Component ID |
TCMH718 |
Latin Name |
Aristolochia manshuriensis |
English Name |
Manchurian dutchmanspipe |
Chinese Pinyin Name |
Guan Mu Tong |
中文名 |
关木通 |
TCM Properties |
Cold,Bitter |
TCM Meridians |
Bladder,Small Intestine,Heart |
Therapeutic Class English |
For promoting diuresis and penetrating dampness |
Therapeutic Class Chinese |
利水渗湿 |
Functions |
remove heat from the heart, relieve dysuria and promote diuresis, stimulate menstrual discharge, and promote the flow of milk |
Toxicity |
NA |
Geo-authentic habitats (道地产区) |
NA |
Reference |
Chinese Pharmacopoeia (2015) |
Barcode ID |
GBVE2055-11 |
Barcode Source |
BOLDSYSTEMS |
Prescription ID | Prescription English Name | Prescription Chinese Name |
---|---|---|
TCMF1363 | Longdan Xiegan Pills | 龙胆泻肝丸 |
TCMF1370 | Daochi Pills | 导赤丸 |
TCMF1379 | Fuke Fenqing Pills | 妇科分清丸 |
TCMF1444 | Anyang Jingzhi Plaster | 安阳精制膏 |
TCMF2116 | Lithagogue Infusion | 排石冲剂 |
TCMF2269 | Longdan Xiegan Pills; Bolus of Gentian for Purging Liver-fire | 龙胆泻肝丸 |
TCMF2309 | Daochi Pills | 导赤丸 |
TCMF2368 | Fuke Fenqing Pills | 妇科分清丸 |
TCMF2544 | Fenqing Wulin Pills | 分清五淋丸 |
TCMF2624 | Anyang Jingzhi Plaster | 安阳精制膏 |
Target ID | Gene Symbol | Target Name | Target Class | Uniprot ID |
---|---|---|---|---|
TCMT101 | PTPN1 | Protein-tyrosine phosphatase 1B | Hydrolase | P18031 |
TCMT102 | ACP1 | Low molecular weight phosphotyrosine protein phosphatase | Hydrolase | P24666 |
TCMT103 | PTPRF | Receptor-type tyrosine-protein phosphatase F (LAR) | Hydrolase | P10586 |
TCMT133 | CA1 | Carbonic anhydrase I | Lyase | P00915 |
TCMT134 | CA2 | Carbonic anhydrase II | Lyase | P00918 |
TCMT135 | CA14 | Carbonic anhydrase XIV | Lyase | Q9ULX7 |
TCMT136 | CA12 | Carbonic anhydrase XII | Lyase | O43570 |
TCMT137 | CA9 | Carbonic anhydrase IX | Lyase | Q16790 |
TCMT138 | CA7 | Carbonic anhydrase VII | Lyase | P43166 |
TCMT139 | CA6 | Carbonic anhydrase VI | Lyase | P23280 |
Target ID | Target Name |
---|---|
TCMT1107 | Protease |
TCMT1178 | Actinomyces viscosus |
TCMT1212 | Verticillium dahliae |
TCMT1218 | Staphylococcus aureus |
TCMT1229 | Enterococcus faecalis |
TCMT1248 | Hepatitis C virus |
TCMT1251 | Candida albicans |
TCMT1255 | Human immunodeficiency virus 1 |
TCMT1462 | Streptococcus mutans |
TCMT1463 | Mycobacterium tuberculosis |
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: TCMC723
Formula: C17H11NO8
Common Name | Aristolochic D |
IUPAC Name | 10-hydroxy-8-methoxy-6-nitronaphtho[2,1-g][1,3]benzodioxole-5-carboxylic acid |
Canonical SMILES | COc1cc(O)cc2c1cc(N(=O)=O)c1c2c2OCOc2cc1C(=O)O |
Standard InCHI | InChI=1S/C17H11NO8/c1-24-12-3-7(19)2-9-8(12)4-11(18(22)23)14-10(17(20)21)5-13-16(15(9)14)26-6-25-13/h2-5,19H,6H2,1H3,(H,20,21) |
Standard InCHIKey | PADIFGYTAXNCRK-UHFFFAOYSA-N |
External Identifiers | ChEMBL [CHEMBL604748]; PubChem [161218]; |
Reference of Component-Ingredient Pair | 22484602 |
Component ID | Latin Name | Pinyin Name | Chinese Name |
---|---|---|---|
TCMH1397 | Aristolochia debilis | Ma Dou Ling | 马兜铃 |
TCMH1693 | Aristolochia debilis | Qing Mu Xiang | 青木香 |
TCMH2239 | Asarum sieboldii | Xi Xin | 细辛 |
TCMH2358 | Aristolochia mollissima | Xun Gu Feng | 寻骨风 |
TCMH718 | Aristolochia manshuriensis | Guan Mu Tong | 关木通 |
Ingredient ID: TCMC722
Formula: C17H11NO7
Common Name | Aristolochic Acid |
IUPAC Name | n.a. |
Canonical SMILES | COc1cccc2c1cc(N(=O)=O)c1c2c2OCOc2cc1C(=O)O |
Standard InCHI | InChI=1S/C17H11NO7/c1-23-12-4-2-3-8-9(12)5-11(18(21)22)14-10(17(19)20)6-13-16(15(8)14)25-7-24-13/h2-6H,7H2,1H3,(H,19,20) |
Standard InCHIKey | BBFQZRXNYIEMAW-UHFFFAOYSA-N |
External Identifiers | ChEMBL [CHEMBL93353]; PubChem [2236]; |
Reference of Component-Ingredient Pair | 21526364 |
Component ID | Latin Name | Pinyin Name | Chinese Name |
---|---|---|---|
TCMH1397 | Aristolochia debilis | Ma Dou Ling | 马兜铃 |
TCMH1531 | Akebia quinata | Mu Tong | 木通 |
TCMH1680 | Sinomenium acutum | Qing Feng Teng | 青风藤 |
TCMH1693 | Aristolochia debilis | Qing Mu Xiang | 青木香 |
TCMH2239 | Asarum sieboldii | Xi Xin | 细辛 |
TCMH2685 | Aristolochia kaempferi | Zhu Sha Lian | 朱砂莲 |
TCMH565 | Stephania tetrandra | Fang Ji | 防己 |
TCMH718 | Aristolochia manshuriensis | Guan Mu Tong | 关木通 |
TCMH727 | Aristolochia fangchi | Guang Fang Ji | 广防己 |
TCMH799 | Sinomenium acutum | Han Fang Ji | 汉防己 |
Ingredient ID: TCMC2543
Formula: C19H21NO5
Common Name | N-Trans-Feruloylmethoxytyramine |
IUPAC Name | (E)-3-(4-hydroxy-3-methoxyphenyl)-N-[2-(4-hydroxy-3-methoxyphenyl)ethyl]prop-2-enamide |
Canonical SMILES | COc1cc(CCN=C(/C=C/c2ccc(c(c2)OC)O)O)ccc1O |
Standard InCHI | InChI=1S/C19H21NO5/c1-24-17-11-13(3-6-15(17)21)5-8-19(23)20-10-9-14-4-7-16(22)18(12-14)25-2/h3-8,11-12,21-22H,9-10H2,1-2H3,(H,20,23)/b8-5+ |
Standard InCHIKey | GRXBVKANHNUZNL-VMPITWQZSA-N |
External Identifiers | ChEMBL [CHEMBL226588]; PubChem [5352115]; |
Reference of Component-Ingredient Pair | N/A |
Component ID | Latin Name | Pinyin Name | Chinese Name |
---|---|---|---|
TCMH1265 | Chenopodium album | Li | 藜 |
TCMH213 | Boschniakia rossica | Cao Cong Rong | 草苁蓉 |
TCMH2513 | Rhododendron mucronulatum | Ying Shan Hong | 映山红 |
TCMH270 | Clerodendrum trichotomum | Chou Wu Tong | 臭梧桐 |
TCMH271 | Clerodendrum trichotomum | Chou Wu Tong Ye | 臭梧桐叶 |
TCMH600 | Euonymus fortunei | Fu Fang Teng | 扶芳藤 |
TCMH718 | Aristolochia manshuriensis | Guan Mu Tong | 关木通 |
Ingredient ID: TCMC2383
Formula: C20H23NO4
Common Name | Magnoflorine |
IUPAC Name | (6aS)-2,10-dimethoxy-6,6-dimethyl-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinoline-6-ium-1,11-diol |
Canonical SMILES | COc1ccc2c(c1O)c1c(O)c(OC)cc3c1[C@H](C2)[N+](C)(C)CC3 |
Standard InCHI | InChI=1S/C20H23NO4/c1-21(2)8-7-12-10-15(25-4)20(23)18-16(12)13(21)9-11-5-6-14(24-3)19(22)17(11)18/h5-6,10,13H,7-9H2,1-4H3,(H-,22,23)/p+1/t13-/m0/s1 |
Standard InCHIKey | YLRXAIKMLINXQY-ZDUSSCGKSA-O |
External Identifiers | ChEMBL [CHEMBL235428]; PubChem [73337]; |
Reference of Component-Ingredient Pair | 24709313 |
Component ID | Latin Name | Pinyin Name | Chinese Name |
---|---|---|---|
TCMH1064 | Coptis chinensis | Jiang Huang Lian | 姜黄连 |
TCMH1102 | Tinospora capillipes | Jin Guo Lan | 金果榄 |
TCMH1161 | Coptis chinensis | Jiu Huang Lian | 酒黄连 |
TCMH1397 | Aristolochia debilis | Ma Dou Ling | 马兜铃 |
TCMH140 | Menispermum dauricum | Bei Dou Gen | 北豆根 |
TCMH1416 | Thalictrum foliolosum | Ma Wei Lian | 马尾连 |
TCMH1516 | Cocculus trilobus | Mu Fang Ji | 木防己 |
TCMH1680 | Sinomenium acutum | Qing Feng Teng | 青风藤 |
TCMH1693 | Aristolochia debilis | Qing Mu Xiang | 青木香 |
TCMH1764 | Cortex berberidis | San Ke Zhen | 三棵针 |
Ingredient ID: TCMC1839
Formula: C7H6O3
Common Name | Paraben |
IUPAC Name | 4-oxoniobenzoate |
Canonical SMILES | Oc1ccc(cc1)C(=O)O |
Standard InCHI | InChI=1S/C7H6O3/c8-6-3-1-5(2-4-6)7(9)10/h1-4,8H,(H,9,10) |
Standard InCHIKey | FJKROLUGYXJWQN-UHFFFAOYSA-N |
External Identifiers | ChEMBL [CHEMBL441343]; PubChem [3702506]; |
Reference of Component-Ingredient Pair | 8087979 |
Component ID | Latin Name | Pinyin Name | Chinese Name |
---|---|---|---|
TCMH1008 | Pogostemon cablin | Huo Xiang | 藿香 |
TCMH1009 | Pogostemon cablin | Huo Xiang Ye | 藿香叶 |
TCMH101 | Chelidonium majus | Bai Qu Cai | 白屈菜 |
TCMH108 | Perilla frutescens | Bai Su Zi | 白苏子 |
TCMH1105 | Trollius chinensis | Jin Lian Hua | 金莲花 |
TCMH1146 | Oryza sativa | Jing Mi | 粳米 |
TCMH1178 | Citrus reticulata | Ju He | 橘核 |
TCMH1184 | Citrus reticulata | Ju Pi | 橘皮 |
TCMH1211 | Melia azedarach | Ku Lian Pi | 苦楝皮 |
TCMH1212 | Melia azedarach | Ku Lian Zi | 苦楝子 |
Ingredient ID: TCMC1786
Formula: C30H48O3
Common Name | Oleanolic_Acid |
IUPAC Name | (4aS,6aR,6aS,6bR,8aR,10S,12aR,14bS)-10-hydroxy-2,2,6a,6b,9,9,12a-heptamethyl-1,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropicene-4a-carboxylic acid |
Canonical SMILES | O[C@H]1CC[C@]2([C@H](C1(C)C)CC[C@@]1([C@@H]2CC=C2[C@@]1(C)CC[C@@]1([C@H]2CC(C)(C)CC1)C(=O)O)C)C |
Standard InCHI | InChI=1S/C30H48O3/c1-25(2)14-16-30(24(32)33)17-15-28(6)19(20(30)18-25)8-9-22-27(5)12-11-23(31)26(3,4)21(27)10-13-29(22,28)7/h8,20-23,31H,9-18H2,1-7H3,(H,32,33)/t20-,21-,22+,23-,27-,28+,29+,30-/m0/s1 |
Standard InCHIKey | MIJYXULNPSFWEK-GTOFXWBISA-N |
External Identifiers | ChEMBL [CHEMBL168]; PubChem [10494]; |
Reference of Component-Ingredient Pair | 22002744 |
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 |
TCMH1039 | Kummerowia striata | Ji Yan Cao | 鸡眼草 |
TCMH108 | Perilla frutescens | Bai Su Zi | 白苏子 |
TCMH1080 | Platycodon grandiflorum | Jie Geng | 桔梗 |
TCMH1082 | Platycodon grandiflorum | Jie Geng Gan Gao | 桔梗干膏 |
TCMH1083 | Platycodon grandiflorum | Jie Geng Gan Gao Fen | 桔梗干膏粉 |
TCMH1084 | Platycodon grandiflorum | Jie Geng Liu Jin Gao | 桔梗流浸膏 |
TCMH1085 | Platycodon grandiflorum | Jie Geng Liu Zhu Gao | 桔梗流注膏 |
Ingredient ID: TCMC1767
Formula: C18H19NO4
Common Name | N-Trans-Feruloyl Tyramine |
IUPAC Name | (E)-3-(4-hydroxy-3-methoxyphenyl)-N-[2-(4-hydroxyphenyl)ethyl]prop-2-enamide |
Canonical SMILES | COc1cc(/C=C/C(=NCCc2ccc(cc2)O)O)ccc1O |
Standard InCHI | InChI=1S/C18H19NO4/c1-23-17-12-14(4-8-16(17)21)5-9-18(22)19-11-10-13-2-6-15(20)7-3-13/h2-9,12,20-21H,10-11H2,1H3,(H,19,22)/b9-5+ |
Standard InCHIKey | NPNNKDMSXVRADT-WEVVVXLNSA-N |
External Identifiers | ChEMBL [CHEMBL206555]; PubChem [5280537]; |
Reference of Component-Ingredient Pair | 11509987 |
Component ID | Latin Name | Pinyin Name | Chinese Name |
---|---|---|---|
TCMH1005 | Cannabis sativa | Huo Ma Ren | 火麻仁 |
TCMH1024 | Tribulus terrestris | Ji Li | 蒺藜 |
TCMH1185 | Lycium chinense | Gou Qi | 枸杞 |
TCMH1186 | Lycium chinense | Gou Qi Zi | 枸杞子 |
TCMH1265 | Chenopodium album | Li | 藜 |
TCMH1275 | Nelumbo nucifera | Lian Zi | 莲子 |
TCMH1276 | Nelumbo nucifera | Lian Zi Xin | 莲子心 |
TCMH1380 | Humulus japonicus | Lv Cao | 葎草 |
TCMH1396 | Portulaca oleracea | Ma Chi Xian | 马齿苋 |
TCMH1409 | Cannabis sativa | Ma Ren | 麻仁 |
Ingredient ID: TCMC1173
Formula: C10H10O4
Common Name | Ferulic Acid |
IUPAC Name | (E)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoic acid |
Canonical SMILES | COc1cc(/C=C/C(=O)O)ccc1O |
Standard InCHI | InChI=1S/C10H10O4/c1-14-9-6-7(2-4-8(9)11)3-5-10(12)13/h2-6,11H,1H3,(H,12,13)/b5-3+ |
Standard InCHIKey | KSEBMYQBYZTDHS-HWKANZROSA-N |
External Identifiers | ChEMBL [CHEMBL32749]; PubChem [445858]; |
Reference of Component-Ingredient Pair | 25130191 |
Component ID | Latin Name | Pinyin Name | Chinese Name |
---|---|---|---|
TCMH1000 | Foeniculum vulgare | Hui Xiang | 茴香 |
TCMH101 | Chelidonium majus | Bai Qu Cai | 白屈菜 |
TCMH1024 | Tribulus terrestris | Ji Li | 蒺藜 |
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 |
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 |
TCMH1146 | Oryza sativa | Jing Mi | 粳米 |
Ingredient ID | Formulae | Name | MW | AlogP | MlogP | XlogP | # HBA | # HBD | PSA | # Rotatable Bond | # Ring | # Heacy Atom | Lipinski RO5 Violation |
---|---|---|---|---|---|---|---|---|---|---|---|---|---|
TCMC1173 | C10H10O4 | Ferulic Acid | 194.06 | -0.3908 | 2.12 | 1.231 | 2 | 2 | 66.76 | 6 | 1 | 14 | 0 |
TCMC1767 | C18H19NO4 | N-Trans-Feruloyl Tyramine | 313.13 | -0.6499 | 2.89 | 3.109 | 2 | 3 | 82.28 | 10 | 2 | 23 | 0 |
TCMC1786 | C30H48O3 | Oleanolic_Acid | 456.36 | 2.1298 | 4.43 | 9.052 | 3 | 2 | 57.53 | 10 | 5 | 33 | 1 |
TCMC1839 | C7H6O3 | Paraben | 138.03 | -0.7001 | 1.9 | 1.07 | 2 | 2 | 57.53 | 3 | 1 | 10 | 0 |
TCMC2383 | C20H23NO4 | Magnoflorine | 342.17 | -1.9843 | 3.11 | 1.008 | 0 | 2 | 58.92 | 8 | 4 | 25 | 0 |
TCMC2543 | C19H21NO5 | N-Trans-Feruloylmethoxytyramine | 343.14 | -0.7017 | 2.89 | 2.665 | 2 | 3 | 91.51 | 12 | 2 | 25 | 0 |
TCMC722 | C17H11NO7 | Aristolochic Acid | 341.05 | 0.0658 | 2.45 | 2.79 | 2 | 1 | 108.13 | 6 | 4 | 25 | 0 |
TCMC723 | C17H11NO8 | Aristolochic D | 357.05 | -0.3945 | 2.34 | 1.616 | 2 | 2 | 128.36 | 7 | 4 | 26 | 0 |
TCMC948 | C9H8O3 | Coumaric Acid | 164.05 | -0.339 | 2.12 | 1.886 | 2 | 2 | 57.53 | 4 | 1 | 12 | 0 |