Component ID |
TCMH2471 |
Latin Name |
Emilia sonchifolia |
English Name |
Sowthistle tasselflower |
Chinese Pinyin Name |
Yi Dian Hong |
中文名 |
一点红 |
TCM Properties |
|
TCM Meridians |
|
Therapeutic Class English |
|
Therapeutic Class Chinese |
|
Functions |
Antibacterial on Staphylococcus aureus, Bacillus pyocyaneus and Eberthella typhosus |
Toxicity |
NA |
Geo-authentic habitats (道地产区) |
NA |
Reference |
Chinese Pharmacopoeia (2015) |
Barcode ID |
ITSAJ4363-14 |
Barcode Source |
BOLDSYSTEMS |
Prescription ID | Prescription English Name | Prescription Chinese Name |
---|---|---|
TCMF3873 | Gan Mao Yan Granulesng Syrup | 感冒炎咳灵糖浆 |
TCMF4275 | Ling Yuan Wan Ying Tea | 灵源万应茶 |
TCMFx3058 | Bai Rong Zhi Ke Syrup | 白绒止咳糖浆 |
TCMFx3418 | Die Da Wan Hua You | 跌打万花油 |
TCMFx4795 | Hua Hong Granules | 花红颗粒 |
TCMFx4802 | Hua Hong Tablets | 花红片 |
TCMFx5694 | Shang Ke Wan Hua You | 伤科万花油 |
TCMFx581 | Hua Hong Tablet | 花红片 |
TCMFx582 | Hua Hong Capsule | 花红胶囊 |
TCMFx583 | Hua Hong Granules | 花红颗粒 |
Target ID | Gene Symbol | Target Name | Target Class | Uniprot ID |
---|---|---|---|---|
TCMT1 | EHMT2 | Histone-lysine N-methyltransferase, H3 lysine-9 specific 3 | Transferase | Q96KQ7 |
TCMT114 | CNR2 | Cannabinoid CB2 receptor | GPCR | P34972 |
TCMT115 | CNR1 | Cannabinoid CB1 receptor | GPCR | P21554 |
TCMT125 | GBA | Beta-glucocerebrosidase | Hydrolase | P04062 |
TCMT13 | APEX1 | DNA-(apurinic or apyrimidinic site) lyase | Lyase | P27695 |
TCMT162 | UGT1A1 | UDP-glucuronosyltransferase 1-1 | Transferase | P22309 |
TCMT221 | ABCB11 | Bile salt export pump | Transporter | O95342 |
TCMT31 | CYP2C19 | Cytochrome P450 2C19 | Oxidoreductase | P33261 |
TCMT327 | TRPV1 | Vanilloid receptor | Ion channel | Q8NER1 |
TCMT6 | NFKB1 | Nuclear factor NF-kappa-B p105 subunit | Transcription factor | P19838 |
Target ID | Target Name |
---|---|
TCMT1207 | Legionella pneumophila |
TCMT1221 | Human herpesvirus 4 |
TCMT1382 | Plasmodium falciparum (isolate K1 / Thailand) |
Ingredient ID: TCMC791
Formula: C40H56
Common Name | Beta Carotene |
IUPAC Name | 1,3,3-trimethyl-2-[(1E,3E,5E,7E,9E,11E,13E,15E,17E)-3,7,12,16-tetramethyl-18-(2,6,6-trimethylcyclohexen-1-yl)octadeca-1,3,5,7,9,11,13,15,17-nonaenyl]cyclohexene |
Canonical SMILES | C/C(=CC=CC=C(C=CC=C(C=CC1=C(C)CCCC1(C)C)/C)/C)/C=C/C=C(/C=C/C1=C(C)CCCC1(C)C)C |
Standard InCHI | InChI=1S/C40H56/c1-31(19-13-21-33(3)25-27-37-35(5)23-15-29-39(37,7)8)17-11-12-18-32(2)20-14-22-34(4)26-28-38-36(6)24-16-30-40(38,9)10/h11-14,17-22,25-28H,15-16,23-24,29-30H2,1-10H3/b12-11+,19-13+,20-14+,27-25+,28-26+,31-17+,32-18+,33-21+,34-22+ |
Standard InCHIKey | OENHQHLEOONYIE-JLTXGRSLSA-N |
External Identifiers | ChEMBL [CHEMBL1293]; PubChem [5280489]; |
Reference of Component-Ingredient Pair | 21569430 |
Component ID | Latin Name | Pinyin Name | Chinese Name |
---|---|---|---|
TCMH108 | Perilla frutescens | Bai Su Zi | 白苏子 |
TCMH1127 | Lonicera japonica | Jin Yin Hua | 金银花 |
TCMH1128 | Lonicera japonica | Jin Yin Hua Ti Qu Ye | 金银花提取液 |
TCMH1146 | Oryza sativa | Jing Mi | 粳米 |
TCMH1178 | Citrus reticulata | Ju He | 橘核 |
TCMH1184 | Citrus reticulata | Ju Pi | 橘皮 |
TCMH1185 | Lycium chinense | Gou Qi | 枸杞 |
TCMH1186 | Lycium chinense | Gou Qi Zi | 枸杞子 |
TCMH1228 | Capsicum frutescens | La Jiao | 辣椒 |
TCMH1230 | Capsicum frutescens | La Jiao Jin Chu Ye | 辣椒浸出液 |
Ingredient ID: TCMC721
Formula: C6H14N4O2
Common Name | Arginine |
IUPAC Name | (2S)-2-amino-5-(diaminomethylideneazaniumyl)pentanoate |
Canonical SMILES | NC(=N)NCCC[C@@H](C(=O)O)N |
Standard InCHI | InChI=1S/C6H14N4O2/c7-4(5(11)12)2-1-3-10-6(8)9/h4H,1-3,7H2,(H,11,12)(H4,8,9,10)/t4-/m0/s1 |
Standard InCHIKey | ODKSFYDXXFIFQN-BYPYZUCNSA-N |
External Identifiers | ChEMBL [CHEMBL1485]; PubChem [28782]; |
Reference of Component-Ingredient Pair | 19212411 |
Component ID | Latin Name | Pinyin Name | Chinese Name |
---|---|---|---|
TCMH1090 | Brassica juncea | Jie Zi | 芥子 |
TCMH1537 | Baphicacanthus cusia | Nan Ban Lan Gen | 南板蓝根 |
TCMH1538 | Baphicacanthus cusia | Nan Ban Lan Gen Jin Gao Fen | 南板蓝根浸膏粉 |
TCMH1734 | Homo sapiens | Ren Zhong Bai | 人中白 |
TCMH2066 | Santalum album | Tan Xiang | 檀香 |
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 |
TCMH2375 | Trigonella foenum-graecum | Yan Hu Lu Ba | 盐胡芦巴 |
TCMH240 | Plantago depressa | Che Qian Cao | 车前草 |
Ingredient ID: TCMC689
Formula: C22H37NO2
Common Name | Anandamide |
IUPAC Name | (5Z,8Z,11Z,14Z)-N-(2-hydroxyethyl)icosa-5,8,11,14-tetraenamide |
Canonical SMILES | CCCCC/C=CC/C=CC/C=CC/C=CCCCC(=NCCO)O |
Standard InCHI | InChI=1S/C22H37NO2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-22(25)23-20-21-24/h6-7,9-10,12-13,15-16,24H,2-5,8,11,14,17-21H2,1H3,(H,23,25)/b7-6-,10-9-,13-12-,16-15- |
Standard InCHIKey | LGEQQWMQCRIYKG-DOFZRALJSA-N |
External Identifiers | ChEMBL [CHEMBL15848]; PubChem [5281969]; |
Reference of Component-Ingredient Pair | N/A |
Component ID | Latin Name | Pinyin Name | Chinese Name |
---|---|---|---|
TCMH1734 | Homo sapiens | Ren Zhong Bai | 人中白 |
TCMH2471 | Emilia sonchifolia | Yi Dian Hong | 一点红 |
TCMH2710 | Homo sapiens | Zi He Che | 紫河车 |
TCMH2721 | Perilla frutescens var. arguta | Zi Su Geng | 紫苏梗 |
TCMH2722 | Perilla frutescens var. arguta | Zi Su Ye | 紫苏叶 |
TCMH395 | Mytilus edulis | Dan Cai | 淡菜 |
Ingredient ID: TCMC2342
Formula: C9H10O4
Common Name | Jacaranone |
IUPAC Name | methyl 2-(1-hydroxy-4-oxocyclohexa-2,5-dien-1-yl)acetate |
Canonical SMILES | COC(=O)CC1(O)C=CC(=O)C=C1 |
Standard InCHI | InChI=1S/C9H10O4/c1-13-8(11)6-9(12)4-2-7(10)3-5-9/h2-5,12H,6H2,1H3 |
Standard InCHIKey | WJZSKNRPRWCLLK-UHFFFAOYSA-N |
External Identifiers | ChEMBL [CHEMBL469293]; PubChem [73307]; |
Reference of Component-Ingredient Pair | N/A |
Ingredient ID: TCMC2132
Formula: C2H7NO3S
Common Name | Taurine |
IUPAC Name | 2-azaniumylethanesulfonate |
Canonical SMILES | NCCS(=O)(=O)O |
Standard InCHI | InChI=1S/C2H7NO3S/c3-1-2-7(4,5)6/h1-3H2,(H,4,5,6) |
Standard InCHIKey | XOAAWQZATWQOTB-UHFFFAOYSA-N |
External Identifiers | ChEMBL [CHEMBL239243]; PubChem [4068592]; |
Reference of Component-Ingredient Pair | N/A |
Component ID | Latin Name | Pinyin Name | Chinese Name |
---|---|---|---|
TCMH1185 | Lycium chinense | Gou Qi | 枸杞 |
TCMH1186 | Lycium chinense | Gou Qi Zi | 枸杞子 |
TCMH1709 | Buthus martensi | Quan Xie | 全蝎 |
TCMH1734 | Homo sapiens | Ren Zhong Bai | 人中白 |
TCMH2471 | Emilia sonchifolia | Yi Dian Hong | 一点红 |
TCMH2710 | Homo sapiens | Zi He Che | 紫河车 |
TCMH2721 | Perilla frutescens var. arguta | Zi Su Geng | 紫苏梗 |
TCMH2722 | Perilla frutescens var. arguta | Zi Su Ye | 紫苏叶 |
TCMH395 | Mytilus edulis | Dan Cai | 淡菜 |
Ingredient ID: TCMC1272
Formula: C5H11NO2
Common Name | Glycinebetaine |
IUPAC Name | 2-(trimethylazaniumyl)acetate |
Canonical SMILES | [O-]C(=O)C[N+](C)(C)C |
Standard InCHI | InChI=1S/C5H11NO2/c1-6(2,3)4-5(7)8/h4H2,1-3H3 |
Standard InCHIKey | KWIUHFFTVRNATP-UHFFFAOYSA-N |
External Identifiers | ChEMBL [CHEMBL1182]; PubChem [247]; |
Reference of Component-Ingredient Pair | 29968805 |
Component ID | Latin Name | Pinyin Name | Chinese Name |
---|---|---|---|
TCMH1185 | Lycium chinense | Gou Qi | 枸杞 |
TCMH1186 | Lycium chinense | Gou Qi Zi | 枸杞子 |
TCMH1511 | Momordica cochinchinensis | Mu Bie Zi | 木鳖子 |
TCMH1734 | Homo sapiens | Ren Zhong Bai | 人中白 |
TCMH1740 | Cistanche deserticola | Rou Cong Rong | 肉苁蓉 |
TCMH1856 | Gardenia jasminoides | Shan Zhi | 山栀 |
TCMH2102 | Concretio silicea bambusae | Tian Zhu Huang | 天竺黄 |
TCMH2200 | Firmiana simplex | Wu Tong Ye Jin Gao | 梧桐叶浸膏 |
TCMH228 | Bupleurum chinense | Chai Hu | 柴胡 |
TCMH229 | Bupleurum chinense | Chai Hu Jin Gao | 柴胡浸膏 |
Ingredient ID: TCMC1122
Formula: C28H44O
Common Name | Ergosterol |
IUPAC Name | (3S,9S,10R,13R,14R,17R)-17-[(E,2R,5R)-5,6-dimethylhept-3-en-2-yl]-10,13-dimethyl-2,3,4,9,11,12,14,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-3-ol |
Canonical SMILES | O[C@H]1CC[C@]2(C(=CC=C3[C@@H]2CC[C@]2([C@H]3CC[C@@H]2[C@@H](/C=C/[C@@H](C(C)C)C)C)C)C1)C |
Standard InCHI | InChI=1S/C28H44O/c1-18(2)19(3)7-8-20(4)24-11-12-25-23-10-9-21-17-22(29)13-15-27(21,5)26(23)14-16-28(24,25)6/h7-10,18-20,22,24-26,29H,11-17H2,1-6H3/b8-7+/t19-,20+,22-,24+,25-,26-,27-,28+/m0/s1 |
Standard InCHIKey | DNVPQKQSNYMLRS-APGDWVJJSA-N |
External Identifiers | ChEMBL [CHEMBL1232562]; PubChem [444679]; |
Reference of Component-Ingredient Pair | 11731906 |
Component ID | Latin Name | Pinyin Name | Chinese Name |
---|---|---|---|
TCMH1005 | Cannabis sativa | Huo Ma Ren | 火麻仁 |
TCMH1296 | Ganoderma lucidum | Ling Zhi Jin Gao | 灵芝浸膏 |
TCMH1299 | Ganoderma lucidum | Ling Zhi(1) | 灵芝 |
TCMH1409 | Cannabis sativa | Ma Ren | 麻仁 |
TCMH1734 | Homo sapiens | Ren Zhong Bai | 人中白 |
TCMH1949 | Pothos chinensis | Shi Pu Teng | 石蒲藤 |
TCMH197 | Bombyx mori | Can E | 蚕蛾 |
TCMH200 | Bombyx mori | Can Jian | 蚕茧 |
TCMH201 | Bombyx mori | Can Sha | 蚕砂 |
TCMH202 | Bombyx mori | Can Yong | 蚕蛹 |
Ingredient ID | Formulae | Name | MW | AlogP | MlogP | XlogP | # HBA | # HBD | PSA | # Rotatable Bond | # Ring | # Heacy Atom | Lipinski RO5 Violation |
---|---|---|---|---|---|---|---|---|---|---|---|---|---|
TCMC1122 | C28H44O | Ergosterol | 396.34 | 2.2555 | 4.43 | 9.499 | 1 | 1 | 20.23 | 11 | 4 | 29 | 1 |
TCMC1272 | C5H11NO2 | Glycinebetaine | 117.08 | -2.2564 | 1.68 | -1.227 | 2 | 0 | 40.13 | 6 | 0 | 8 | 0 |
TCMC2132 | C2H7NO3S | Taurine | 125.01 | -1.2682 | 1.13 | -1.678 | 4 | 2 | 88.77 | 4 | 0 | 7 | 0 |
TCMC2342 | C9H10O4 | Jacaranone | 182.06 | -0.2408 | 2.01 | 0.023 | 4 | 1 | 63.6 | 5 | 1 | 13 | 0 |
TCMC689 | C22H37NO2 | Anandamide | 347.28 | 0.7608 | 3.55 | 7.848 | 3 | 2 | 52.82 | 19 | 0 | 25 | 2 |
TCMC721 | C6H14N4O2 | Arginine | 174.11 | -2.1807 | 1.46 | -2.924 | 6 | 5 | 125.22 | 9 | 0 | 12 | 0 |
TCMC791 | C40H56 | Beta Carotene | 536.44 | 8.935 | 5.86 | 14.734 | 0 | 0 | 0 | 20 | 2 | 40 | 1 |