yi Hua Jin Gao Fen | 辛夷花浸膏粉 |
| TCMH486 | Syzygium aromaticum | Ding Xiang | 丁香 |
| TCMH650 | Canarium album | Gan Lan | 橄榄 |
| TCMH1683 | Canarium album | Qing Guo | 青果 |
| TCMH2584 | Cinnamomum camphora | Zhang Mu | 樟木 |
| TCMH2585 | Cinnamomum camphora | Zhang Nao | 樟脑 |
| TCMH2587 | Cinnamomum camphora | Zhang Nao Zi | 樟脑子 |
| TCMH2588 | Cinnamomum camphora | Zhang Shu Gen | 樟树根 |
| TCMH253 | Citrus aurantium | Cheng Pi | 橙皮 |
| TCMH2613 | Citrus aurantium | Zhi Geng | 枳梗 |
| TCMH2618 | Citrus aurantium | Zhi Ke | 枳壳 |
| TCMH2619 | Citrus aurantium | Zhi Ke Gan Jin Gao | 枳壳干浸膏 |
| TCMH1920 | Acorus tatarinowii | Shi Chang Pu | 石菖蒲 |
| TCMH1922 | Acorus tatarinowii | Shi Chang Pu Jin Gao | 石菖蒲浸膏 |
Properties
| Ingredient ID | Formulae | Name | MW | AlogP | MlogP | XlogP | # HBA | # HBD | PSA | # Rotatable Bond | # Ring | # Heacy Atom | Lipinski RO5 Violation |
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| TCMC158 | C2H6S2 | (Methyldisulfanyl)Methane | 93.99 | 1.3858 | 1.46 | 1.566 | 0 | 0 | 50.6 | 3 | 0 | 4 | 0 |
| TCMC247 | C6H4Cl2 | 1,4-Dichlorobenzene | 145.97 | 1.4886 | 1.9 | 2.988 | 0 | 0 | 0 | 2 | 1 | 8 | 0 |
| TCMC274 | C6H14O | 1-Hexanol | 102.1 | -1.5494 | 2.01 | 1.989 | 1 | 1 | 20.23 | 6 | 0 | 7 | 0 |
| TCMC284 | C10H16 | 1-Methyl-4-Prop-1-En-2-Ylcyclohexene | 136.13 | 2.1424 | 2.56 | 3.729 | 0 | 0 | 0 | 3 | 1 | 10 | 0 |
| TCMC330 | C6H8O | 2,4-Hexadienal | 96.06 | 1.076 | 2.01 | 1.511 | 1 | 0 | 17.07 | 3 | 0 | 7 | 0 |
| TCMC369 | C8H18O | 2-Ethylhexan-1-Ol | 130.14 | -1.2606 | 2.23 | 2.855 | 1 | 1 | 20.23 | 8 | 0 | 9 | 0 |
| TCMC487 | C6H7NO3S | 4-Azaniumylbenzenesulfonate | 173.01 | -1.2914 | 1.57 | -0.015 | 4 | 2 | 88.77 | 3 | 1 | 11 | 0 |
| TCMC619 | C7H16NO2 | Acetylcholine | 146.12 | -1.195 | 1.9 | -0.097 | 2 | 0 | 26.3 | 8 | 0 | 10 | 0 |
| TCMC662 | C4H5NS | Allyl Isothiocyanate | 99.01 | 0.7592 | 1.68 | 1.721 | 1 | 0 | 44.45 | 2 | 0 | 6 | 0 |
| TCMC761 | C7H6O | Benzaldehyde | 106.04 | -0.1924 | 2.12 | 3.08 | 1 | 0 | 17.07 | 1 | 1 | 8 | 0 |
| TCMC922 | C10H16O | Citral | 152.12 | 2.4893 | 2.45 | 2.701 | 1 | 0 | 17.07 | 7 | 0 | 11 | 0 |
| TCMC1157 | C10H18O | Eucalyptol | 154.14 | 1.3109 | 2.45 | 2.595 | 1 | 0 | 9.23 | 3 | 0 | 11 | 0 |
| TCMC1194 | C4H4O4 | Fumaric Acid | 116.01 | -0.2252 | 1.46 | -0.416 | 4 | 2 | 74.6 | 4 | 0 | 8 | 0 |
| TCMC1315 | C7H14O | Heptanal | 114.1 | -1.2583 | 2.12 | 2.863 | 1 | 0 | 17.07 | 6 | 0 | 8 | 0 |
| TCMC1535 | C6H14O6 | Mannitol | 182.08 | -2.9402 | 1.46 | -3.896 | 6 | 6 | 121.38 | 11 | 0 | 12 | 1 |
| TCMC1777 | C8H18O | Octanol | 130.14 | -2.1254 | 2.23 | 3.127 | 1 | 1 | 20.23 | 8 | 0 | 9 | 0 |
| TCMC1854 | C5H10O | Pentanal | 86.07 | -0.6823 | 1.9 | 1.725 | 1 | 0 | 17.07 | 4 | 0 | 6 | 0 |
| TCMC2020 | C15H10O7 | Robinetin | 302.04 | -2.8012 | 2.34 | 1.81 | 2 | 5 | 127.45 | 6 | 3 | 22 | 0 |
| TCMC2040 | C19H21NO4 | Salutaridine | 327.15 | -0.6163 | 3 | 1.283 | 3 | 1 | 59 | 6 | 4 | 24 | 0 |
| TCMC2110 | C8H8 | Styrene | 104.06 | 0.7075 | 2.34 | 4.954 | 0 | 0 | 0 | 1 | 1 | 8 | 0 |
| TCMC2381 | C8H10O | Phenylethyl Alcohol | 122.07 | -0.1931 | 2.23 | 3.189 | 1 | 1 | 20.23 | 3 | 1 | 9 | 0 |
Download Data
All data can be downloaded by:→ Selecting data type in the below download table
→ Then click the download button.
