Description of the Component
Component ID |
TCMH226 |
Latin Name |
Camellia sinensis |
English Name |
Common tea |
Chinese Pinyin Name |
Cha Ye |
中文名 |
茶叶 |
TCM Properties |
Cool,Sweet,Bitter |
TCM Meridians |
Lung,Stomach,Heart |
Therapeutic Class English |
|
Therapeutic Class Chinese |
|
Functions |
|
Toxicity |
NA |
Geo-authentic habitats (道地产区) |
NA |
Reference |
Chinese Pharmacopoeia (2015) |
Barcode ID |
ITSAG2924-14 |
Barcode Source |
BOLDSYSTEMS |
TCM Prescriptions with the Component
| Prescription ID | Prescription English Name | Prescription Chinese Name |
|---|---|---|
| TCMF1338 | Powder of Ligutici Chuanxiong Mixed with Camelliae Sinensis | 川芎茶调散 |
| TCMF2002 | Stomach Strengthening Tea | 健胃茶 |
| TCMF2127 | Powder of Ligutici Chuanxiong Mixed with Camelliae Sinensis | 川芎茶调散 |
| TCMF2234 | Decoction of Gypsum Fibrosum and Three Yellows | 三黄石膏汤 |
| TCMF2360 | Ma Xin Two Plus Three Heavy Breathing Decoction | 麻杏二三汤 |
| TCMF2724 | Ligusticum Chuanxiong Powder to be Taken with Green Tea | 川芎茶调散 |
| TCMF3396 | Chuan Xiong Cha Tiao Dai Pao Ji | 川芎茶调袋泡剂 |
| TCMF4135 | Lian Hua Feng Tea | 莲花峰茶 |
| TCMF4517 | Jiang Ya Dai Pao Tea | 降压袋泡茶 |
| TCMF4589 | Jiang Zhuo Jian Mei Tea | 降浊健美茶 |
Showing 1 to 10 of 33 entries
Targeted Human Proteins by the Ingredient of Component
| Target ID | Gene Symbol | Target Name | Target Class | Uniprot ID |
|---|---|---|---|---|
| TCMT1 | EHMT2 | Histone-lysine N-methyltransferase, H3 lysine-9 specific 3 | Transferase | Q96KQ7 |
| 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 |
| TCMT11 | HIF1A | Hypoxia-inducible factor 1 alpha | Transcription factor | Q16665 |
| TCMT112 | ADORA3 | Adenosine A3 receptor | GPCR | P0DMS8 |
| TCMT126 | TERT | Telomerase reverse transcriptase | Transferase | O14746 |
| TCMT13 | APEX1 | DNA-(apurinic or apyrimidinic site) lyase | Lyase | P27695 |
| TCMT131 | ACHE | Acetylcholinesterase | Hydrolase | P22303 |
| TCMT132 | BCHE | Butyrylcholinesterase | Hydrolase | P06276 |
Showing 1 to 10 of 90 entries
Targeted Pathogenic Microbes by the Ingredient of Component
| Target ID | Target Name |
|---|---|
| TCMT1092 | Fatty acid synthase |
| TCMT1093 | Enoyl-acyl-carrier protein reductase |
| TCMT1094 | 3-oxoacyl-acyl-carrier protein reductase |
| TCMT1107 | Protease |
| TCMT1175 | Human immunodeficiency virus |
| TCMT1178 | Actinomyces viscosus |
| TCMT1179 | Escherichia coli ATCC 8739 |
| TCMT1181 | Mycobacterium tuberculosis H37Ra |
| TCMT1189 | Pseudomonas fluorescens |
| TCMT1218 | Staphylococcus aureus |
Showing 1 to 10 of 36 entries
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 |
| TCMH1065 | Cortex zingiberis | Jiang Pi | 姜皮 |
| TCMH108 | Perilla frutescens | Bai Su Zi | 白苏子 |
| TCMH1178 | Citrus reticulata | Ju He | 橘核 |
| TCMH1184 | Citrus reticulata | Ju Pi | 橘皮 |
| TCMH12 | Artemisia argyi | Ai Ye | 艾叶 |
| TCMH1219 | Semen armeniacae amarum | Ku Xing Ren | 苦杏仁 |
| TCMH1272 | Forsythia suspensa | Lian Qiao | 连翘 |
| TCMH13 | Artemisia argyi | Ai Ye You | 艾叶油 |
| TCMH1562 | Arctium lappa | Niu Bang Zi | 牛蒡子 |
Showing 1 to 10 of 65 entries
Ingredient ID: TCMC913
Formula: C15H14O6
Ingredient ID: TCMC913
| Common Name | Cianidanol |
| IUPAC Name | (2R,3S)-2-(3,4-dihydroxyphenyl)-3,4-dihydro-2H-chromene-3,5,7-triol |
| Canonical SMILES | Oc1cc2O[C@H](c3ccc(c(c3)O)O)[C@H](Cc2c(c1)O)O |
| Standard InCHI | InChI=1S/C15H14O6/c16-8-4-11(18)9-6-13(20)15(21-14(9)5-8)7-1-2-10(17)12(19)3-7/h1-5,13,15-20H,6H2/t13-,15+/m0/s1 |
| Standard InCHIKey | PFTAWBLQPZVEMU-DZGCQCFKSA-N |
| External Identifiers | ChEMBL [CHEMBL311498]; PubChem [9064]; |
| Reference of Component-Ingredient Pair | 26452509 |
Occurrence of the ingredient across TCM components
| Component ID | Latin Name | Pinyin Name | Chinese Name |
|---|---|---|---|
| TCMH1011 | Sargentodoxa cuneata | Huo Xue Teng | 活血藤 |
| TCMH1033 | Centella asiatica | Ji Xue Cao | 积雪草 |
| TCMH1039 | Kummerowia striata | Ji Yan Cao | 鸡眼草 |
| TCMH104 | Paeonia lactiflora | Bai Shao | 白芍 |
| TCMH105 | Paeonia lactiflora | Bai Shao Gan Jin Gao | 白芍干浸膏 |
| TCMH1090 | Brassica juncea | Jie Zi | 芥子 |
| TCMH1105 | Trollius chinensis | Jin Lian Hua | 金莲花 |
| TCMH1117 | Rhizoma fagopyri cymosi | Jin Qiao Mai | 金荞麦 |
| TCMH1133 | Rosa laevigata | Jin Ying Zi | 金樱子 |
| TCMH1134 | Rosa laevigata | Jin Ying Zi Rou | 金樱子肉 |
Showing 1 to 10 of 134 entries
Ingredient ID: TCMC907
Formula: C18H12
Ingredient ID: TCMC907
| Common Name | Chrysene |
| IUPAC Name | chrysene |
| Canonical SMILES | c1ccc2c(c1)c1ccc3c(c1cc2)cccc3 |
| Standard InCHI | InChI=1S/C18H12/c1-3-7-15-13(5-1)9-11-18-16-8-4-2-6-14(16)10-12-17(15)18/h1-12H |
| Standard InCHIKey | WDECIBYCCFPHNR-UHFFFAOYSA-N |
| External Identifiers | ChEMBL [CHEMBL85685]; PubChem [9171]; |
| Reference of Component-Ingredient Pair | N/A |
Occurrence of the ingredient across TCM components
Ingredient ID: TCMC897
Formula: C16H18O9
Ingredient ID: TCMC897
| Common Name | Chlorogenic Acid |
| IUPAC Name | (1S,3R,4R,5R)-3-[(E)-3-(3,4-dihydroxyphenyl)prop-2-enoyl]oxy-1,4,5-trihydroxycyclohexane-1-carboxylic acid |
| Canonical SMILES | O=C(O[C@@H]1C[C@@](O)(C[C@H]([C@H]1O)O)C(=O)O)/C=C/c1ccc(c(c1)O)O |
| Standard InCHI | InChI=1S/C16H18O9/c17-9-3-1-8(5-10(9)18)2-4-13(20)25-12-7-16(24,15(22)23)6-11(19)14(12)21/h1-5,11-12,14,17-19,21,24H,6-7H2,(H,22,23)/b4-2+/t11-,12-,14-,16+/m1/s1 |
| Standard InCHIKey | CWVRJTMFETXNAD-JUHZACGLSA-N |
| External Identifiers | ChEMBL [CHEMBL284616]; PubChem [1794427]; |
| Reference of Component-Ingredient Pair | 29136249 |
Occurrence of the ingredient across TCM components
| Component ID | Latin Name | Pinyin Name | Chinese Name |
|---|---|---|---|
| TCMH1000 | Foeniculum vulgare | Hui Xiang | 茴香 |
| TCMH1008 | Pogostemon cablin | Huo Xiang | 藿香 |
| TCMH1009 | Pogostemon cablin | Huo Xiang Ye | 藿香叶 |
| TCMH1011 | Sargentodoxa cuneata | Huo Xue Teng | 活血藤 |
| TCMH1025 | Loropetalum chinense | Ji Mu Ye Jin Gao | 继木叶浸膏 |
| TCMH1033 | Centella asiatica | Ji Xue Cao | 积雪草 |
| TCMH1064 | Coptis chinensis | Jiang Huang Lian | 姜黄连 |
| TCMH108 | Perilla frutescens | Bai Su Zi | 白苏子 |
| TCMH1096 | Inula japonica | Jin Fei Cao | 金沸草 |
| TCMH1127 | Lonicera japonica | Jin Yin Hua | 金银花 |
Showing 1 to 10 of 197 entries
Ingredient ID: TCMC850
Formula: C8H10N4O2
Ingredient ID: TCMC850
| Common Name | Caffeine |
| IUPAC Name | 1,3,7-trimethylpurine-2,6-dione |
| Canonical SMILES | Cn1cnc2c1c(=O)n(C)c(=O)n2C |
| Standard InCHI | InChI=1S/C8H10N4O2/c1-10-4-9-6-5(10)7(13)12(3)8(14)11(6)2/h4H,1-3H3 |
| Standard InCHIKey | RYYVLZVUVIJVGH-UHFFFAOYSA-N |
| External Identifiers | ChEMBL [CHEMBL113]; PubChem [2519]; |
| Reference of Component-Ingredient Pair | N/A |
Occurrence of the ingredient across TCM components
| Component ID | Latin Name | Pinyin Name | Chinese Name |
|---|---|---|---|
| TCMH1177 | Ilex cornuta | Ju Gu Ye | 枸骨叶 |
| TCMH1680 | Sinomenium acutum | Qing Feng Teng | 青风藤 |
| TCMH1734 | Homo sapiens | Ren Zhong Bai | 人中白 |
| TCMH2200 | Firmiana simplex | Wu Tong Ye Jin Gao | 梧桐叶浸膏 |
| TCMH2215 | Ficus simplicissima | Wu Zhi Mao Tao | 五指毛桃 |
| TCMH226 | Camellia sinensis | Cha Ye | 茶叶 |
| TCMH2710 | Homo sapiens | Zi He Che | 紫河车 |
| TCMH51 | Camellia sinensis | Bai Cha | 白茶 |
| TCMH561 | Senegalia catechu | Fang Er Cha | 方儿茶 |
| TCMH565 | Stephania tetrandra | Fang Ji | 防己 |
Showing 1 to 10 of 15 entries
Ingredient ID: TCMC804
Formula: C30H48O3
Ingredient ID: TCMC804
| Common Name | Betulinic Acid |
| IUPAC Name | (1R,3aS,5aR,5bR,7aR,9S,11aR,11bR,13aR,13bR)-9-hydroxy-5a,5b,8,8,11a-pentamethyl-1-prop-1-en-2-yl-1,2,3,4,5,6,7,7a,9,10,11,11b,12,13,13a,13b-hexadecahydrocyclopenta[a]chrysene-3a-carboxylic acid |
| Canonical SMILES | CC(=C)[C@@H]1CC[C@]2([C@H]1[C@H]1CC[C@H]3[C@@]([C@]1(C)CC2)(C)CC[C@@H]1[C@]3(C)CC[C@@H](C1(C)C)O)C(=O)O |
| Standard InCHI | InChI=1S/C30H48O3/c1-18(2)19-10-15-30(25(32)33)17-16-28(6)20(24(19)30)8-9-22-27(5)13-12-23(31)26(3,4)21(27)11-14-29(22,28)7/h19-24,31H,1,8-17H2,2-7H3,(H,32,33)/t19-,20+,21-,22+,23-,24+,27-,28+,29+,30-/m0/s1 |
| Standard InCHIKey | QGJZLNKBHJESQX-FZFNOLFKSA-N |
| External Identifiers | ChEMBL [CHEMBL269277]; PubChem [64971]; |
| Reference of Component-Ingredient Pair | 23821410 |
Occurrence of the ingredient across TCM components
| Component ID | Latin Name | Pinyin Name | Chinese Name |
|---|---|---|---|
| TCMH1033 | Centella asiatica | Ji Xue Cao | 积雪草 |
| TCMH1039 | Kummerowia striata | Ji Yan Cao | 鸡眼草 |
| TCMH1121 | Cardiospermum halicacabum | Jin Si Ku Lian | 金丝苦楝 |
| TCMH1272 | Forsythia suspensa | Lian Qiao | 连翘 |
| TCMH1275 | Nelumbo nucifera | Lian Zi | 莲子 |
| TCMH1276 | Nelumbo nucifera | Lian Zi Xin | 莲子心 |
| TCMH1305 | Laggera alata | Liu Ling Ju | 六棱菊 |
| TCMH1315 | Salix babylonica | Liu Zhi | 柳枝 |
| TCMH1431 | Vitex trifolia | Man Jing Ye | 蔓荆叶 |
| TCMH1432 | Vitex trifolia | Man Jing Zi | 蔓荆子 |
Showing 1 to 10 of 59 entries
Ingredient ID: TCMC803
Formula: C30H50O2
Ingredient ID: TCMC803
| Common Name | Betulin |
| IUPAC Name | (1R,3aS,5aR,5bR,7aR,9S,11aR,11bR,13aR,13bR)-3a-(hydroxymethyl)-5a,5b,8,8,11a-pentamethyl-1-prop-1-en-2-yl-1,2,3,4,5,6,7,7a,9,10,11,11b,12,13,13a,13b-hexadecahydrocyclopenta[a]chrysen-9-ol |
| Canonical SMILES | OC[C@@]12CC[C@H]([C@@H]2[C@@H]2[C@](CC1)(C)[C@]1(C)CC[C@@H]3[C@]([C@H]1CC2)(C)CC[C@@H](C3(C)C)O)C(=C)C |
| Standard InCHI | InChI=1S/C30H50O2/c1-19(2)20-10-15-30(18-31)17-16-28(6)21(25(20)30)8-9-23-27(5)13-12-24(32)26(3,4)22(27)11-14-29(23,28)7/h20-25,31-32H,1,8-18H2,2-7H3/t20-,21+,22-,23+,24-,25+,27-,28+,29+,30+/m0/s1 |
| Standard InCHIKey | FVWJYYTZTCVBKE-ROUWMTJPSA-N |
| External Identifiers | ChEMBL [CHEMBL23236]; PubChem [72326]; |
| Reference of Component-Ingredient Pair | 22782538 |
Occurrence of the ingredient across TCM components
| Component ID | Latin Name | Pinyin Name | Chinese Name |
|---|---|---|---|
| TCMH1039 | Kummerowia striata | Ji Yan Cao | 鸡眼草 |
| TCMH1121 | Cardiospermum halicacabum | Jin Si Ku Lian | 金丝苦楝 |
| TCMH1417 | Pinus massoniana | Ma Wei Song Gen | 马尾松根 |
| TCMH1418 | Pinus massoniana | Ma Wei Song Shu Gen | 马尾松树根 |
| TCMH1452 | Gerbera piloselloides | Mao Da Ding Cao | 毛大丁草 |
| TCMH1584 | Achyranthes bidentata | Niu Teng | 牛藤 |
| TCMH1588 | Achyranthes bidentata | Niu Xi | 牛膝 |
| TCMH1597 | Ligustrum lucidum | Nv Zhen Zi | 女贞子 |
| TCMH1643 | Syzygium jambos | Pu Tao(1) | 蒲桃 |
| TCMH1735 | Kummerowia striata | Ren Zi Cao | 人字草 |
Showing 1 to 10 of 32 entries
Ingredient ID: TCMC791
Formula: C40H56
Ingredient ID: TCMC791
| 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 |
Occurrence of the ingredient across TCM components
| 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 |
Showing 1 to 10 of 67 entries
Ingredient ID: TCMC415
Formula: C22H18O11
Ingredient ID: TCMC415
| Common Name | 3,4,5-Trihydroxy-Benzoic Acid (2R,3S)-5,7-Dihydroxy-2-(3,4,5-Trihydroxy-Phenyl)-Chroman-3-Yl Ester |
| IUPAC Name | [(2R,3S)-5,7-dihydroxy-2-(3,4,5-trihydroxyphenyl)-3,4-dihydro-2H-chromen-3-yl] 3,4,5-trihydroxybenzoate |
| Canonical SMILES | Oc1cc(O)c2c(c1)O[C@@H]([C@H](C2)OC(=O)c1cc(O)c(c(c1)O)O)c1cc(O)c(c(c1)O)O |
| Standard InCHI | InChI=1S/C22H18O11/c23-10-5-12(24)11-7-18(33-22(31)9-3-15(27)20(30)16(28)4-9)21(32-17(11)6-10)8-1-13(25)19(29)14(26)2-8/h1-6,18,21,23-30H,7H2/t18-,21+/m0/s1 |
| Standard InCHIKey | WMBWREPUVVBILR-GHTZIAJQSA-N |
| External Identifiers | ChEMBL [CHEMBL126079]; PubChem [5276890]; |
| Reference of Component-Ingredient Pair | N/A |
Occurrence of the ingredient across TCM components
| Component ID | Latin Name | Pinyin Name | Chinese Name |
|---|---|---|---|
| TCMH1322 | Solanum nigrum | Long Kui | 龙葵 |
| TCMH1792 | Morus alba | Sang Pi | 桑皮 |
| TCMH1797 | Morus alba | Sang Ye | 桑叶 |
| TCMH1798 | Morus alba | Sang Zhi | 桑枝 |
| TCMH182 | Areca catechu | Bing Lang | 槟榔 |
| TCMH226 | Camellia sinensis | Cha Ye | 茶叶 |
| TCMH358 | Areca catechu | Da Fu Zi | 大腹子 |
| TCMH51 | Camellia sinensis | Bai Cha | 白茶 |
| TCMH561 | Senegalia catechu | Fang Er Cha | 方儿茶 |
| TCMH86 | Ampelopsis japonica | Bai Lian | 白蔹 |
Showing 1 to 10 of 10 entries
Ingredient ID: TCMC386
Formula: C31H46O2
Ingredient ID: TCMC386
| Common Name | 2-Methyl-3-[(E)-3,7,11,15-Tetramethylhexadec-2-Enyl]Naphthalene-1,4-Dione |
| IUPAC Name | 2-methyl-3-[(E)-3,7,11,15-tetramethylhexadec-2-enyl]naphthalene-1,4-dione |
| Canonical SMILES | CC(CCCC(CCCC(C)C)C)CCC/C(=C/CC1=C(C)C(=O)c2c(C1=O)cccc2)/C |
| Standard InCHI | InChI=1S/C31H46O2/c1-22(2)12-9-13-23(3)14-10-15-24(4)16-11-17-25(5)20-21-27-26(6)30(32)28-18-7-8-19-29(28)31(27)33/h7-8,18-20,22-24H,9-17,21H2,1-6H3/b25-20+ |
| Standard InCHIKey | MBWXNTAXLNYFJB-LKUDQCMESA-N |
| External Identifiers | ChEMBL [CHEMBL520156]; PubChem [5280483]; |
| Reference of Component-Ingredient Pair | N/A |
Occurrence of the ingredient across TCM components
| Component ID | Latin Name | Pinyin Name | Chinese Name |
|---|---|---|---|
| TCMH1005 | Cannabis sativa | Huo Ma Ren | 火麻仁 |
| TCMH1381 | Folium camelliae sinensis | Lv Cha | 绿茶 |
| TCMH1409 | Cannabis sativa | Ma Ren | 麻仁 |
| TCMH1484 | Apis cerana | Mi La | 蜜蜡 |
| TCMH1499 | Changium smyrnioides | Ming Dang Shen | 明党参 |
| TCMH2244 | Prunella vulgaris | Xia Ku Cao | 夏枯草 |
| TCMH226 | Camellia sinensis | Cha Ye | 茶叶 |
| TCMH2538 | Zea mays | Yu Mi Xu | 玉米须 |
| TCMH321 | Rosa roxburghii | Ci Li Guo | 刺梨果 |
| TCMH51 | Camellia sinensis | Bai Cha | 白茶 |
Showing 1 to 10 of 11 entries
Ingredient ID: TCMC352
Formula: C30H48O4
Ingredient ID: TCMC352
| Common Name | 24-Hydroxyursolic Acid |
| IUPAC Name | (1S,2R,4aS,6aR,6aS,6bR,8aR,9S,10S,12aR,14bS)-10-hydroxy-9-(hydroxymethyl)-1,2,6a,6b,9,12a-hexamethyl-2,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydro-1H-picene-4a-carboxylic acid |
| Canonical SMILES | OC[C@@]1(C)[C@@H](O)CC[C@]2([C@H]1CC[C@@]1([C@@H]2CC=C2[C@@]1(C)CC[C@@]1([C@H]2[C@@H](C)[C@@H](CC1)C)C(=O)O)C)C |
| Standard InCHI | InChI=1S/C30H48O4/c1-18-9-14-30(25(33)34)16-15-28(5)20(24(30)19(18)2)7-8-22-26(3)12-11-23(32)27(4,17-31)21(26)10-13-29(22,28)6/h7,18-19,21-24,31-32H,8-17H2,1-6H3,(H,33,34)/t18-,19+,21-,22-,23+,24+,26+,27-,28-,29-,30+/m1/s1 |
| Standard InCHIKey | NZCULBURCGAPSF-OQCQIIONSA-N |
| External Identifiers | ChEMBL [CHEMBL522373]; PubChem [44568920]; |
| Reference of Component-Ingredient Pair | N/A |
Occurrence of the ingredient across TCM components
| Component ID | Latin Name | Pinyin Name | Chinese Name |
|---|---|---|---|
| TCMH1121 | Cardiospermum halicacabum | Jin Si Ku Lian | 金丝苦楝 |
| TCMH1927 | Diospyros kaki | Shi Di | 柿蒂 |
| 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 |
| TCMH1958 | Diospyros kaki | Shi Ye | 柿叶 |
| TCMH2050 | Punica granatum | Suan Shi Liu | 酸石榴 |
| TCMH226 | Camellia sinensis | Cha Ye | 茶叶 |
| TCMH261 | Ericerus pela | Chong Bai La | 虫白蜡 |
| TCMH51 | Camellia sinensis | Bai Cha | 白茶 |
Showing 1 to 10 of 10 entries
Ingredient ID: TCMC350
Formula: C30H48O4
Ingredient ID: TCMC350
| Common Name | 23-Hydroxyursolic Acid |
| IUPAC Name | (1S,2R,4aS,6aR,6aS,6bR,8aR,9R,10S,12aR,14bS)-10-hydroxy-9-(hydroxymethyl)-1,2,6a,6b,9,12a-hexamethyl-2,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydro-1H-picene-4a-carboxylic acid |
| Canonical SMILES | OC[C@]1(C)[C@@H](O)CC[C@]2([C@H]1CC[C@@]1([C@@H]2CC=C2[C@@]1(C)CC[C@@]1([C@H]2[C@@H](C)[C@@H](CC1)C)C(=O)O)C)C |
| Standard InCHI | InChI=1S/C30H48O4/c1-18-9-14-30(25(33)34)16-15-28(5)20(24(30)19(18)2)7-8-22-26(3)12-11-23(32)27(4,17-31)21(26)10-13-29(22,28)6/h7,18-19,21-24,31-32H,8-17H2,1-6H3,(H,33,34)/t18-,19+,21-,22-,23+,24+,26+,27+,28-,29-,30+/m1/s1 |
| Standard InCHIKey | NZCULBURCGAPSF-PQWKYGPVSA-N |
| External Identifiers | ChEMBL [CHEMBL523622]; PubChem [14136881]; |
| Reference of Component-Ingredient Pair | N/A |
Occurrence of the ingredient across TCM components
| Component ID | Latin Name | Pinyin Name | Chinese Name |
|---|---|---|---|
| TCMH1177 | Ilex cornuta | Ju Gu Ye | 枸骨叶 |
| TCMH226 | Camellia sinensis | Cha Ye | 茶叶 |
| TCMH2261 | Fritillaria thunbergii | Xiang Bei | 象贝 |
| TCMH261 | Ericerus pela | Chong Bai La | 虫白蜡 |
| TCMH2729 | Campsis grandiflora | Zi Wei Gen Pi | 紫葳根皮 |
| TCMH51 | Camellia sinensis | Bai Cha | 白茶 |
Showing 1 to 6 of 6 entries
Ingredient ID: TCMC304
Formula: C10H18O
Ingredient ID: TCMC304
| Common Name | 2-(4-Methylcyclohex-3-En-1-Yl)Propan-2-Ol |
| IUPAC Name | 2-(4-methylcyclohex-3-en-1-yl)propan-2-ol |
| Canonical SMILES | CC1=CCC(CC1)C(O)(C)C |
| Standard InCHI | InChI=1S/C10H18O/c1-8-4-6-9(7-5-8)10(2,3)11/h4,9,11H,5-7H2,1-3H3 |
| Standard InCHIKey | WUOACPNHFRMFPN-UHFFFAOYSA-N |
| External Identifiers | ChEMBL [CHEMBL449810]; PubChem [17100]; |
| Reference of Component-Ingredient Pair | 26795242 |
Occurrence of the ingredient across TCM components
| Component ID | Latin Name | Pinyin Name | Chinese Name |
|---|---|---|---|
| TCMH1063 | Curcuma longa | Jiang Huang | 姜黄 |
| TCMH1064 | Coptis chinensis | Jiang Huang Lian | 姜黄连 |
| TCMH108 | Perilla frutescens | Bai Su Zi | 白苏子 |
| TCMH1127 | Lonicera japonica | Jin Yin Hua | 金银花 |
| TCMH1128 | Lonicera japonica | Jin Yin Hua Ti Qu Ye | 金银花提取液 |
| TCMH1161 | Coptis chinensis | Jiu Huang Lian | 酒黄连 |
| TCMH1165 | Murraya paniculata | Jiu Li Xiang | 九里香 |
| TCMH1178 | Citrus reticulata | Ju He | 橘核 |
| TCMH1184 | Citrus reticulata | Ju Pi | 橘皮 |
| TCMH12 | Artemisia argyi | Ai Ye | 艾叶 |
Showing 1 to 10 of 129 entries
Ingredient ID: TCMC2644
Formula: C7H12O
Ingredient ID: TCMC2644
| Common Name | (E)-2-Heptenal |
| IUPAC Name | (E)-hept-2-enal |
| Canonical SMILES | CCCC/C=C/C=O |
| Standard InCHI | InChI=1S/C7H12O/c1-2-3-4-5-6-7-8/h5-7H,2-4H2,1H3/b6-5+ |
| Standard InCHIKey | NDFKTBCGKNOHPJ-AATRIKPKSA-N |
| External Identifiers | ChEMBL [CHEMBL454759]; PubChem [5283316]; |
| Reference of Component-Ingredient Pair | 23004348 |
Occurrence of the ingredient across TCM components
| Component ID | Latin Name | Pinyin Name | Chinese Name |
|---|---|---|---|
| TCMH1185 | Lycium chinense | Gou Qi | 枸杞 |
| TCMH1186 | Lycium chinense | Gou Qi Zi | 枸杞子 |
| TCMH12 | Artemisia argyi | Ai Ye | 艾叶 |
| TCMH120 | Atractylodes macrocephala | Bai Zhu | 白术 |
| TCMH13 | Artemisia argyi | Ai Ye You | 艾叶油 |
| TCMH1343 | Aloe vera | Lu Hui | 芦荟 |
| TCMH1531 | Akebia quinata | Mu Tong | 木通 |
| TCMH1721 | Panax ginseng | Ren Shen | 人参 |
| TCMH1728 | Panax ginseng | Ren Shen Ye | 人参叶 |
| TCMH1770 | Panax notoginseng | San Qi Gan Jin Gao | 三七干浸膏 |
Showing 1 to 10 of 36 entries
Ingredient ID: TCMC2519
Formula: C41H28O27
Ingredient ID: TCMC2519
| Common Name | Geraniin |
| IUPAC Name | n.a. |
| Canonical SMILES | O=C(c1cc(O)c(c(c1)O)O)O[C@@H]1O[C@@H]2COC(=O)c3cc(O)c(c(c3c3c(C(=O)O[C@@H]4[C@H]1OC(=O)c1cc(O)c(c5c1[C@@H]1C(=CC(=O)[C@](O5)(C1(O)O)O)C(=O)O[C@H]24)O)cc(O)c(c3O)O)O)O |
| Standard InCHI | InChI=1S/C41H28O27/c42-13-1-8(2-14(43)24(13)48)34(54)67-39-33-32-30(64-38(58)12-6-19(47)41(61)40(59,60)23(12)22-11(37(57)66-33)5-17(46)27(51)31(22)68-41)18(63-39)7-62-35(55)9-3-15(44)25(49)28(52)20(9)21-10(36(56)65-32)4-16(45)26(50)29(21)53/h1-6,18,23,30,32-33,39,42-46,48-53,59-61H,7H2/t18-,23+,30-,32+,33-,39+,41+/m1/s1 |
| Standard InCHIKey | JQQBXPCJFAKSPG-SVYIMCMUSA-N |
| External Identifiers | ChEMBL [CHEMBL506069]; PubChem [3001497]; |
| Reference of Component-Ingredient Pair | 22476602 |
Occurrence of the ingredient across TCM components
| Component ID | Latin Name | Pinyin Name | Chinese Name |
|---|---|---|---|
| TCMH1247 | Geranium wilfordii | Lao Guan Cao | 老鹳草 |
| TCMH1272 | Forsythia suspensa | Lian Qiao | 连翘 |
| TCMH1681 | Artemisia carvifolia | Qing Hao | 青蒿 |
| TCMH1682 | Artemisia carvifolia | Qing Hao Zi | 青蒿子 |
| TCMH1903 | Zingiber officinale | Sheng Jiang | 生姜 |
| TCMH2113 | Herba acalyphae | Tie Xian Cai | 铁苋菜 |
| TCMH226 | Camellia sinensis | Cha Ye | 茶叶 |
| TCMH2322 | Prunus armeniaca | Xing Ren | 杏仁 |
| TCMH454 | Euphorbia humifusa | Di Jin Cao | 地锦草 |
| TCMH457 | Euphorbia humifusa | Di Mian Cao | 地绵草 |
Showing 1 to 10 of 12 entries
Ingredient ID: TCMC2325
Formula: C21H20O11
Ingredient ID: TCMC2325
| Common Name | Trifolin |
| IUPAC Name | 5,7-dihydroxy-2-(4-hydroxyphenyl)-3-[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxychromen-4-one |
| Canonical SMILES | OC[C@H]1O[C@@H](Oc2c(oc3c(c2=O)c(O)cc(c3)O)c2ccc(cc2)O)[C@@H]([C@H]([C@H]1O)O)O |
| Standard InCHI | InChI=1S/C21H20O11/c22-7-13-15(26)17(28)18(29)21(31-13)32-20-16(27)14-11(25)5-10(24)6-12(14)30-19(20)8-1-3-9(23)4-2-8/h1-6,13,15,17-18,21-26,28-29H,7H2/t13-,15+,17+,18-,21+/m1/s1 |
| Standard InCHIKey | JPUKWEQWGBDDQB-DTGCRPNFSA-N |
| External Identifiers | ChEMBL [CHEMBL453290]; PubChem [5282149]; |
| Reference of Component-Ingredient Pair | 17072829 |
Occurrence of the ingredient across TCM components
| Component ID | Latin Name | Pinyin Name | Chinese Name |
|---|---|---|---|
| TCMH1275 | Nelumbo nucifera | Lian Zi | 莲子 |
| TCMH1276 | Nelumbo nucifera | Lian Zi Xin | 莲子心 |
| TCMH1367 | Apocynum venetum | Luo Bu Ma | 罗布麻 |
| TCMH1435 | Psychotria serpens | Man Jiu Jie | 蔓九节 |
| TCMH1598 | Nelumbo nucifera | Ou | 藕 |
| TCMH1599 | Nelumbo nucifera | Ou Fen | 藕粉 |
| TCMH1601 | Nelumbo nucifera | Ou Pian | 藕片 |
| TCMH1721 | Panax ginseng | Ren Shen | 人参 |
| TCMH1728 | Panax ginseng | Ren Shen Ye | 人参叶 |
| TCMH1839 | Panax ginseng | Shan Shen | 山参 |
Showing 1 to 10 of 25 entries
Ingredient ID: TCMC2238
Formula: C5H4N4O2
Ingredient ID: TCMC2238
| Common Name | Xanthine |
| IUPAC Name | 3,7-dihydropurine-2,6-dione |
| Canonical SMILES | Oc1nc(O)c2c(n1)[nH]cn2 |
| Standard InCHI | InChI=1S/C5H4N4O2/c10-4-2-3(7-1-6-2)8-5(11)9-4/h1H,(H3,6,7,8,9,10,11) |
| Standard InCHIKey | LRFVTYWOQMYALW-UHFFFAOYSA-N |
| External Identifiers | ChEMBL [CHEMBL1424]; PubChem [1188]; |
| Reference of Component-Ingredient Pair | N/A |
Occurrence of the ingredient across TCM components
Ingredient ID: TCMC2216
Formula: C30H48O3
Ingredient ID: TCMC2216
| Common Name | Ursolic Acid |
| IUPAC Name | (1S,2R,4aS,6aR,6aS,6bR,8aR,10S,12aR,14bS)-10-hydroxy-1,2,6a,6b,9,9,12a-heptamethyl-2,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydro-1H-picene-4a-carboxylic acid |
| Canonical SMILES | C[C@@H]1CC[C@]2([C@@H]([C@H]1C)C1=CC[C@H]3[C@@]([C@@]1(CC2)C)(C)CC[C@@H]1[C@]3(C)CC[C@@H](C1(C)C)O)C(=O)O |
| Standard InCHI | InChI=1S/C30H48O3/c1-18-10-15-30(25(32)33)17-16-28(6)20(24(30)19(18)2)8-9-22-27(5)13-12-23(31)26(3,4)21(27)11-14-29(22,28)7/h8,18-19,21-24,31H,9-17H2,1-7H3,(H,32,33)/t18-,19+,21+,22-,23+,24+,27+,28-,29-,30+/m1/s1 |
| Standard InCHIKey | WCGUUGGRBIKTOS-GPOJBZKASA-N |
| External Identifiers | ChEMBL [CHEMBL169]; PubChem [64945]; |
| Reference of Component-Ingredient Pair | 27085377 |
Occurrence of the ingredient across TCM components
| Component ID | Latin Name | Pinyin Name | Chinese Name |
|---|---|---|---|
| TCMH1033 | Centella asiatica | Ji Xue Cao | 积雪草 |
| TCMH1039 | Kummerowia striata | Ji Yan Cao | 鸡眼草 |
| TCMH108 | Perilla frutescens | Bai Su Zi | 白苏子 |
| TCMH1105 | Trollius chinensis | Jin Lian Hua | 金莲花 |
| TCMH1121 | Cardiospermum halicacabum | Jin Si Ku Lian | 金丝苦楝 |
| TCMH1126 | Craibiodendron yunnanese | Jin Ye Zi | 金叶子 |
| TCMH1127 | Lonicera japonica | Jin Yin Hua | 金银花 |
| TCMH1128 | Lonicera japonica | Jin Yin Hua Ti Qu Ye | 金银花提取液 |
| TCMH1133 | Rosa laevigata | Jin Ying Zi | 金樱子 |
| TCMH1134 | Rosa laevigata | Jin Ying Zi Rou | 金樱子肉 |
Showing 1 to 10 of 99 entries
Ingredient ID: TCMC2188
Formula: C17H14O7
Ingredient ID: TCMC2188
| Common Name | Tricin |
| IUPAC Name | 5,7-dihydroxy-2-(4-hydroxy-3,5-dimethoxyphenyl)chromen-4-one |
| Canonical SMILES | COc1cc(cc(c1O)OC)c1cc(=O)c2c(o1)cc(cc2O)O |
| Standard InCHI | InChI=1S/C17H14O7/c1-22-14-3-8(4-15(23-2)17(14)21)12-7-11(20)16-10(19)5-9(18)6-13(16)24-12/h3-7,18-19,21H,1-2H3 |
| Standard InCHIKey | HRGUSFBJBOKSML-UHFFFAOYSA-N |
| External Identifiers | ChEMBL [CHEMBL454320]; PubChem [5281702]; |
| Reference of Component-Ingredient Pair | 22983843 |
Occurrence of the ingredient across TCM components
| Component ID | Latin Name | Pinyin Name | Chinese Name |
|---|---|---|---|
| TCMH1064 | Coptis chinensis | Jiang Huang Lian | 姜黄连 |
| TCMH1127 | Lonicera japonica | Jin Yin Hua | 金银花 |
| TCMH1128 | Lonicera japonica | Jin Yin Hua Ti Qu Ye | 金银花提取液 |
| TCMH1161 | Coptis chinensis | Jiu Huang Lian | 酒黄连 |
| TCMH143 | Albizia julibrissin | Bei He Huan | 北合欢 |
| TCMH1435 | Psychotria serpens | Man Jiu Jie | 蔓九节 |
| TCMH1519 | Oroxylum indicum | Mu Hu Die | 木蝴蝶 |
| 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 |
| TCMH1622 | Scutellaria baicalensis | Pian Qin | 片芩 |
Showing 1 to 10 of 40 entries
Ingredient ID: TCMC2157
Formula: C7H8N4O2
Ingredient ID: TCMC2157
| Common Name | Theophylline |
| IUPAC Name | 1,3-dimethyl-7H-purine-2,6-dione |
| Canonical SMILES | Cn1c(=O)n(C)c2c(c1=O)nc[nH]2 |
| Standard InCHI | InChI=1S/C7H8N4O2/c1-10-5-4(8-3-9-5)6(12)11(2)7(10)13/h3H,1-2H3,(H,8,9) |
| Standard InCHIKey | ZFXYFBGIUFBOJW-UHFFFAOYSA-N |
| External Identifiers | ChEMBL [CHEMBL190]; PubChem [2153]; |
| Reference of Component-Ingredient Pair | N/A |
Occurrence of the ingredient across TCM components
Ingredient ID: TCMC2156
Formula: C7H8N4O2
Ingredient ID: TCMC2156
| Common Name | Theobromine |
| IUPAC Name | 3,7-dimethylpurine-2,6-dione |
| Canonical SMILES | Cn1cnc2c1c(O)nc(=O)n2C |
| Standard InCHI | InChI=1S/C7H8N4O2/c1-10-3-8-5-4(10)6(12)9-7(13)11(5)2/h3H,1-2H3,(H,9,12,13) |
| Standard InCHIKey | YAPQBXQYLJRXSA-UHFFFAOYSA-N |
| External Identifiers | ChEMBL [CHEMBL1114]; PubChem [5429]; |
| Reference of Component-Ingredient Pair | N/A |
Occurrence of the ingredient across TCM components
| Component ID | Latin Name | Pinyin Name | Chinese Name |
|---|---|---|---|
| TCMH1734 | Homo sapiens | Ren Zhong Bai | 人中白 |
| TCMH2215 | Ficus simplicissima | Wu Zhi Mao Tao | 五指毛桃 |
| TCMH226 | Camellia sinensis | Cha Ye | 茶叶 |
| TCMH2710 | Homo sapiens | Zi He Che | 紫河车 |
| TCMH51 | Camellia sinensis | Bai Cha | 白茶 |
| TCMH920 | Quercus dentata | Hu Ye Gan Jin Gao | 槲叶干浸膏 |
Showing 1 to 6 of 6 entries
Ingredient ID: TCMC2045
Formula: C18H16O7
Ingredient ID: TCMC2045
| Common Name | Santin |
| IUPAC Name | 5,7-dihydroxy-3,6-dimethoxy-2-(4-methoxyphenyl)chromen-4-one |
| Canonical SMILES | COc1ccc(cc1)c1oc2cc(O)c(c(c2c(=O)c1OC)O)OC |
| Standard InCHI | InChI=1S/C18H16O7/c1-22-10-6-4-9(5-7-10)16-18(24-3)15(21)13-12(25-16)8-11(19)17(23-2)14(13)20/h4-8,19-20H,1-3H3 |
| Standard InCHIKey | DWZAJFZEYZIHPO-UHFFFAOYSA-N |
| External Identifiers | ChEMBL [CHEMBL161957]; PubChem [5281695]; |
| Reference of Component-Ingredient Pair | 22495350 |
Occurrence of the ingredient across TCM components
| Component ID | Latin Name | Pinyin Name | Chinese Name |
|---|---|---|---|
| TCMH1856 | Gardenia jasminoides | Shan Zhi | 山栀 |
| TCMH226 | Camellia sinensis | Cha Ye | 茶叶 |
| TCMH2372 | Bergenia purpurascens | Yan Bai Cai | 岩白菜 |
| TCMH261 | Ericerus pela | Chong Bai La | 虫白蜡 |
| TCMH2641 | Gardenia jasminoides | Zhi Zi | 栀子 |
| TCMH2642 | Gardenia jasminoides | Zhi Zi Jin Gao | 栀子浸膏 |
| TCMH51 | Camellia sinensis | Bai Cha | 白茶 |
| TCMH886 | Pithecellobium clypearia | Hou Er Huan | 猴耳环 |
| TCMH887 | Pithecellobium clypearia | Hou Er Huan Gan Jin Gao | 猴耳环干浸膏 |
| TCMH888 | Pithecellobium clypearia | Hou Er Huan Jin Gao | 猴耳环浸膏 |
Showing 1 to 10 of 10 entries
Ingredient ID: TCMC1870
Formula: C9H9NS
Ingredient ID: TCMC1870
| Common Name | Phenethylisothiocyanate |
| IUPAC Name | 2-isothiocyanatoethylbenzene |
| Canonical SMILES | S=C=NCCc1ccccc1 |
| Standard InCHI | InChI=1S/C9H9NS/c11-8-10-7-6-9-4-2-1-3-5-9/h1-5H,6-7H2 |
| Standard InCHIKey | IZJDOKYDEWTZSO-UHFFFAOYSA-N |
| External Identifiers | ChEMBL [CHEMBL151649]; PubChem [16741]; |
| Reference of Component-Ingredient Pair | 22664424 |
Occurrence of the ingredient across TCM components
Ingredient ID: TCMC1786
Formula: C30H48O3
Ingredient ID: TCMC1786
| 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 |
Occurrence of the ingredient across TCM components
| 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 |
Showing 1 to 10 of 135 entries
Ingredient ID: TCMC1741
Formula: C6H5NO2
Ingredient ID: TCMC1741
| Common Name | Niacin |
| IUPAC Name | pyridine-3-carboxylic acid |
| Canonical SMILES | OC(=O)c1cccnc1 |
| Standard InCHI | InChI=1S/C6H5NO2/c8-6(9)5-2-1-3-7-4-5/h1-4H,(H,8,9) |
| Standard InCHIKey | PVNIIMVLHYAWGP-UHFFFAOYSA-N |
| External Identifiers | ChEMBL [CHEMBL573]; PubChem [938]; |
| Reference of Component-Ingredient Pair | 28437613 |
Occurrence of the ingredient across TCM components
| Component ID | Latin Name | Pinyin Name | Chinese Name |
|---|---|---|---|
| TCMH1185 | Lycium chinense | Gou Qi | 枸杞 |
| TCMH1186 | Lycium chinense | Gou Qi Zi | 枸杞子 |
| TCMH1195 | Oleum aurantii | Ju Zi Xiang Jing | 橘子香精 |
| TCMH1211 | Melia azedarach | Ku Lian Pi | 苦楝皮 |
| TCMH1212 | Melia azedarach | Ku Lian Zi | 苦楝子 |
| TCMH1263 | Cyprinus carpio | Li Yu | 鲤鱼 |
| TCMH1316 | Dens draconis | Long Chi | 龙齿 |
| TCMH1381 | Folium camelliae sinensis | Lv Cha | 绿茶 |
| TCMH1420 | Oleum sesami | Ma You | 麻油 |
| TCMH1430 | Hordeum vulgare | Mai Ya | 麦芽 |
Showing 1 to 10 of 56 entries
Ingredient ID: TCMC1402
Formula: C21H20O13
Ingredient ID: TCMC1402
| Common Name | Isomyricitrin |
| IUPAC Name | 5,7-dihydroxy-3-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-2-(3,4,5-trihydroxyphenyl)chromen-4-one |
| Canonical SMILES | OC[C@H]1O[C@@H](Oc2c(oc3c(c2=O)c(O)cc(c3)O)c2cc(O)c(c(c2)O)O)[C@@H]([C@H]([C@@H]1O)O)O |
| Standard InCHI | InChI=1S/C21H20O13/c22-5-12-15(28)17(30)18(31)21(33-12)34-20-16(29)13-8(24)3-7(23)4-11(13)32-19(20)6-1-9(25)14(27)10(26)2-6/h1-4,12,15,17-18,21-28,30-31H,5H2/t12-,15-,17+,18-,21+/m1/s1 |
| Standard InCHIKey | FOHXFLPXBUAOJM-LIBJPBHASA-N |
| External Identifiers | ChEMBL [CHEMBL1221722]; PubChem [5318606]; |
| Reference of Component-Ingredient Pair | N/A |
Occurrence of the ingredient across TCM components
| Component ID | Latin Name | Pinyin Name | Chinese Name |
|---|---|---|---|
| TCMH123 | Pteris semipinnata | Ban Bian Qi | 半边旗 |
| TCMH1859 | Helicteres angustifolia | Shan Zhi Ma | 山芝麻 |
| TCMH1860 | Helicteres angustifolia | Shan Zhi Ma Gan Jin Gao | 山芝麻干浸膏 |
| TCMH226 | Camellia sinensis | Cha Ye | 茶叶 |
| TCMH231 | Litsea rotundifolia | Chai Pi Zhang | 豺皮樟 |
| TCMH426 | Codonopsis pilosula | Dang Shen | 党参 |
| TCMH428 | Codonopsis pilosula | Dang Shen Qing Gao | 党参清膏 |
| TCMH454 | Euphorbia humifusa | Di Jin Cao | 地锦草 |
| TCMH457 | Euphorbia humifusa | Di Mian Cao | 地绵草 |
| TCMH51 | Camellia sinensis | Bai Cha | 白茶 |
Showing 1 to 10 of 10 entries
Ingredient ID: TCMC14
Formula: C23H20O10
Ingredient ID: TCMC14
| Common Name | (-)-Epicatechin 3-O-(3'-O-Methyl)Gallate |
| IUPAC Name | [(2R,3R)-2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-3,4-dihydro-2H-chromen-3-yl] 3,4-dihydroxy-5-methoxybenzoate |
| Canonical SMILES | COc1cc(cc(c1O)O)C(=O)O[C@@H]1Cc2c(O)cc(cc2O[C@@H]1c1ccc(c(c1)O)O)O |
| Standard InCHI | InChI=1S/C23H20O10/c1-31-19-6-11(5-17(28)21(19)29)23(30)33-20-9-13-15(26)7-12(24)8-18(13)32-22(20)10-2-3-14(25)16(27)4-10/h2-8,20,22,24-29H,9H2,1H3/t20-,22-/m1/s1 |
| Standard InCHIKey | XGTBMCGGGJLOPS-IFMALSPDSA-N |
| External Identifiers | ChEMBL [CHEMBL158521]; PubChem [467296]; |
| Reference of Component-Ingredient Pair | N/A |
Occurrence of the ingredient across TCM components
Ingredient ID: TCMC1372
Formula: C8H7N
Ingredient ID: TCMC1372
| Common Name | Indole |
| IUPAC Name | 1H-indole |
| Canonical SMILES | c1ccc2c(c1)[nH]cc2 |
| Standard InCHI | InChI=1S/C8H7N/c1-2-4-8-7(3-1)5-6-9-8/h1-6,9H |
| Standard InCHIKey | SIKJAQJRHWYJAI-UHFFFAOYSA-N |
| External Identifiers | ChEMBL [CHEMBL15844]; PubChem [798]; |
| Reference of Component-Ingredient Pair | N/A |
Occurrence of the ingredient across TCM components
| Component ID | Latin Name | Pinyin Name | Chinese Name |
|---|---|---|---|
| TCMH1127 | Lonicera japonica | Jin Yin Hua | 金银花 |
| TCMH1128 | Lonicera japonica | Jin Yin Hua Ti Qu Ye | 金银花提取液 |
| TCMH1236 | Chimonanthus fragrans | La Mei Hua | 腊梅花 |
| TCMH1291 | Viverra zibetha | Ling Mao Xiang | 灵猫香 |
| TCMH1531 | Akebia quinata | Mu Tong | 木通 |
| TCMH1714 | Lonicera japonica | Ren Dong Teng | 忍冬藤 |
| TCMH1846 | Artemisia capillaris | Shan Yin Chen | 山茵陈 |
| TCMH197 | Bombyx mori | Can E | 蚕蛾 |
| TCMH200 | Bombyx mori | Can Jian | 蚕茧 |
| TCMH201 | Bombyx mori | Can Sha | 蚕砂 |
Showing 1 to 10 of 19 entries
Ingredient ID: TCMC13
Formula: C15H14O6
Ingredient ID: TCMC13
| Common Name | (-)-Epicatechin |
| IUPAC Name | (2R,3R)-2-(3,4-dihydroxyphenyl)-3,4-dihydro-2H-chromene-3,5,7-triol |
| Canonical SMILES | Oc1cc2O[C@H](c3ccc(c(c3)O)O)[C@@H](Cc2c(c1)O)O |
| Standard InCHI | InChI=1S/C15H14O6/c16-8-4-11(18)9-6-13(20)15(21-14(9)5-8)7-1-2-10(17)12(19)3-7/h1-5,13,15-20H,6H2/t13-,15-/m1/s1 |
| Standard InCHIKey | PFTAWBLQPZVEMU-UKRRQHHQSA-N |
| External Identifiers | ChEMBL [CHEMBL583912]; PubChem [72276]; |
| Reference of Component-Ingredient Pair | 23122145 |
Occurrence of the ingredient across TCM components
| Component ID | Latin Name | Pinyin Name | Chinese Name |
|---|---|---|---|
| TCMH1011 | Sargentodoxa cuneata | Huo Xue Teng | 活血藤 |
| TCMH1033 | Centella asiatica | Ji Xue Cao | 积雪草 |
| TCMH1039 | Kummerowia striata | Ji Yan Cao | 鸡眼草 |
| TCMH1105 | Trollius chinensis | Jin Lian Hua | 金莲花 |
| TCMH1117 | Rhizoma fagopyri cymosi | Jin Qiao Mai | 金荞麦 |
| TCMH1133 | Rosa laevigata | Jin Ying Zi | 金樱子 |
| TCMH1134 | Rosa laevigata | Jin Ying Zi Rou | 金樱子肉 |
| TCMH1135 | Rosa laevigata | Jin Ying Zi Ti Qu Ye | 金樱子提取液 |
| TCMH1165 | Murraya paniculata | Jiu Li Xiang | 九里香 |
| TCMH120 | Atractylodes macrocephala | Bai Zhu | 白术 |
Showing 1 to 10 of 104 entries
Ingredient ID: TCMC1204
Formula: C15H14O7
Ingredient ID: TCMC1204
| Common Name | Gallocatechin |
| IUPAC Name | (2R,3S)-2-(3,4,5-trihydroxyphenyl)-3,4-dihydro-2H-chromene-3,5,7-triol |
| Canonical SMILES | Oc1cc2O[C@H](c3cc(O)c(c(c3)O)O)[C@H](Cc2c(c1)O)O |
| Standard InCHI | InChI=1S/C15H14O7/c16-7-3-9(17)8-5-12(20)15(22-13(8)4-7)6-1-10(18)14(21)11(19)2-6/h1-4,12,15-21H,5H2/t12-,15+/m0/s1 |
| Standard InCHIKey | XMOCLSLCDHWDHP-SWLSCSKDSA-N |
| External Identifiers | ChEMBL [CHEMBL125743]; PubChem [65084]; |
| Reference of Component-Ingredient Pair | 21110817 |
Occurrence of the ingredient across TCM components
| Component ID | Latin Name | Pinyin Name | Chinese Name |
|---|---|---|---|
| TCMH1367 | Apocynum venetum | Luo Bu Ma | 罗布麻 |
| TCMH1396 | Portulaca oleracea | Ma Chi Xian | 马齿苋 |
| TCMH1792 | Morus alba | Sang Pi | 桑皮 |
| TCMH1797 | Morus alba | Sang Ye | 桑叶 |
| TCMH1798 | Morus alba | Sang Zhi | 桑枝 |
| TCMH182 | Areca catechu | Bing Lang | 槟榔 |
| TCMH1856 | Gardenia jasminoides | Shan Zhi | 山栀 |
| 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 |
Showing 1 to 10 of 21 entries
Ingredient ID: TCMC1118
Formula: C22H18O11
Ingredient ID: TCMC1118
| Common Name | Epigalocatechin Gallate |
| IUPAC Name | [(2R,3R)-5,7-dihydroxy-2-(3,4,5-trihydroxyphenyl)-3,4-dihydro-2H-chromen-3-yl] 3,4,5-trihydroxybenzoate |
| Canonical SMILES | Oc1cc(O)c2c(c1)O[C@@H]([C@@H](C2)OC(=O)c1cc(O)c(c(c1)O)O)c1cc(O)c(c(c1)O)O |
| Standard InCHI | InChI=1S/C22H18O11/c23-10-5-12(24)11-7-18(33-22(31)9-3-15(27)20(30)16(28)4-9)21(32-17(11)6-10)8-1-13(25)19(29)14(26)2-8/h1-6,18,21,23-30H,7H2/t18-,21-/m1/s1 |
| Standard InCHIKey | WMBWREPUVVBILR-WIYYLYMNSA-N |
| External Identifiers | ChEMBL [CHEMBL297453]; PubChem [65064]; |
| Reference of Component-Ingredient Pair | N/A |
Occurrence of the ingredient across TCM components
| Component ID | Latin Name | Pinyin Name | Chinese Name |
|---|---|---|---|
| TCMH1322 | Solanum nigrum | Long Kui | 龙葵 |
| TCMH1381 | Folium camelliae sinensis | Lv Cha | 绿茶 |
| TCMH1792 | Morus alba | Sang Pi | 桑皮 |
| TCMH1797 | Morus alba | Sang Ye | 桑叶 |
| TCMH1798 | Morus alba | Sang Zhi | 桑枝 |
| TCMH1856 | Gardenia jasminoides | Shan Zhi | 山栀 |
| TCMH226 | Camellia sinensis | Cha Ye | 茶叶 |
| TCMH2353 | Lespedeza bicolor | Xue Ren Shen | 血人参 |
| TCMH2435 | Myrica rubra | Yang Mei Gen | 杨梅根 |
| TCMH2641 | Gardenia jasminoides | Zhi Zi | 栀子 |
Showing 1 to 10 of 14 entries
Ingredient ID: TCMC1117
Formula: C15H14O7
Ingredient ID: TCMC1117
| Common Name | Epigallocatechin |
| IUPAC Name | (2R,3R)-2-(3,4,5-trihydroxyphenyl)-3,4-dihydro-2H-chromene-3,5,7-triol |
| Canonical SMILES | Oc1cc2O[C@H](c3cc(O)c(c(c3)O)O)[C@@H](Cc2c(c1)O)O |
| Standard InCHI | InChI=1S/C15H14O7/c16-7-3-9(17)8-5-12(20)15(22-13(8)4-7)6-1-10(18)14(21)11(19)2-6/h1-4,12,15-21H,5H2/t12-,15-/m1/s1 |
| Standard InCHIKey | XMOCLSLCDHWDHP-IUODEOHRSA-N |
| External Identifiers | ChEMBL [CHEMBL47386]; PubChem [72277]; |
| Reference of Component-Ingredient Pair | 23122145 |
Occurrence of the ingredient across TCM components
| Component ID | Latin Name | Pinyin Name | Chinese Name |
|---|---|---|---|
| TCMH1039 | Kummerowia striata | Ji Yan Cao | 鸡眼草 |
| TCMH1105 | Trollius chinensis | Jin Lian Hua | 金莲花 |
| TCMH1227 | Tripterygium hypoglaucum | Kun Ming Shan Hai Tang | 昆明山海棠 |
| TCMH1322 | Solanum nigrum | Long Kui | 龙葵 |
| TCMH1367 | Apocynum venetum | Luo Bu Ma | 罗布麻 |
| TCMH1452 | Gerbera piloselloides | Mao Da Ding Cao | 毛大丁草 |
| TCMH1681 | Artemisia carvifolia | Qing Hao | 青蒿 |
| TCMH1682 | Artemisia carvifolia | Qing Hao Zi | 青蒿子 |
| TCMH1735 | Kummerowia striata | Ren Zi Cao | 人字草 |
| TCMH1792 | Morus alba | Sang Pi | 桑皮 |
Showing 1 to 10 of 34 entries
Ingredient ID: TCMC1113
Formula: C22H18O10
Ingredient ID: TCMC1113
| Common Name | Epicatechin Gallate |
| IUPAC Name | [(2R,3R)-2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-3,4-dihydro-2H-chromen-3-yl] 3,4,5-trihydroxybenzoate |
| Canonical SMILES | Oc1cc(O)c2c(c1)O[C@@H]([C@@H](C2)OC(=O)c1cc(O)c(c(c1)O)O)c1ccc(c(c1)O)O |
| Standard InCHI | InChI=1S/C22H18O10/c23-11-6-14(25)12-8-19(32-22(30)10-4-16(27)20(29)17(28)5-10)21(31-18(12)7-11)9-1-2-13(24)15(26)3-9/h1-7,19,21,23-29H,8H2/t19-,21-/m1/s1 |
| Standard InCHIKey | LSHVYAFMTMFKBA-TZIWHRDSSA-N |
| External Identifiers | ChEMBL [CHEMBL36327]; PubChem [107905]; |
| Reference of Component-Ingredient Pair | 23132683 |
Occurrence of the ingredient across TCM components
| Component ID | Latin Name | Pinyin Name | Chinese Name |
|---|---|---|---|
| TCMH1275 | Nelumbo nucifera | Lian Zi | 莲子 |
| TCMH1276 | Nelumbo nucifera | Lian Zi Xin | 莲子心 |
| TCMH1446 | Vaccinium oxycoccos | Man Yue Mei | 蔓越莓 |
| TCMH1475 | Glycyrrhiza uralensis | Mi Gan Cao | 蜜甘草 |
| TCMH1518 | Chaenomeles sinensis | Mu Gua | 木瓜 |
| TCMH1598 | Nelumbo nucifera | Ou | 藕 |
| TCMH1599 | Nelumbo nucifera | Ou Fen | 藕粉 |
| TCMH1601 | Nelumbo nucifera | Ou Pian | 藕片 |
| TCMH1742 | Cinnamomum cassia | Rou Gui | 肉桂 |
| TCMH1746 | Cinnamomum cassia | Rou Gui Zi | 肉桂子 |
Showing 1 to 10 of 47 entries
Ingredient ID: TCMC1099
Formula: C19H18O5
Ingredient ID: TCMC1099
| Common Name | Egonol |
| IUPAC Name | 3-[2-(1,3-benzodioxol-5-yl)-7-methoxy-1-benzofuran-5-yl]propan-1-ol |
| Canonical SMILES | OCCCc1cc2cc(oc2c(c1)OC)c1ccc2c(c1)OCO2 |
| Standard InCHI | InChI=1S/C19H18O5/c1-21-18-8-12(3-2-6-20)7-14-10-16(24-19(14)18)13-4-5-15-17(9-13)23-11-22-15/h4-5,7-10,20H,2-3,6,11H2,1H3 |
| Standard InCHIKey | VOLZBKQSLGCZGC-UHFFFAOYSA-N |
| External Identifiers | ChEMBL [CHEMBL470981]; PubChem [485186]; |
| Reference of Component-Ingredient Pair | N/A |
Occurrence of the ingredient across TCM components
Ingredient ID: TCMC1064
Formula: C16H12O6
Ingredient ID: TCMC1064
| Common Name | Diosmetin |
| IUPAC Name | 5,7-dihydroxy-2-(3-hydroxy-4-methoxyphenyl)chromen-4-one |
| Canonical SMILES | COc1ccc(cc1O)c1cc(=O)c2c(o1)cc(cc2O)O |
| Standard InCHI | InChI=1S/C16H12O6/c1-21-13-3-2-8(4-10(13)18)14-7-12(20)16-11(19)5-9(17)6-15(16)22-14/h2-7,17-19H,1H3 |
| Standard InCHIKey | MBNGWHIJMBWFHU-UHFFFAOYSA-N |
| External Identifiers | ChEMBL [CHEMBL90568]; PubChem [5281612]; |
| Reference of Component-Ingredient Pair | 22860452 |
Occurrence of the ingredient across TCM components
| Component ID | Latin Name | Pinyin Name | Chinese Name |
|---|---|---|---|
| TCMH1141 | Schizonepeta tenuifolia | Jing Jie | 荆芥 |
| TCMH1144 | Schizonepetae herba | Jing Jie Tan | 荆芥炭 |
| TCMH122 | Lobelia chinensis | Ban Bian Lian | 半边莲 |
| TCMH1275 | Nelumbo nucifera | Lian Zi | 莲子 |
| TCMH1276 | Nelumbo nucifera | Lian Zi Xin | 莲子心 |
| TCMH1460 | Zanthoxylum nitidum | Mao Liang Mian Zhen | 毛两面针 |
| TCMH1503 | Eclipta prostrata | Mo Han Lian | 墨旱莲 |
| TCMH1598 | Nelumbo nucifera | Ou | 藕 |
| TCMH1599 | Nelumbo nucifera | Ou Fen | 藕粉 |
| TCMH1601 | Nelumbo nucifera | Ou Pian | 藕片 |
Showing 1 to 10 of 48 entries
Properties
| Ingredient ID | Formulae | Name | MW | AlogP | MlogP | XlogP | # HBA | # HBD | PSA | # Rotatable Bond | # Ring | # Heacy Atom | Lipinski RO5 Violation |
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| TCMC1064 | C16H12O6 | Diosmetin | 300.06 | -1.9363 | 2.56 | 1.123 | 1 | 3 | 96.22 | 6 | 3 | 22 | 0 |
| TCMC1099 | C19H18O5 | Egonol | 326.12 | -1.1829 | 3 | 3.075 | 1 | 1 | 61.06 | 7 | 4 | 24 | 0 |
| TCMC1113 | C22H18O10 | Epicatechin Gallate | 442.09 | -3.5057 | 2.78 | 1.228 | 2 | 7 | 177.14 | 11 | 4 | 32 | 1 |
| TCMC1117 | C15H14O7 | Epigallocatechin | 306.07 | -2.9543 | 2.34 | -0.128 | 1 | 6 | 130.61 | 7 | 3 | 22 | 1 |
| TCMC1118 | C22H18O11 | Epigalocatechin Gallate | 458.08 | -3.966 | 2.67 | 0.694 | 2 | 8 | 197.37 | 12 | 4 | 33 | 1 |
| TCMC1204 | C15H14O7 | Gallocatechin | 306.07 | -2.9543 | 2.34 | -0.128 | 1 | 6 | 130.61 | 7 | 3 | 22 | 1 |
| TCMC13 | C15H14O6 | (-)-Epicatechin | 290.08 | -2.494 | 2.45 | 0.406 | 1 | 5 | 110.38 | 6 | 3 | 21 | 0 |
| TCMC1372 | C8H7N | Indole | 117.06 | -0.4204 | 2.23 | 2.45 | 1 | 1 | 15.79 | 0 | 2 | 9 | 0 |
| TCMC14 | C23H20O10 | (-)-Epicatechin 3-O-(3'-O-Methyl)Gallate | 456.11 | -3.0972 | 2.89 | 1.318 | 2 | 6 | 166.14 | 12 | 4 | 33 | 1 |
| TCMC1402 | C21H20O13 | Isomyricitrin | 480.09 | -5.3524 | 2.34 | -0.888 | 7 | 9 | 226.83 | 13 | 4 | 34 | 1 |
Showing 1 to 10 of 35 entries
Download Data
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