Component ID |
TCMH207 |
Latin Name |
Fructus xanthii sibirici |
English Name |
NA |
Chinese Pinyin Name |
Cang Er Zi Jin Gao Fen |
中文名 |
è‹è€³å浸è†ç²‰ |
TCM Properties |
|
TCM Meridians |
|
Therapeutic Class English |
|
Therapeutic Class Chinese |
|
Functions |
|
Toxicity |
NA |
Geo-authentic habitats (道地产区) |
NA |
Reference |
CFDA |
Barcode ID |
KJ496390 |
Barcode Source |
GenBank |
| Prescription ID | Prescription English Name | Prescription Chinese Name |
|---|---|---|
| TCMFx3810 | Cang Er Zi Bi Yan Capsules | è‹è€³å鼻炎胶囊 |
| Target ID | Gene Symbol | Target Name | Target Class | Uniprot ID |
|---|---|---|---|---|
| TCMT336 | IDO1 | Indoleamine 2,3-dioxygenase | Oxidoreductase | P14902 |
| TCMT41 | IDH1 | Isocitrate dehydrogenase [NADP] cytoplasmic | Oxidoreductase | O75874 |
| TCMT45 | APP | Beta amyloid A4 protein | Unclassified | P05067 |
| Target ID | Target Name |
|---|---|
| TCMT1090 | Human immunodeficiency virus type 1 integrase |
| TCMT1104 | Sortase |
| TCMT1108 | Integrase |
| TCMT1218 | Staphylococcus aureus |
| TCMT1438 | Plasmodium falciparum |
Ingredient ID: TCMC995
Formula: C35H60O6
| Common Name | Daucosterol |
| IUPAC Name | (2R,3R,4S,5S,6R)-2-[[(3S,8S,9S,10R,13R,14S,17R)-17-[(2R,5R)-5-ethyl-6-methylheptan-2-yl]-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl]oxy]-6-(hydroxymethyl)oxane-3,4,5-triol |
| Canonical SMILES | CC[C@@H](C(C)C)CC[C@H]([C@H]1CC[C@@H]2[C@]1(C)CC[C@H]1[C@H]2CC=C2[C@]1(C)CC[C@@H](C2)O[C@@H]1O[C@H](CO)[C@H]([C@@H]([C@H]1O)O)O)C |
| Standard InCHI | InChI=1S/C35H60O6/c1-7-22(20(2)3)9-8-21(4)26-12-13-27-25-11-10-23-18-24(14-16-34(23,5)28(25)15-17-35(26,27)6)40-33-32(39)31(38)30(37)29(19-36)41-33/h10,20-22,24-33,36-39H,7-9,11-19H2,1-6H3/t21-,22-,24+,25+,26-,27+,28+,29-,30-,31+,32-,33-,34+,35-/m1/s1 |
| Standard InCHIKey | NPJICTMALKLTFW-OFUAXYCQSA-N |
| External Identifiers | ChEMBL [CHEMBL506678]; PubChem [5742590]; |
| Reference of Component-Ingredient Pair | 16261518 |
| Component ID | Latin Name | Pinyin Name | Chinese Name |
|---|---|---|---|
| TCMH86 | Ampelopsis japonica | Bai Lian | 白蔹 |
| TCMH1862 | Cornus officinalis | Shan Zhu Yu | å±±èŒ±è¸ |
| TCMH600 | Euonymus fortunei | Fu Fang Teng | 扶芳藤 |
| TCMH1673 | Gentiana macrophylla | Qin Jiao | 秦艽 |
| TCMH1739 | Ficus microcarpa | Rong Shu Ye | æ¦•æ ‘å¶ |
| TCMH945 | Sophora japonica | Huai Zhi | æ§æž |
| TCMH284 | Melia toosendan | Chuan Lian Zi | å·æ¥å |
| TCMH1656 | Angelica decursiva | Qian Hu | å‰èƒ¡ |
| TCMH695 | Uncaria rhynchophylla | Gou Teng | é’©è—¤ |
| TCMH1865 | Paeonia obovata | Shao Yao | èŠè¯ |
| TCMH1264 | Litchi chinensis | Li Zhi He | è”æžæ ¸ |
| TCMH1011 | Sargentodoxa cuneata | Huo Xue Teng | 活血藤 |
| TCMH1144 | Schizonepetae herba | Jing Jie Tan | è†èŠ¥ç‚ |
| TCMH63 | Lilium brownii | Bai He Liu Jin Gao | ç™¾åˆæµæµ¸è† |
| TCMH803 | Massa hanshi fermentata | Han Shi | 寒食 |
| TCMH271 | Clerodendrum trichotomum | Chou Wu Tong Ye | è‡æ¢§æ¡å¶ |
| TCMH1348 | Liquidambar formosana | Lu Lu Tong | 路路通 |
| TCMH123 | Pteris semipinnata | Ban Bian Qi | åŠè¾¹æ—— |
| TCMH1830 | Anisodus tanguticus | Shan Lang Dang | å±±èŽ¨èª |
| TCMH865 | Carthamus tinctorius | Hong Hua | 红花 |
| TCMH1186 | Lycium chinense | Gou Qi Zi | 枸æžå |
| TCMH845 | Auricularia auricula-judae | Hei Mu Er | 黑木耳 |
| TCMH1740 | Cistanche deserticola | Rou Cong Rong | 肉è‹è“‰ |
| TCMH1796 | Morus alba | Sang Shen Qing Gao | æ¡‘è‘šæ¸…è† |
| TCMH844 | Breynia fruticosa | Hei Mian Shen | 黑é¢ç¥ž |
| TCMH1674 | Gentiana straminea | Qin Jiao Hua | 秦艽花 |
| TCMH274 | Fritillaria cirrhosa | Chuan Bei Mu Liu Jin Gao | å·è´æ¯æµæµ¸è† |
| TCMH1562 | Arctium lappa | Niu Bang Zi | 牛蒡å |
| TCMH1460 | Zanthoxylum nitidum | Mao Liang Mian Zhen | 毛两é¢é’ˆ |
| TCMH316 | Ailanthi cortex | Chun Pi | 椿皮 |
| TCMH985 | Astragalus membranaceus | Huang Qi Ti Qu Ye | 黄芪æå–æ¶² |
| TCMH367 | Caulis sargentodoxae | Da Huo Xue | 大活血 |
| TCMH741 | Fructus choerospondiatis | Guang Zao | 广枣 |
| TCMH213 | Boschniakia rossica | Cao Cong Rong | è‰è‹è“‰ |
| TCMH1105 | Trollius chinensis | Jin Lian Hua | 金莲花 |
| TCMH748 | Euonymus alatus | Gui Jian Yu | 鬼ç®ç¾½ |
| TCMH207 | Fructus xanthii sibirici | Cang Er Zi Jin Gao Fen | è‹è€³å浸è†ç²‰ |
| TCMH1894 | Pinellia ternata | Sheng Ban Xia | 生åŠå¤ |
| TCMH409 | Salvia miltiorrhiza | Dan Shen Jin Gao | 䏹傿µ¸è† |
| TCMH445 | Hypericum japonicum | Di Er Cao | åœ°è€³è‰ |
| TCMH1122 | Psammosilene tunicoides | Jin Tie Suo | 金é“é” |
| TCMH108 | Perilla frutescens | Bai Su Zi | 白è‹å |
| TCMH1950 | Herba selaginellae doederleinii | Shi Shang Bai | çŸ³ä¸ŠæŸ |
| TCMH1299 | Ganoderma lucidum | Ling Zhi(1) | çµèŠ |
| TCMH1432 | Vitex trifolia | Man Jing Zi | 蔓è†å |
| TCMH1839 | Panax ginseng | Shan Shen | å±±å‚ |
| TCMH1519 | Oroxylum indicum | Mu Hu Die | 木è´è¶ |
| TCMH1446 | Vaccinium oxycoccos | Man Yue Mei | 蔓越莓 |
| TCMH1523 | Oleum viticis negundo | Mu Jing You | ç‰¡è†æ²¹ |
| TCMH1522 | Folium viticis negundo | Mu Jing Ye | 牡è†å¶ |
| TCMH1393 | Verbena officinalis | Ma Bian Cao | 马éžè‰ |
| TCMH829 | Semen pharbitidis | Hei Chou | 黑丑 |
| TCMH366 | Rheum officinale | Da Huang Liu Jin Gao | å¤§é»„æµæµ¸è† |
| TCMH1601 | Nelumbo nucifera | Ou Pian | 藕片 |
| TCMH1611 | Rhizoma curcumae | Peng E Zhu | 蓬莪术 |
| TCMH255 | Vigna angularis | Chi Dou | 赤豆 |
| TCMH1197 | Selaginella tamariscina | Juan Bai | å·æŸ |
| TCMH37 | Smilax china | Ba Qia | è葜 |
| TCMH287 | Clematidis armandii caulis | Chuan Mu Tong | å·æœ¨é€š |
| TCMH1078 | Fructus gardeniae preparata | Jiao Shan Zhi | ç„¦å±±æ € |
| TCMH1518 | Chaenomeles sinensis | Mu Gua | 木瓜 |
| TCMH1285 | Orobanche coerulescens | Lie Dang | 列当 |
| TCMH1798 | Morus alba | Sang Zhi | æ¡‘æž |
| TCMH670 | Ligusticum sinense | Gao Ben | è—æœ¬ |
| TCMH1033 | Centella asiatica | Ji Xue Cao | ç§¯é›ªè‰ |
| TCMH1823 | Alpinia zerumbet | Shan Jiang | 山姜 |
| TCMH1889 | Lycopodium japonicum | Shen Jin Cao | 伸ç‹è‰ |
| TCMH1117 | Rhizoma fagopyri cymosi | Jin Qiao Mai | 金èžéº¦ |
| TCMH1958 | Diospyros kaki | Shi Ye | æŸ¿å¶ |
| TCMH1396 | Portulaca oleracea | Ma Chi Xian | 马齿苋 |
| TCMH1371 | Arachis hypogaea | Luo Hua Sheng Zhi Ye | è½èŠ±ç”Ÿæžå¶ |
| TCMH970 | Vitex negundo | Huang Jing Zi | 黄è†å |
| TCMH1539 | Cucurbita moschata | Nan Gua | å—瓜 |
| TCMH1038 | Spatholobus suberectus | Ji Xue Teng Gao | é¸¡è¡€è—¤è† |
| TCMH1766 | Sparganium stoloniferum | San Ling | 三棱 |
| TCMH1032 | Impatiens balsamina | Ji Xing Zi | 急性å |
| TCMH1660 | Senecio scandens | Qian Li Guang | åƒé‡Œå…‰ |
| TCMH864 | Aster ageratoides | Hong Guan Yao | çº¢ç®¡è¯ |
| TCMH1121 | Cardiospermum halicacabum | Jin Si Ku Lian | 金ä¸è‹¦æ¥ |
| TCMH500 | Benincasa hispida | Dong Gua Zi | 冬瓜å |
| TCMH563 | Anisomeles indica | Fang Feng Cao | é˜²é£Žè‰ |
| TCMH1448 | Mangifera indica | Mang Guo Ye | èŠ’æžœå¶ |
| TCMH1176 | Allium tuberosum | Jiu Zi | éŸå |
| TCMH1588 | Achyranthes bidentata | Niu Xi | ç‰›è† |
| TCMH1135 | Rosa laevigata | Jin Ying Zi Ti Qu Ye | 金樱åæå–æ¶² |
| TCMH76 | Thlaspi arvense | Bai Jiang Cao | è´¥é…±è‰ |
| TCMH1531 | Akebia quinata | Mu Tong | 木通 |
| TCMH1179 | Citri exocarpium rubrum | Ju Hong | 橘红 |
| TCMH1132 | Radix rosae laevigatae | Jin Ying Gen | é‡‘æ¨±æ ¹ |
| TCMH348 | Lobelia chinensis | Da Ban Bian Lian | 大åŠè¾¹è޲ |
| TCMH562 | Saposhnikovia divaricata | Fang Feng | 防风 |
| TCMH906 | Viscum coloratum | Hu Ji Sheng | 槲寄生 |
| TCMH1804 | Amomum villosum | Sha Ren Ye | ç ‚ä»å¶ |
| TCMH1305 | Laggera alata | Liu Ling Ju | å…æ£±èŠ |
| TCMH1428 | Ophiopogon japonicus | Mai Men Dong | 麦门冬 |
| TCMH1965 | Rheum palmatum | Shu Da Huang | 熟大黄 |
| TCMH1714 | Lonicera japonica | Ren Dong Teng | å¿å†¬è—¤ |
| TCMH1777 | Panax notoginseng | San Qi Ye Jing | 三七å¶èŒŽ |
| TCMH385 | Sargentodoxa cuneata | Da Xue Teng | 大血藤 |
| TCMH1155 | Allium tuberosum | Jiu Cai | éŸèœ |
| TCMH149 | Lepidium apetalum | Bei Ting Li Zi | 北葶苈å |
| TCMH590 | Impatiens balsamina | Feng Xian Hua | 凤仙花 |
| TCMH591 | Impatiens balsamina | Feng Xian Tou Gu Cao | 凤仙é€éª¨è‰ |
| TCMH1759 | Asparagus cochinchinensis | San Bai Bang | 三百棒 |
| TCMH1803 | Amomum villosum | Sha Ren | ç ‚ä» |
| TCMH737 | Crataegus pinnatifida | Guang Shan Zha | 广山楂 |
| TCMH1848 | Crataegus pinnatifida | Shan Zha | 山楂 |
| TCMH1849 | Crataegus pinnatifida | Shan Zha Chou Gao | å±±æ¥‚ç¨ è† |
| TCMH1852 | Crataegus pinnatifida | Shan Zha Qing Gao | å±±æ¥‚æ¸…è† |
| TCMH1853 | Crataegus pinnatifida | Shan Zha Tan | å±±æ¥‚ç‚ |
| TCMH1175 | Cornus officinalis | Jiu Yu Rou | é…’è¸è‚‰ |
| TCMH273 | Fritillaria cirrhosa | Chuan Bei Mu | å·è´æ¯ |
| TCMH918 | Elaeagnus pungens | Hu Tui Zi Ye | 胡颓åå¶ |
| TCMH122 | Lobelia chinensis | Ban Bian Lian | åŠè¾¹è޲ |
| TCMH62 | Lilium brownii | Bai He | ç™¾åˆ |
| TCMH1584 | Achyranthes bidentata | Niu Teng | 牛藤 |
| TCMH1127 | Lonicera japonica | Jin Yin Hua | 金银花 |
| TCMH1128 | Lonicera japonica | Jin Yin Hua Ti Qu Ye | 金银花æå–æ¶² |
| TCMH498 | Benincasa hispida | Dong Gua Pi | 冬瓜皮 |
| TCMH52 | Semen pharbitidis | Bai Chou | 白丑 |
| TCMH1185 | Lycium chinense | Gou Qi | æž¸æž |
| TCMH592 | Liquidambar formosana | Feng Xiang Ye | æž«é¦™å¶ |
| TCMH594 | Liquidambar formosana | Feng Xiang Zhi Chou Gao | æž«é¦™è„‚ç¨ è† |
| TCMH1738 | Ficus microcarpa | Rong Shu Xu | æ¦•æ ‘é¡» |
| TCMH270 | Clerodendrum trichotomum | Chou Wu Tong | è‡æ¢§æ¡ |
| TCMH130 | Pinellia ternata | Ban Xia | åŠå¤ |
| TCMH131 | Pinellia ternata | Ban Xia Qu | åŠå¤æ›² |
| TCMH1677 | Pinellia ternata | Qing Ban Xia | 清åŠå¤ |
| TCMH544 | Curcuma aeruginosa | E Zhu | 莪术 |
| TCMH740 | Rhizoma curcumae | Guang Xi E Zhu | 广西莪术 |
| TCMH938 | Sophora japonica | Huai Hua | æ§èб |
| TCMH940 | Sophora japonica | Huai Jiao | æ§è§’ |
| TCMH941 | Sophora japonica | Huai Mi | æ§ç±³ |
| TCMH363 | Rheum officinale | Da Huang | 大黄 |
| TCMH365 | Rheum officinale | Da Huang Jin Gao | å¤§é»„æµ¸è† |
| TCMH1943 | Punica granatum | Shi Liu | 石榴 |
| TCMH1944 | Punica granatum | Shi Liu Pi | 石榴皮 |
| TCMH1945 | Punica granatum | Shi Liu Zi | 石榴å |
| TCMH1431 | Vitex trifolia | Man Jing Ye | 蔓è†å¶ |
| TCMH258 | Paeonia obovata | Chi Shao | èµ¤èŠ |
| TCMH1770 | Panax notoginseng | San Qi Gan Jin Gao | ä¸‰ä¸ƒå¹²æµ¸è† |
| TCMH1771 | Panax notoginseng | San Qi Gao Fen | 三七è†ç²‰ |
| TCMH1772 | Panax notoginseng | San Qi Hua | 三七花 |
| TCMH1774 | Panax notoginseng | San Qi Jing Ye | ä¸‰ä¸ƒèŒŽå¶ |
| TCMH1776 | Panax notoginseng | San Qi Ye | ä¸‰ä¸ƒå¶ |
| TCMH206 | Fructus xanthii sibirici | Cang Er Zi | è‹è€³å |
| TCMH981 | Astragalus membranaceus | Huang Qi | 黄芪 |
| TCMH983 | Astragalus membranaceus | Huang Qi Gan Jin Gao | é»„èŠªå¹²æµ¸è† |
| TCMH984 | Astragalus membranaceus | Huang Qi Jin Gao | é»„èŠªæµ¸è† |
| TCMH1296 | Ganoderma lucidum | Ling Zhi Jin Gao | çµèŠæµ¸è† |
| TCMH209 | Anisodus tanguticus | Cang Qie Gen | è—èŒ„æ ¹ |
| TCMH469 | Spatholobus suberectus | Dian Ji Xue Teng Gao Fen | 滇鸡血藤è†ç²‰ |
| TCMH1036 | Spatholobus suberectus | Ji Xue Teng | 鸡血藤 |
| TCMH1037 | Spatholobus suberectus | Ji Xue Teng Gan Gao | é¸¡è¡€è—¤å¹²è† |
| TCMH1792 | Morus alba | Sang Pi | æ¡‘çš® |
| TCMH1797 | Morus alba | Sang Ye | æ¡‘å¶ |
| TCMH1721 | Panax ginseng | Ren Shen | äººå‚ |
| TCMH1728 | Panax ginseng | Ren Shen Ye | 人å‚å¶ |
| TCMH519 | Pogostemon cablin | Du Huo Xiang | æœè—¿é¦™ |
| TCMH728 | Pogostemon cablin | Guang Huo Xiang | 广藿香 |
| TCMH1008 | Pogostemon cablin | Huo Xiang | 藿香 |
| TCMH1009 | Pogostemon cablin | Huo Xiang Ye | è—¿é¦™å¶ |
| TCMH1927 | Diospyros kaki | Shi Di | 柿蒂 |
| TCMH814 | Nelumbo nucifera | He Geng | è·æ¢— |
| TCMH825 | Nelumbo nucifera | He Ye | è·å¶ |
| TCMH1275 | Nelumbo nucifera | Lian Zi | 莲å |
| TCMH1276 | Nelumbo nucifera | Lian Zi Xin | 莲å心 |
| TCMH1598 | Nelumbo nucifera | Ou | è—• |
| TCMH1599 | Nelumbo nucifera | Ou Fen | 藕粉 |
| TCMH930 | Arachis hypogaea | Hua Sheng | 花生 |
| TCMH931 | Arachis hypogaea | Hua Sheng Mi | 花生米 |
| TCMH407 | Salvia miltiorrhiza | Dan Shen | ä¸¹å‚ |
| TCMH408 | Salvia miltiorrhiza | Dan Shen Gan Jin Gao | 丹å‚å¹²æµ¸è† |
| TCMH1794 | Morus alba | Sang Shen | 桑葚 |
| TCMH1795 | Morus alba | Sang Shen Jin Gao | æ¡‘è‘šæµ¸è† |
| TCMH1133 | Rosa laevigata | Jin Ying Zi | 金樱å |
| TCMH1134 | Rosa laevigata | Jin Ying Zi Rou | 金樱å肉 |
| TCMH1423 | Ophiopogon japonicus | Mai Dong | 麦冬 |
| TCMH1424 | Ophiopogon japonicus | Mai Dong Men | 麦冬门 |
| TCMH1425 | Ophiopogon japonicus | Mai Dong Rou | 麦冬肉 |
| TCMH1489 | Papaver somniferum | Mi Ying Su Ke | 蜜罂粟壳 |
| TCMH2595 | Rhododendron micranthum | Zhao Shan Bai | 照山白 |
| TCMH2166 | Clematis chinensis | Wei Ling Xian | å¨çµä»™ |
| TCMH2513 | Rhododendron mucronulatum | Ying Shan Hong | æ˜ å±±çº¢ |
| TCMH2134 | Smilax glabra | Tu Fu Ling | 土茯苓 |
| TCMH2185 | Acanthopanax gracilistylus | Wu Jia Pi | äº”åŠ çš® |
| TCMH2244 | Prunella vulgaris | Xia Ku Cao | 夿ž¯è‰ |
| TCMH2491 | Alpinia oxyphylla | Yi Zhi Ren | ç›Šæ™ºä» |
| TCMH2137 | Pogostemon cablin | Tu Huo Xiang | 土藿香 |
| TCMH2515 | Papaver somniferum | Ying Su Ke | 罂粟壳 |
| TCMH2265 | Cyperus rotundus | Xiang Fu | 香附 |
| TCMH2218 | Rubia cordifolia | Qian Cao Teng | 茜è‰è—¤ |
| TCMH2556 | Polygala tenuifolia | Yuan Zhi Liu Jin Gao | è¿œå¿—æµæµ¸è† |
| TCMH2436 | Elaeagnus pungens | Yang Nai Nai Ye | ç¾Šå¥¶å¥¶å¶ |
| TCMH2077 | Prunus persica | Tao Zhi | æ¡ƒæž |
| TCMH2050 | Punica granatum | Suan Shi Liu | 酸石榴 |
| TCMH2275 | Dracocephalum moldavica | Xiang Qing Lan | 香é’å…° |
| TCMH2462 | Crataegus pinnatifida | Ye Shan Zha | 野山楂 |
| TCMH2286 | Berberis julianae | Xiao Bo Gen | å°æª—æ ¹ |
| TCMH2090 | Gastrodia elata | Tian Ma | 天麻 |
| TCMH2232 | Scutellaria amoena | Xi Nan Huang Qin | 西å—黄芩 |
| TCMH2726 | Pterocarpus indicus | Zi Tan | 紫檀 |
| TCMH2263 | Isodon amethystoides | Xiang Cha Cai | é¦™èŒ¶èœ |
| TCMH2452 | Chrysanthemum indicum | Ye Ju Hua | 野èŠèб |
| TCMH2356 | Daemonorops draco | Xue Xie | è¡€èŽ |
| TCMH2117 | Lepidium apetalum | Ting Li Zi | 葶苈å |
| TCMH2371 | Juniperus formosana | Yan Bai | å²©æŸ |
| TCMH2511 | Zanthoxylum avicennae | Ying Bu Bo | 鹰䏿³Š |
| TCMH2213 | Ipomoea cairica | Wu Zhao Long | 五爪龙 |
| TCMH2092 | Asparagus cochinchinensis | Tian Men Dong | 天门冬 |
| TCMH2116 | Lepidium apetalum | Ting Li Cao | è‘¶è‹ˆè‰ |
| TCMH2084 | Asparagus cochinchinensis | Tian Dong | 天冬 |
| TCMH2071 | Prunus persica | Tao | 桃 |
| TCMH2073 | Prunus persica | Tao Ren | æ¡ƒä» |
| TCMH2074 | Prunus persica | Tao Ren Shuang | 桃ä»éœœ |
| TCMH2488 | Alpinia oxyphylla | Yi Zhi | 益智 |
| TCMH2554 | Polygala tenuifolia | Yuan Zhi | 远志 |
| TCMH2555 | Polygala tenuifolia | Yuan Zhi Jin Gao | è¿œå¿—æµ¸è† |
| TCMH2082 | Acanthopanax gracilistylus | Teng Wu Jia Gen | è—¤äº”åŠ æ ¹ |
| TCMH2139 | Acanthopanax gracilistylus | Tu Jia Pi | åœŸåŠ çš® |
| TCMH2152 | Acanthopanax gracilistylus | Tu Wu Jia | åœŸäº”åŠ |
| TCMH2164 | Clematis chinensis | Wei Ling | å¨çµ |
| TCMH2514 | Papaver somniferum | Ying Su | 罂粟 |
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 |
|---|---|---|---|
| TCMH611 | Rubus idaeus | Fu Pen Zi | 覆盆å |
| TCMH600 | Euonymus fortunei | Fu Fang Teng | 扶芳藤 |
| TCMH271 | Clerodendrum trichotomum | Chou Wu Tong Ye | è‡æ¢§æ¡å¶ |
| TCMH143 | Albizia julibrissin | Bei He Huan | åŒ—åˆæ¬¢ |
| TCMH123 | Pteris semipinnata | Ban Bian Qi | åŠè¾¹æ—— |
| TCMH865 | Carthamus tinctorius | Hong Hua | 红花 |
| TCMH438 | Juncus effusus | Deng Xin Cao | ç¯å¿ƒè‰ |
| TCMH1498 | Ranunculus ternatus | Mao Zhao Cao | çŒ«çˆªè‰ |
| TCMH25 | Styrax benzoin | An Xi Xiang | 安æ¯é¦™ |
| TCMH1923 | Acorus tatarinowii | Shi Chang Pu Qing Gao | 石è–è’²æ¸…è† |
| TCMH213 | Boschniakia rossica | Cao Cong Rong | è‰è‹è“‰ |
| TCMH207 | Fructus xanthii sibirici | Cang Er Zi Jin Gao Fen | è‹è€³å浸è†ç²‰ |
| TCMH860 | Fructus galangae | Hong Dou Kou | 红豆蔻 |
| TCMH193 | Psoralea corylifolia | Bu Gu Zhi | 补骨脂 |
| TCMH1117 | Rhizoma fagopyri cymosi | Jin Qiao Mai | 金èžéº¦ |
| TCMH970 | Vitex negundo | Huang Jing Zi | 黄è†å |
| TCMH1766 | Sparganium stoloniferum | San Ling | 三棱 |
| TCMH1903 | Zingiber officinale | Sheng Jiang | 生姜 |
| TCMH1535 | Equisetum hiemale | Mu Zei | 木贼 |
| TCMH1339 | Phragmites communis | Lu Gen | èŠ¦æ ¹ |
| TCMH1706 | Dianthus superbus | Qu Mai | 瞿麦 |
| TCMH132 | Scutellaria barbata | Ban Zhi Lian | åŠæžè޲ |
| TCMH1305 | Laggera alata | Liu Ling Ju | å…æ£±èŠ |
| TCMH1714 | Lonicera japonica | Ren Dong Teng | å¿å†¬è—¤ |
| TCMH1086 | Sambucus williamsii | Jie Gu Mu | 接骨木 |
| TCMH72 | Bletilla striata | Bai Ji | 白芨 |
| TCMH278 | Juncus effusus | Chuan Deng Xin Cao | å·ç¯å¿ƒè‰ |
| TCMH1127 | Lonicera japonica | Jin Yin Hua | 金银花 |
| TCMH1128 | Lonicera japonica | Jin Yin Hua Ti Qu Ye | 金银花æå–æ¶² |
| TCMH1734 | Homo sapiens | Ren Zhong Bai | 人ä¸ç™½ |
| TCMH270 | Clerodendrum trichotomum | Chou Wu Tong | è‡æ¢§æ¡ |
| TCMH206 | Fructus xanthii sibirici | Cang Er Zi | è‹è€³å |
| TCMH1920 | Acorus tatarinowii | Shi Chang Pu | 石è–è’² |
| TCMH1922 | Acorus tatarinowii | Shi Chang Pu Jin Gao | 石è–è’²æµ¸è† |
| TCMH1489 | Papaver somniferum | Mi Ying Su Ke | 蜜罂粟壳 |
| TCMH2298 | Cirsium arvense | Xiao Ji Tan | å°è“Ÿç‚ |
| TCMH2513 | Rhododendron mucronulatum | Ying Shan Hong | æ˜ å±±çº¢ |
| TCMH2515 | Papaver somniferum | Ying Su Ke | 罂粟壳 |
| TCMH2710 | Homo sapiens | Zi He Che | 紫河车 |
| TCMH2090 | Gastrodia elata | Tian Ma | 天麻 |
| TCMH2360 | Brucea javanica | Ya Dan Zi | 鸦胆å |
| TCMH2429 | Bletilla striata | Yang Jiao Qi | 羊角七 |
| TCMH2195 | Zaocys | Wu Shao She | 乌梢蛇 |
| TCMH2356 | Daemonorops draco | Xue Xie | è¡€èŽ |
| TCMH2267 | Periploca sepium | Xiang Jia Pi | é¦™åŠ çš® |
| TCMH2069 | Aconitum tanguticum | Tang Gu Te Wu Tou | å”å¤ç‰¹ä¹Œå¤´ |
| TCMH2509 | Epimedium brevicornum | Yin Yang Huo Jin Gao | æ·«ç¾Šè—¿æµ¸è† |
| TCMH2507 | Epimedium brevicornum | Yin Yang Huo | 淫羊藿 |
| TCMH2508 | Epimedium brevicornum | Yin Yang Huo Gan Gao Fen | 淫羊藿干è†ç²‰ |
| TCMH2514 | Papaver somniferum | Ying Su | 罂粟 |
Ingredient ID: TCMC469
Formula: C25H24O12
| Common Name | 4,5-Dicaffeoylquinic Acid |
| IUPAC Name | (1R,3R,4S,5R)-3,4-bis[[(E)-3-(3,4-dihydroxyphenyl)prop-2-enoyl]oxy]-1,5-dihydroxycyclohexane-1-carboxylic acid |
| Canonical SMILES | O=C(O[C@H]1[C@H](O)C[C@](C[C@H]1OC(=O)/C=C/c1ccc(c(c1)O)O)(O)C(=O)O)/C=C/c1ccc(c(c1)O)O |
| Standard InCHI | InChI=1S/C25H24O12/c26-15-5-1-13(9-17(15)28)3-7-21(31)36-20-12-25(35,24(33)34)11-19(30)23(20)37-22(32)8-4-14-2-6-16(27)18(29)10-14/h1-10,19-20,23,26-30,35H,11-12H2,(H,33,34)/b7-3+,8-4+/t19-,20-,23+,25-/m1/s1 |
| Standard InCHIKey | UFCLZKMFXSILNL-RVXRWRFUSA-N |
| External Identifiers | ChEMBL [CHEMBL177126]; PubChem [6474309]; |
| Reference of Component-Ingredient Pair | 22701506 |
| Component ID | Latin Name | Pinyin Name | Chinese Name |
|---|---|---|---|
| TCMH440 | Erigeron breviscapus | Deng Zhan Xi Xin | ç¯ç›ç»†è¾› |
| TCMH281 | Dipsacus asper | Chuan Duan | å·æ– |
| TCMH1633 | Taraxacum mongolicum | Pu Gong Ying Jin Gao | è’²å…¬è‹±æµ¸è† |
| TCMH1162 | Sarcandra glabra | Jiu Jie Cha | ä¹èŠ‚èŒ¶ |
| TCMH207 | Fructus xanthii sibirici | Cang Er Zi Jin Gao Fen | è‹è€³å浸è†ç²‰ |
| TCMH517 | Angelica pubescens | Du Huo | 独活 |
| TCMH308 | Dipsacus asperoides | Chuan Xu Duan | å·ç»æ– |
| TCMH482 | Erycibe obtusifolia | Ding Gong Teng | ä¸å…¬è—¤ |
| TCMH859 | Ormosia hosiei | Hong Dou | 红豆 |
| TCMH1953 | Pyrrosia lingua | Shi Wei | 石韦 |
| TCMH1033 | Centella asiatica | Ji Xue Cao | ç§¯é›ªè‰ |
| TCMH970 | Vitex negundo | Huang Jing Zi | 黄è†å |
| TCMH205 | Xanthium sibiricum | Cang Er Cao | è‹è€³è‰ |
| TCMH1483 | Tussilago farfara | Mi Kuan Dong Hua | 蜜款冬花 |
| TCMH1531 | Akebia quinata | Mu Tong | 木通 |
| TCMH1714 | Lonicera japonica | Ren Dong Teng | å¿å†¬è—¤ |
| TCMH13 | Artemisia argyi | Ai Ye You | è‰¾å¶æ²¹ |
| TCMH1846 | Artemisia capillaris | Shan Yin Chen | 山茵陈 |
| TCMH1127 | Lonicera japonica | Jin Yin Hua | 金银花 |
| TCMH1128 | Lonicera japonica | Jin Yin Hua Ti Qu Ye | 金银花æå–æ¶² |
| TCMH204 | Xanthium sibiricum | Cang Er | è‹è€³ |
| TCMH279 | Angelica pubescens | Chuan Du Huo | å·ç‹¬æ´» |
| TCMH206 | Fructus xanthii sibirici | Cang Er Zi | è‹è€³å |
| TCMH978 | Taraxacum mongolicum | Huang Miao | 黄苗 |
| TCMH1632 | Taraxacum mongolicum | Pu Gong Ying | 蒲公英 |
| TCMH12 | Artemisia argyi | Ai Ye | è‰¾å¶ |
| TCMH557 | Aster tataricus | Fan Hun Cao | è¿”é‚è‰ |
| TCMH939 | Aster tataricus | Huai Hun Cao | 还é‚è‰ |
| TCMH1490 | Aster tataricus | Mi Zi Wan | èœœç´«è€ |
| TCMH221 | Sarcandra glabra | Cao Shan Hu Jin Gao | è‰çŠç‘šæµ¸è† |
| TCMH1223 | Tussilago farfara | Kuan Dong Hua | 款冬花 |
| TCMH1856 | Gardenia jasminoides | Shan Zhi | å±±æ € |
| TCMH2495 | Artemisia capillaris | Yin Chen Hao Gan Jin Gao | èŒµé™ˆè’¿å¹²æµ¸è† |
| TCMH2352 | Saussurea involucrata | Xue Lian Hua | 雪莲花 |
| TCMH2150 | Cuscuta australis | Tu Si Zi Teng | èŸä¸åè—¤ |
| TCMH2642 | Gardenia jasminoides | Zhi Zi Jin Gao | æ €åæµ¸è† |
| TCMH2505 | Siphonostegia chinensis | Yin Xing Cao | é˜´è¡Œè‰ |
| TCMH2286 | Berberis julianae | Xiao Bo Gen | å°æª—æ ¹ |
| TCMH2728 | Aster tataricus | Zi Wan | ç´«è€ |
| TCMH2101 | Eupatorium rebaudianum | Tian Ye Ju | 甜å¶èŠ |
| TCMH2211 | Artemisia princeps | Wu Yue Ai | 五月艾 |
| TCMH2154 | Artemisia capillaris | Tu Yin Chen Hao | 土茵陈蒿 |
| TCMH2494 | Artemisia capillaris | Yin Chen Hao | 茵陈蒿 |
| TCMH2098 | Saussurea involucrata | Tian Shan Xue Lian Hua | 天山雪莲花 |
| TCMH2351 | Saussurea involucrata | Xue Lian | 雪莲 |
| TCMH2148 | Cuscuta australis | Tu Si Rou | èŸä¸è‚‰ |
| TCMH2149 | Cuscuta australis | Tu Si Zi | èŸä¸å |
| TCMH2641 | Gardenia jasminoides | Zhi Zi | æ €å |
| Ingredient ID | Formulae | Name | MW | AlogP | MlogP | XlogP | # HBA | # HBD | PSA | # Rotatable Bond | # Ring | # Heacy Atom | Lipinski RO5 Violation |
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| TCMC469 | C25H24O12 | 4,5-Dicaffeoylquinic Acid | 516.13 | -2.3865 | 2.89 | 1.085 | 8 | 7 | 211.28 | 16 | 3 | 37 | 1 |
| TCMC495 | C7H6O2 | 4-Hydroxybenzaldehyde | 122.04 | -0.6527 | 2.01 | 1.484 | 1 | 1 | 37.3 | 2 | 1 | 9 | 0 |
| TCMC995 | C35H60O6 | Daucosterol | 576.44 | -0.4469 | 4.65 | 10.487 | 6 | 4 | 99.38 | 19 | 5 | 41 | 1 |