Description of the Component
Component ID |
TCMH426 |
Latin Name |
Codonopsis pilosula |
English Name |
Pilose asiabell |
Chinese Pinyin Name |
Dang Shen |
中文名 |
党参 |
TCM Properties |
Mild,Sweet |
TCM Meridians |
Lung,Spleen |
Therapeutic Class English |
For tonifying weakness |
Therapeutic Class Chinese |
补虚 |
Functions |
reinforce qi and invigorate the function of the spleen and the lung |
Toxicity |
NA |
Geo-authentic habitats (道地产区) |
Sichuan Province,Chongqing, Shanxi Province |
Reference |
Chinese Pharmacopoeia (2015) |
Barcode ID |
ITSAL4530-14 |
Barcode Source |
BOLDSYSTEMS |
TCM Prescriptions with the Component
| Prescription ID | Prescription English Name | Prescription Chinese Name |
|---|---|---|
| TCMF1001 | Xu Han Wei Tong Granules | 虚寒胃痛颗粒 |
| TCMF1017 | Yi Fei Qing Hua Ointment | 益肺清化膏 |
| TCMF1018 | Yi Nao Ning Tablet | 益脑宁片 |
| TCMF106 | Tian Meng Oral Liquid | 甜梦口服液 |
| TCMF1062 | Tian Meng Capsule | 甜梦胶囊 |
| TCMF1090 | Tian Jing Bu Shen Ointment | 添精补肾膏 |
| TCMF1091 | Jing Fu Kang Granules | 颈复康颗粒 |
| TCMF1096 | Hu Po Hai Jing Pills | 琥珀还睛丸 |
| TCMF1106 | Wen Wei Shu Capsule | 温胃舒胶囊 |
| TCMF1119 | Bi Qi Capsule | 痹祺胶囊 |
Showing 1 to 10 of 669 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 |
| TCMT11 | HIF1A | Hypoxia-inducible factor 1 alpha | Transcription factor | Q16665 |
| TCMT112 | ADORA3 | Adenosine A3 receptor | GPCR | P0DMS8 |
| TCMT125 | GBA | Beta-glucocerebrosidase | Hydrolase | P04062 |
| TCMT13 | APEX1 | DNA-(apurinic or apyrimidinic site) lyase | Lyase | P27695 |
| TCMT130 | ALOX5 | Arachidonate 5-lipoxygenase | Oxidoreductase | P09917 |
| TCMT131 | ACHE | Acetylcholinesterase | Hydrolase | P22303 |
| TCMT132 | BCHE | Butyrylcholinesterase | Hydrolase | P06276 |
| TCMT133 | CA1 | Carbonic anhydrase I | Lyase | P00915 |
Showing 1 to 10 of 145 entries
Targeted Pathogenic Microbes by the Ingredient of Component
| Target ID | Target Name |
|---|---|
| TCMT1088 | Carbonic anhydrase |
| TCMT1090 | Human immunodeficiency virus type 1 integrase |
| TCMT1092 | Fatty acid synthase |
| TCMT1093 | Enoyl-acyl-carrier protein reductase |
| TCMT1094 | 3-oxoacyl-acyl-carrier protein reductase |
| TCMT1099 | Neuraminidase |
| TCMT1108 | Integrase |
| TCMT1109 | Reverse transcriptase |
| TCMT1121 | Sialidase |
| TCMT1136 | Neuraminidase |
Showing 1 to 10 of 38 entries
Ingredient Structrues
Ingredient ID: TCMC923
Formula: C6H8O7
Ingredient ID: TCMC923
| Common Name | Citric Acid |
| IUPAC Name | 2-hydroxypropane-1,2,3-tricarboxylic acid |
| Canonical SMILES | OC(=O)C(CC(=O)O)(CC(=O)O)O |
| Standard InCHI | InChI=1S/C6H8O7/c7-3(8)1-6(13,5(11)12)2-4(9)10/h13H,1-2H2,(H,7,8)(H,9,10)(H,11,12) |
| Standard InCHIKey | KRKNYBCHXYNGOX-UHFFFAOYSA-N |
| External Identifiers | ChEMBL [CHEMBL1261]; PubChem [311]; |
| Reference of Component-Ingredient Pair | 27765674 |
Occurrence of the ingredient across TCM components
| 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 |
| TCMH1121 | Cardiospermum halicacabum | Jin Si Ku Lian | 金丝苦楝 |
| TCMH1162 | Sarcandra glabra | Jiu Jie Cha | 九节茶 |
| TCMH1223 | Tussilago farfara | Kuan Dong Hua | 款冬花 |
| TCMH1446 | Vaccinium oxycoccos | Man Yue Mei | 蔓越莓 |
| TCMH1448 | Mangifera indica | Mang Guo Ye | 芒果叶 |
| TCMH1483 | Tussilago farfara | Mi Kuan Dong Hua | 蜜款冬花 |
| TCMH1489 | Papaver somniferum | Mi Ying Su Ke | 蜜罂粟壳 |
Showing 1 to 10 of 66 entries
Ingredient ID: TCMC801
Formula: C29H50O
Ingredient ID: TCMC801
| Common Name | Beta-Sitosterol |
| IUPAC Name | (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-ol |
| 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 |
| Standard InCHI | InChI=1S/C29H50O/c1-7-21(19(2)3)9-8-20(4)25-12-13-26-24-11-10-22-18-23(30)14-16-28(22,5)27(24)15-17-29(25,26)6/h10,19-21,23-27,30H,7-9,11-18H2,1-6H3/t20-,21-,23+,24+,25-,26+,27+,28+,29-/m1/s1 |
| Standard InCHIKey | KZJWDPNRJALLNS-VJSFXXLFSA-N |
| External Identifiers | ChEMBL [CHEMBL221542]; PubChem [222284]; |
| Reference of Component-Ingredient Pair | 24130033 |
Occurrence of the ingredient across TCM components
| Component ID | Latin Name | Pinyin Name | Chinese Name |
|---|---|---|---|
| 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 |
| TCMH1017 | Oxytropis myriophylla | Ji Dou | 棘豆 |
| TCMH1032 | Impatiens balsamina | Ji Xing Zi | 急性子 |
| TCMH1033 | Centella asiatica | Ji Xue Cao | 积雪草 |
| TCMH1045 | Piper sarmentosum | Jia Ju | 假蒟 |
| TCMH1051 | Piper sarmentosum | Jia 蒟ye | 假蒟叶 |
| TCMH1063 | Curcuma longa | Jiang Huang | 姜黄 |
| TCMH1064 | Coptis chinensis | Jiang Huang Lian | 姜黄连 |
Showing 1 to 10 of 331 entries
Ingredient ID: TCMC798
Formula: C10H8O
Ingredient ID: TCMC798
| Common Name | Betanaphthol |
| IUPAC Name | naphthalen-2-ol |
| Canonical SMILES | Oc1ccc2c(c1)cccc2 |
| Standard InCHI | InChI=1S/C10H8O/c11-10-6-5-8-3-1-2-4-9(8)7-10/h1-7,11H |
| Standard InCHIKey | JWAZRIHNYRIHIV-UHFFFAOYSA-N |
| External Identifiers | ChEMBL [CHEMBL14126]; PubChem [8663]; |
| Reference of Component-Ingredient Pair | N/A |
Occurrence of the ingredient across TCM components
Ingredient ID: TCMC737
Formula: C21H20O11
Ingredient ID: TCMC737
| Common Name | Astragalin |
| IUPAC Name | 5,7-dihydroxy-2-(4-hydroxyphenyl)-3-[(2S,3R,4S,5S,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-QSOFNFLRSA-N |
| External Identifiers | ChEMBL [CHEMBL233930]; PubChem [5282102]; |
| Reference of Component-Ingredient Pair | 22667148 |
Occurrence of the ingredient across TCM components
| Component ID | Latin Name | Pinyin Name | Chinese Name |
|---|---|---|---|
| TCMH1000 | Foeniculum vulgare | Hui Xiang | 茴香 |
| TCMH101 | Chelidonium majus | Bai Qu Cai | 白屈菜 |
| TCMH1032 | Impatiens balsamina | Ji Xing Zi | 急性子 |
| TCMH1033 | Centella asiatica | Ji Xue Cao | 积雪草 |
| TCMH1096 | Inula japonica | Jin Fei Cao | 金沸草 |
| 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 |
| TCMH120 | Atractylodes macrocephala | Bai Zhu | 白术 |
| TCMH1223 | Tussilago farfara | Kuan Dong Hua | 款冬花 |
Showing 1 to 10 of 101 entries
Ingredient ID: TCMC673
Formula: C29H50O2
Ingredient ID: TCMC673
| Common Name | Alpha-Tochopherol |
| IUPAC Name | 2,5,7,8-tetramethyl-2-(4,8,12-trimethyltridecyl)-3,4-dihydrochromen-6-ol |
| Canonical SMILES | CC(CCCC1(C)CCc2c(O1)c(C)c(c(c2C)O)C)CCCC(CCCC(C)C)C |
| Standard InCHI | InChI=1S/C29H50O2/c1-20(2)12-9-13-21(3)14-10-15-22(4)16-11-18-29(8)19-17-26-25(7)27(30)23(5)24(6)28(26)31-29/h20-22,30H,9-19H2,1-8H3 |
| Standard InCHIKey | GVJHHUAWPYXKBD-UHFFFAOYSA-N |
| External Identifiers | ChEMBL [CHEMBL49563]; PubChem [2116]; |
| Reference of Component-Ingredient Pair | 21736730 |
Occurrence of the ingredient across TCM components
| Component ID | Latin Name | Pinyin Name | Chinese Name |
|---|---|---|---|
| TCMH108 | Perilla frutescens | Bai Su Zi | 白苏子 |
| TCMH1090 | Brassica juncea | Jie Zi | 芥子 |
| TCMH1239 | Raphanus sativus | Lai Fu | 莱菔 |
| TCMH1240 | Raphanus sativus | Lai Fu Zi | 莱菔子 |
| TCMH1499 | Changium smyrnioides | Ming Dang Shen | 明党参 |
| TCMH1632 | Taraxacum mongolicum | Pu Gong Ying | 蒲公英 |
| TCMH1633 | Taraxacum mongolicum | Pu Gong Ying Jin Gao | 蒲公英浸膏 |
| TCMH1708 | Polygonum bistorta | Quan Shen | 拳参 |
| TCMH1903 | Zingiber officinale | Sheng Jiang | 生姜 |
| TCMH1943 | Punica granatum | Shi Liu | 石榴 |
Showing 1 to 10 of 35 entries
Ingredient ID: TCMC632
Formula: C10H13N5O4
Ingredient ID: TCMC632
| Common Name | Adenosine |
| IUPAC Name | (2R,3R,4S,5R)-2-(6-aminopurin-9-yl)-5-(hydroxymethyl)oxolane-3,4-diol |
| Canonical SMILES | OC[C@H]1O[C@H]([C@@H]([C@@H]1O)O)n1cnc2c1ncnc2N |
| Standard InCHI | InChI=1S/C10H13N5O4/c11-8-5-9(13-2-12-8)15(3-14-5)10-7(18)6(17)4(1-16)19-10/h2-4,6-7,10,16-18H,1H2,(H2,11,12,13)/t4-,6-,7-,10-/m1/s1 |
| Standard InCHIKey | OIRDTQYFTABQOQ-KQYNXXCUSA-N |
| External Identifiers | ChEMBL [CHEMBL477]; PubChem [60961]; |
| Reference of Component-Ingredient Pair | 29968805 |
Occurrence of the ingredient across TCM components
| Component ID | Latin Name | Pinyin Name | Chinese Name |
|---|---|---|---|
| TCMH1008 | Pogostemon cablin | Huo Xiang | 藿香 |
| TCMH1009 | Pogostemon cablin | Huo Xiang Ye | 藿香叶 |
| TCMH1127 | Lonicera japonica | Jin Yin Hua | 金银花 |
| TCMH1128 | Lonicera japonica | Jin Yin Hua Ti Qu Ye | 金银花提取液 |
| TCMH1155 | Allium tuberosum | Jiu Cai | 韭菜 |
| TCMH1176 | Allium tuberosum | Jiu Zi | 韭子 |
| TCMH1177 | Ilex cornuta | Ju Gu Ye | 枸骨叶 |
| TCMH1197 | Selaginella tamariscina | Juan Bai | 卷柏 |
| TCMH1223 | Tussilago farfara | Kuan Dong Hua | 款冬花 |
| TCMH126 | Isatis indigotica | Ban Lan | 板蓝 |
Showing 1 to 10 of 96 entries
Ingredient ID: TCMC6207
Formula: C29H46O
Ingredient ID: TCMC6207
| Common Name | Stigmasta-5,22-Dien-3-One |
| IUPAC Name | (8S,9S,10R,13R,14S,17R)-17-[(E,2R,5S)-5-ethyl-6-methylhept-3-en-2-yl]-10,13-dimethyl-1,2,4,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-3-one |
| Canonical SMILES | CC[C@@H](C(C)C)/C=C/[C@H]([C@H]1CC[C@@H]2[C@]1(C)CC[C@H]1[C@H]2CC=C2[C@]1(C)CCC(=O)C2)C |
| Standard InCHI | InChI=1S/C29H46O/c1-7-21(19(2)3)9-8-20(4)25-12-13-26-24-11-10-22-18-23(30)14-16-28(22,5)27(24)15-17-29(25,26)6/h8-10,19-21,24-27H,7,11-18H2,1-6H3/b9-8+/t20-,21-,24+,25-,26+,27+,28+,29-/m1/s1 |
| Standard InCHIKey | XWDAKKDQJHVMKG-LPJPOILFSA-N |
| External Identifiers | ChEMBL [CHEMBL307549]; PubChem [14807783]; |
| Reference of Component-Ingredient Pair | 22263592 |
Occurrence of the ingredient across TCM components
Ingredient ID: TCMC6163
Formula: C15H20O2
Ingredient ID: TCMC6163
| Common Name | Atractylenolide II,Butenolide Ⅱ |
| IUPAC Name | (4aS,8aR,9aS)-3,8a-dimethyl-5-methylidene-4a,6,7,8,9,9a-hexahydro-4H-benzo[f][1]benzofuran-2-one |
| Canonical SMILES | C=C1CCC[C@]2([C@H]1CC1=C(C)C(=O)O[C@H]1C2)C |
| Standard InCHI | InChI=1S/C15H20O2/c1-9-5-4-6-15(3)8-13-11(7-12(9)15)10(2)14(16)17-13/h12-13H,1,4-8H2,2-3H3/t12-,13-,15+/m0/s1 |
| Standard InCHIKey | OQYBLUDOOFOBPO-KCQAQPDRSA-N |
| External Identifiers | ChEMBL [CHEMBL485805]; PubChem [14448070]; |
| Reference of Component-Ingredient Pair | 21809571 |
Occurrence of the ingredient across TCM components
Ingredient ID: TCMC5982
Formula: C35H58O6
Ingredient ID: TCMC5982
| Common Name | Α-Spinasterol-Β-D-Glucoside |
| IUPAC Name | (2R,3R,4S,5S,6R)-2-[[(3S,5S,9R,10S,13R,14R,17R)-17-[(E,2R,5S)-5-ethyl-6-methylhept-3-en-2-yl]-10,13-dimethyl-2,3,4,5,6,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl]oxy]-6-(hydroxymethyl)oxane-3,4,5-triol |
| Canonical SMILES | CC[C@@H](C(C)C)/C=C/[C@H]([C@H]1CC[C@@H]2[C@]1(C)CC[C@H]1C2=CC[C@@H]2[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/C35H58O6/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/h8-9,11,20-24,26-33,36-39H,7,10,12-19H2,1-6H3/b9-8+/t21-,22-,23+,24+,26-,27+,28+,29-,30-,31+,32-,33-,34+,35-/m1/s1 |
| Standard InCHIKey | ITYGLICZKGWOPA-FDZHQVDOSA-N |
| External Identifiers | ChEMBL [N/A]; PubChem [12960505]; |
| Reference of Component-Ingredient Pair | 7945857 |
Occurrence of the ingredient across TCM components
| Component ID | Latin Name | Pinyin Name | Chinese Name |
|---|---|---|---|
| TCMH1080 | Platycodon grandiflorum | Jie Geng | 桔梗 |
| TCMH1588 | Achyranthes bidentata | Niu Xi | 牛膝 |
| TCMH2086 | Trichosanthes kirilowii | Tian Hua Fen | 天花粉 |
| TCMH2490 | Solidago virgaurea var. leiocarpa | Yi Zhi Huang Hua | 一枝黄花 |
| TCMH2493 | Stellaria dichotoma var. lanceolata | Yin Chai Hu | 银柴胡 |
| TCMH426 | Codonopsis pilosula | Dang Shen | 党参 |
Showing 1 to 6 of 6 entries
Ingredient ID: TCMC553
Formula: C6H6O3
Ingredient ID: TCMC553
| Common Name | 5-Hydroxymethyl-Furfural |
| IUPAC Name | 5-(hydroxymethyl)furan-2-carbaldehyde |
| Canonical SMILES | OCc1ccc(o1)C=O |
| Standard InCHI | InChI=1S/C6H6O3/c7-3-5-1-2-6(4-8)9-5/h1-3,8H,4H2 |
| Standard InCHIKey | NOEGNKMFWQHSLB-UHFFFAOYSA-N |
| External Identifiers | ChEMBL [CHEMBL185885]; PubChem [237332]; |
| Reference of Component-Ingredient Pair | 22953879 |
Occurrence of the ingredient across TCM components
| Component ID | Latin Name | Pinyin Name | Chinese Name |
|---|---|---|---|
| TCMH1008 | Pogostemon cablin | Huo Xiang | 藿香 |
| TCMH1009 | Pogostemon cablin | Huo Xiang Ye | 藿香叶 |
| TCMH1160 | Polygonatum sibiricum | Jiu Huang Jing | 酒黄精 |
| TCMH1175 | Cornus officinalis | Jiu Yu Rou | 酒萸肉 |
| TCMH1178 | Citrus reticulata | Ju He | 橘核 |
| TCMH1179 | Citri exocarpium rubrum | Ju Hong | 橘红 |
| TCMH1184 | Citrus reticulata | Ju Pi | 橘皮 |
| TCMH1185 | Lycium chinense | Gou Qi | 枸杞 |
| TCMH1186 | Lycium chinense | Gou Qi Zi | 枸杞子 |
| TCMH122 | Lobelia chinensis | Ban Bian Lian | 半边莲 |
Showing 1 to 10 of 90 entries
Ingredient ID: TCMC548
Formula: C28H34O15
Ingredient ID: TCMC548
| Common Name | 5-Hydroxy-2-(3-Hydroxy-4-Methoxyphenyl)-7-[3,4,5-Trihydroxy-6-[(3,4,5-Trihydroxy-6-Methyloxan-2-Yl)Oxymethyl]Oxan-2-Yl]Oxy-2,3-Dihydrochromen-4-One |
| IUPAC Name | 5-hydroxy-2-(3-hydroxy-4-methoxyphenyl)-7-[3,4,5-trihydroxy-6-[(3,4,5-trihydroxy-6-methyloxan-2-yl)oxymethyl]oxan-2-yl]oxy-2,3-dihydrochromen-4-one |
| Canonical SMILES | COc1ccc(cc1O)C1CC(=O)c2c(O1)cc(cc2O)OC1OC(COC2OC(C)C(C(C2O)O)O)C(C(C1O)O)O |
| Standard InCHI | InChI=1S/C28H34O15/c1-10-21(32)23(34)25(36)27(40-10)39-9-19-22(33)24(35)26(37)28(43-19)41-12-6-14(30)20-15(31)8-17(42-18(20)7-12)11-3-4-16(38-2)13(29)5-11/h3-7,10,17,19,21-30,32-37H,8-9H2,1-2H3 |
| Standard InCHIKey | QUQPHWDTPGMPEX-UHFFFAOYSA-N |
| External Identifiers | ChEMBL [CHEMBL1535112]; PubChem [3594]; |
| Reference of Component-Ingredient Pair | N/A |
Occurrence of the ingredient across TCM components
| Component ID | Latin Name | Pinyin Name | Chinese Name |
|---|---|---|---|
| TCMH1141 | Schizonepeta tenuifolia | Jing Jie | 荆芥 |
| TCMH1178 | Citrus reticulata | Ju He | 橘核 |
| TCMH1184 | Citrus reticulata | Ju Pi | 橘皮 |
| TCMH122 | Lobelia chinensis | Ban Bian Lian | 半边莲 |
| TCMH1272 | Forsythia suspensa | Lian Qiao | 连翘 |
| TCMH132 | Scutellaria barbata | Ban Zhi Lian | 半枝莲 |
| TCMH1396 | Portulaca oleracea | Ma Chi Xian | 马齿苋 |
| TCMH1632 | Taraxacum mongolicum | Pu Gong Ying | 蒲公英 |
| TCMH1633 | Taraxacum mongolicum | Pu Gong Ying Jin Gao | 蒲公英浸膏 |
| TCMH1965 | Rheum palmatum | Shu Da Huang | 熟大黄 |
Showing 1 to 10 of 34 entries
Ingredient ID: TCMC526
Formula: C21H20O11
Ingredient ID: TCMC526
| Common Name | 5,7-Dihydroxy-2-(4-Hydroxyphenyl)-3-[(2R,3S,4R,5R,6S)-3,4,5-Trihydroxy-6-(Hydroxymethyl)Oxan-2-Yl]Oxychromen-4-One |
| IUPAC Name | 5,7-dihydroxy-2-(4-hydroxyphenyl)-3-[(2R,3S,4R,5R,6S)-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+/m0/s1 |
| Standard InCHIKey | JPUKWEQWGBDDQB-LQSBFMDOSA-N |
| External Identifiers | ChEMBL [CHEMBL1572115]; PubChem [9911508]; |
| Reference of Component-Ingredient Pair | N/A |
Occurrence of the ingredient across TCM components
| Component ID | Latin Name | Pinyin Name | Chinese Name |
|---|---|---|---|
| TCMH1681 | Artemisia carvifolia | Qing Hao | 青蒿 |
| TCMH1682 | Artemisia carvifolia | Qing Hao Zi | 青蒿子 |
| TCMH2017 | Artemisia lactiflora | Si Ji Cai | 四季菜 |
| TCMH2362 | Artemisia lactiflora | Ya Jiao Ai | 鸭脚艾 |
| TCMH281 | Dipsacus asper | Chuan Duan | 川断 |
| TCMH426 | Codonopsis pilosula | Dang Shen | 党参 |
| TCMH428 | Codonopsis pilosula | Dang Shen Qing Gao | 党参清膏 |
Showing 1 to 7 of 7 entries
Ingredient ID: TCMC5043
Formula: C8H16O6
Ingredient ID: TCMC5043
| Common Name | Ethyl-Α-D-Fructoside |
| IUPAC Name | (2R,3S,4R,5R)-2-ethoxy-2-(hydroxymethyl)oxane-3,4,5-triol |
| Canonical SMILES | CCO[C@]1(CO)OC[C@H]([C@H]([C@@H]1O)O)O |
| Standard InCHI | InChI=1S/C8H16O6/c1-2-13-8(4-9)7(12)6(11)5(10)3-14-8/h5-7,9-12H,2-4H2,1H3/t5-,6-,7+,8-/m1/s1 |
| Standard InCHIKey | SNKSMYJJYVZUMV-OOJXKGFFSA-N |
| External Identifiers | ChEMBL [N/A]; PubChem [6325163]; |
| Reference of Component-Ingredient Pair | N/A |
Occurrence of the ingredient across TCM components
Ingredient ID: TCMC4811
Formula: C9H14O2
Ingredient ID: TCMC4811
| Common Name | 2,4-Nonadienic Acid |
| IUPAC Name | (2E,4E)-nona-2,4-dienoic acid |
| Canonical SMILES | CCCC/C=C/C=C/C(=O)[O-] |
| Standard InCHI | InChI=1S/C9H14O2/c1-2-3-4-5-6-7-8-9(10)11/h5-8H,2-4H2,1H3,(H,10,11)/p-1/b6-5+,8-7+ |
| Standard InCHIKey | YAWXLPDXHPHGPX-BSWSSELBSA-M |
| External Identifiers | ChEMBL [N/A]; PubChem [5320190]; |
| Reference of Component-Ingredient Pair | N/A |
Occurrence of the ingredient across TCM components
Ingredient ID: TCMC4456
Formula: C6H12N2O3
Ingredient ID: TCMC4456
| Common Name | N-Butyl Allophanate |
| IUPAC Name | butyl N-carbamoylcarbamate |
| Canonical SMILES | CCCCOC(=O)NC(=O)N |
| Standard InCHI | InChI=1S/C6H12N2O3/c1-2-3-4-11-6(10)8-5(7)9/h2-4H2,1H3,(H3,7,8,9,10) |
| Standard InCHIKey | RNXRXBFLIGLDTC-UHFFFAOYSA-N |
| External Identifiers | ChEMBL [N/A]; PubChem [5315565]; |
| Reference of Component-Ingredient Pair | N/A |
Occurrence of the ingredient across TCM components
Ingredient ID: TCMC4406
Formula: C9H14O
Ingredient ID: TCMC4406
| Common Name | Nonadienal |
| IUPAC Name | (2E,4E)-nona-2,4-dienal |
| Canonical SMILES | CCCC/C=C/C=C/C=O |
| Standard InCHI | InChI=1S/C9H14O/c1-2-3-4-5-6-7-8-9-10/h5-9H,2-4H2,1H3/b6-5+,8-7+ |
| Standard InCHIKey | ZHHYXNZJDGDGPJ-BSWSSELBSA-N |
| External Identifiers | ChEMBL [N/A]; PubChem [5283339]; |
| Reference of Component-Ingredient Pair | 18415084 |
Occurrence of the ingredient across TCM components
Ingredient ID: TCMC4325
Formula: C29H48O
Ingredient ID: TCMC4325
| Common Name | Α-Spinasterol |
| IUPAC Name | (3S,5S,9R,10S,13R,14R,17R)-17-[(E,2R,5S)-5-ethyl-6-methylhept-3-en-2-yl]-10,13-dimethyl-2,3,4,5,6,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-ol |
| Canonical SMILES | CC[C@@H](C(C)C)/C=C/[C@H]([C@H]1CC[C@@H]2[C@]1(C)CC[C@H]1C2=CC[C@@H]2[C@]1(C)CC[C@@H](C2)O)C |
| Standard InCHI | InChI=1S/C29H48O/c1-7-21(19(2)3)9-8-20(4)25-12-13-26-24-11-10-22-18-23(30)14-16-28(22,5)27(24)15-17-29(25,26)6/h8-9,11,19-23,25-27,30H,7,10,12-18H2,1-6H3/b9-8+/t20-,21-,22+,23+,25-,26+,27+,28+,29-/m1/s1 |
| Standard InCHIKey | JZVFJDZBLUFKCA-FXIAWGAOSA-N |
| External Identifiers | ChEMBL [N/A]; PubChem [5281331]; |
| Reference of Component-Ingredient Pair | 25757602 |
Occurrence of the ingredient across TCM components
| Component ID | Latin Name | Pinyin Name | Chinese Name |
|---|---|---|---|
| TCMH101 | Chelidonium majus | Bai Qu Cai | 白屈菜 |
| TCMH1080 | Platycodon grandiflorum | Jie Geng | 桔梗 |
| TCMH1588 | Achyranthes bidentata | Niu Xi | 牛膝 |
| TCMH2016 | Retinervus luffae fructus | Si Gua Luo | 丝瓜络 |
| TCMH228 | Bupleurum chinense | Chai Hu | 柴胡 |
| TCMH2725 | Fructus perillae | Zi Su Zi | 紫苏子 |
| TCMH426 | Codonopsis pilosula | Dang Shen | 党参 |
| TCMH705 | Trichosanthes kirilowii | Gua Lou | 瓜蒌 |
Showing 1 to 8 of 8 entries
Ingredient ID: TCMC4324
Formula: C29H48O
Ingredient ID: TCMC4324
| Common Name | Stigmasterol |
| IUPAC Name | (3S,8S,9S,10R,13R,14S,17R)-17-[(E,2R,5R)-5-ethyl-6-methylhept-3-en-2-yl]-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-ol |
| Canonical SMILES | CC[C@H](C(C)C)/C=C/[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 |
| Standard InCHI | InChI=1S/C29H48O/c1-7-21(19(2)3)9-8-20(4)25-12-13-26-24-11-10-22-18-23(30)14-16-28(22,5)27(24)15-17-29(25,26)6/h8-10,19-21,23-27,30H,7,11-18H2,1-6H3/b9-8+/t20-,21+,23+,24+,25-,26+,27+,28+,29-/m1/s1 |
| Standard InCHIKey | HCXVJBMSMIARIN-KEJCWXRGSA-N |
| External Identifiers | ChEMBL [CHEMBL400247]; PubChem [5281330]; |
| Reference of Component-Ingredient Pair | 24242815 |
Occurrence of the ingredient across TCM components
| Component ID | Latin Name | Pinyin Name | Chinese Name |
|---|---|---|---|
| TCMH1127 | Lonicera japonica | Jin Yin Hua | 金银花 |
| TCMH1186 | Lycium chinense | Gou Qi Zi | 枸杞子 |
| TCMH12 | Artemisia argyi | Ai Ye | 艾叶 |
| TCMH1376 | Trachelospermum jasminoides | Luo Shi Teng | 络石藤 |
| TCMH1423 | Ophiopogon japonicus | Mai Dong | 麦冬 |
| TCMH1499 | Changium smyrnioides | Ming Dang Shen | 明党参 |
| TCMH1531 | Akebia quinata | Mu Tong | 木通 |
| TCMH1533 | Saussurea lappa | Mu Xiang | 木香 |
| TCMH1680 | Sinomenium acutum | Qing Feng Teng | 青风藤 |
| TCMH1721 | Panax ginseng | Ren Shen | 人参 |
Showing 1 to 10 of 37 entries
Ingredient ID: TCMC4040
Formula: C13H12O3
Ingredient ID: TCMC4040
| Common Name | O-(O-Methoxyphenoxy)Phenol |
| IUPAC Name | 2-(2-methoxyphenoxy)phenol |
| Canonical SMILES | COc1ccccc1Oc1ccccc1O |
| Standard InCHI | InChI=1S/C13H12O3/c1-15-12-8-4-5-9-13(12)16-11-7-3-2-6-10(11)14/h2-9,14H,1H3 |
| Standard InCHIKey | OHMCFTVLHBWELH-UHFFFAOYSA-N |
| External Identifiers | ChEMBL [N/A]; PubChem [572803]; |
| Reference of Component-Ingredient Pair | N/A |
Occurrence of the ingredient across TCM components
Ingredient ID: TCMC3957
Formula: C5H10O5
Ingredient ID: TCMC3957
| Common Name | Ribose |
| IUPAC Name | (2R,3R,4S,5R)-5-(hydroxymethyl)oxolane-2,3,4-triol |
| Canonical SMILES | OC[C@H]1O[C@H]([C@@H]([C@@H]1O)O)O |
| Standard InCHI | InChI=1S/C5H10O5/c6-1-2-3(7)4(8)5(9)10-2/h2-9H,1H2/t2-,3-,4-,5-/m1/s1 |
| Standard InCHIKey | HMFHBZSHGGEWLO-TXICZTDVSA-N |
| External Identifiers | ChEMBL [N/A]; PubChem [447347]; |
| Reference of Component-Ingredient Pair | 11722207 |
Occurrence of the ingredient across TCM components
Ingredient ID: TCMC3884
Formula: C15H22
Ingredient ID: TCMC3884
| Common Name | Α-Curcumene,Α-Curcumene(R-) |
| IUPAC Name | 1-methyl-4-[(2R)-6-methylhept-5-en-2-yl]benzene |
| Canonical SMILES | CC(=CCC[C@H](c1ccc(cc1)C)C)C |
| Standard InCHI | InChI=1S/C15H22/c1-12(2)6-5-7-14(4)15-10-8-13(3)9-11-15/h6,8-11,14H,5,7H2,1-4H3/t14-/m1/s1 |
| Standard InCHIKey | VMYXUZSZMNBRCN-CQSZACIVSA-N |
| External Identifiers | ChEMBL [CHEMBL469717]; PubChem [442360]; |
| Reference of Component-Ingredient Pair | 15330612 |
Occurrence of the ingredient across TCM components
| Component ID | Latin Name | Pinyin Name | Chinese Name |
|---|---|---|---|
| TCMH12 | Artemisia argyi | Ai Ye | 艾叶 |
| TCMH120 | Atractylodes macrocephala | Bai Zhu | 白术 |
| TCMH1862 | Cornus officinalis | Shan Zhu Yu | 山茱萸 |
| TCMH1903 | Zingiber officinale | Sheng Jiang | 生姜 |
| TCMH2241 | Panax quinquefolium | Xi Yang Shen | 西洋参 |
| TCMH426 | Codonopsis pilosula | Dang Shen | 党参 |
Showing 1 to 6 of 6 entries
Ingredient ID: TCMC3825
Formula: C10H16
Ingredient ID: TCMC3825
| Common Name | Α-Pinene |
| IUPAC Name | (1S,5S)-2,6,6-trimethylbicyclo[3.1.1]hept-2-ene |
| Canonical SMILES | CC1=CC[C@H]2C[C@@H]1C2(C)C |
| Standard InCHI | InChI=1S/C10H16/c1-7-4-5-8-6-9(7)10(8,2)3/h4,8-9H,5-6H2,1-3H3/t8-,9-/m0/s1 |
| Standard InCHIKey | GRWFGVWFFZKLTI-IUCAKERBSA-N |
| External Identifiers | ChEMBL [CHEMBL3109297]; PubChem [440968]; |
| Reference of Component-Ingredient Pair | 19067113 |
Occurrence of the ingredient across TCM components
| Component ID | Latin Name | Pinyin Name | Chinese Name |
|---|---|---|---|
| TCMH1127 | Lonicera japonica | Jin Yin Hua | 金银花 |
| TCMH1141 | Schizonepeta tenuifolia | Jing Jie | 荆芥 |
| TCMH1165 | Murraya paniculata | Jiu Li Xiang | 九里香 |
| TCMH1272 | Forsythia suspensa | Lian Qiao | 连翘 |
| TCMH1397 | Aristolochia debilis | Ma Dou Ling | 马兜铃 |
| TCMH1617 | Eriobotrya japonica thunb | Pi Pa Ye | 枇杷叶 |
| TCMH1665 | Notopterygium incisum | Qiang Huo | 羌活 |
| TCMH1695 | Pericarpium citri reticulatae viride | Qing Pi | 青皮 |
| TCMH1741 | Myristica fragrans | Rou Dou Kou | 肉豆蔻 |
| TCMH188 | Mentha haplocalyx | Bo He | 薄荷 |
Showing 1 to 10 of 19 entries
Ingredient ID: TCMC3814
Formula: C6H12O5
Ingredient ID: TCMC3814
| Common Name | Rhamnose |
| IUPAC Name | (2R,3R,4R,5R,6S)-6-methyloxane-2,3,4,5-tetrol |
| Canonical SMILES | O[C@H]1[C@H](C)O[C@H]([C@@H]([C@@H]1O)O)O |
| Standard InCHI | InChI=1S/C6H12O5/c1-2-3(7)4(8)5(9)6(10)11-2/h2-10H,1H3/t2-,3-,4+,5+,6+/m0/s1 |
| Standard InCHIKey | SHZGCJCMOBCMKK-HGVZOGFYSA-N |
| External Identifiers | ChEMBL [N/A]; PubChem [439710]; |
| Reference of Component-Ingredient Pair | 23836132 |
Occurrence of the ingredient across TCM components
Ingredient ID: TCMC3797
Formula: C6H7NO2
Ingredient ID: TCMC3797
| Common Name | 5-Hydroxy-2-Pyridinemethanol |
| IUPAC Name | 6-(hydroxymethyl)pyridin-3-ol |
| Canonical SMILES | OCc1ccc(cn1)O |
| Standard InCHI | InChI=1S/C6H7NO2/c8-4-5-1-2-6(9)3-7-5/h1-3,8-9H,4H2 |
| Standard InCHIKey | NESFDGDRYVANBC-UHFFFAOYSA-N |
| External Identifiers | ChEMBL [CHEMBL1917284]; PubChem [419490]; |
| Reference of Component-Ingredient Pair | N/A |
Occurrence of the ingredient across TCM components
Ingredient ID: TCMC3695
Formula: C6H12O6
Ingredient ID: TCMC3695
| Common Name | Mannose |
| IUPAC Name | (2S,3S,4S,5S,6R)-6-(hydroxymethyl)oxane-2,3,4,5-tetrol |
| Canonical SMILES | OC[C@H]1O[C@H](O)[C@H]([C@H]([C@@H]1O)O)O |
| Standard InCHI | InChI=1S/C6H12O6/c7-1-2-3(8)4(9)5(10)6(11)12-2/h2-11H,1H2/t2-,3-,4+,5+,6+/m1/s1 |
| Standard InCHIKey | WQZGKKKJIJFFOK-PQMKYFCFSA-N |
| External Identifiers | ChEMBL [CHEMBL365590]; PubChem [185698]; |
| Reference of Component-Ingredient Pair | 22771955 |
Occurrence of the ingredient across TCM components
Ingredient ID: TCMC3676
Formula: C12H24O6
Ingredient ID: TCMC3676
| Common Name | N-Hexyl-Β-D-Glucopyranoside |
| IUPAC Name | (2R,3R,4S,5S,6R)-2-hexoxy-6-(hydroxymethyl)oxane-3,4,5-triol |
| Canonical SMILES | CCCCCCO[C@@H]1O[C@H](CO)[C@H]([C@@H]([C@H]1O)O)O |
| Standard InCHI | InChI=1S/C12H24O6/c1-2-3-4-5-6-17-12-11(16)10(15)9(14)8(7-13)18-12/h8-16H,2-7H2,1H3/t8-,9-,10+,11-,12-/m1/s1 |
| Standard InCHIKey | JVAZJLFFSJARQM-RMPHRYRLSA-N |
| External Identifiers | ChEMBL [N/A]; PubChem [181215]; |
| Reference of Component-Ingredient Pair | 18545936 |
Occurrence of the ingredient across TCM components
Ingredient ID: TCMC3668
Formula: C5H5NO3
Ingredient ID: TCMC3668
| Common Name | Codopiloic Acid |
| IUPAC Name | 2H-1,4-oxazine-3-carboxylic acid |
| Canonical SMILES | [O-]C(=O)C1=NC=COC1 |
| Standard InCHI | InChI=1S/C5H5NO3/c7-5(8)4-3-9-2-1-6-4/h1-2H,3H2,(H,7,8)/p-1 |
| Standard InCHIKey | SYTGUXGLBXTALU-UHFFFAOYSA-M |
| External Identifiers | ChEMBL [N/A]; PubChem [178371]; |
| Reference of Component-Ingredient Pair | US7994336 |
Occurrence of the ingredient across TCM components
Ingredient ID: TCMC3572
Formula: C16H12N2O2
Ingredient ID: TCMC3572
| Common Name | Perlolyrine |
| IUPAC Name | [5-(9H-pyrido[3,4-b]indol-1-yl)furan-2-yl]methanol |
| Canonical SMILES | OCc1ccc(o1)c1nccc2c1[nH]c1c2cccc1 |
| Standard InCHI | InChI=1S/C16H12N2O2/c19-9-10-5-6-14(20-10)16-15-12(7-8-17-16)11-3-1-2-4-13(11)18-15/h1-8,18-19H,9H2 |
| Standard InCHIKey | KFUCYPGCMLPUMT-UHFFFAOYSA-N |
| External Identifiers | ChEMBL [CHEMBL501991]; PubChem [160179]; |
| Reference of Component-Ingredient Pair | 16868728 |
Occurrence of the ingredient across TCM components
Ingredient ID: TCMC3541
Formula: C15H20O3
Ingredient ID: TCMC3541
| Common Name | Atractylenolide III |
| IUPAC Name | (4aS,8aR,9aS)-9a-hydroxy-3,8a-dimethyl-5-methylidene-4,4a,6,7,8,9-hexahydrobenzo[f][1]benzofuran-2-one |
| Canonical SMILES | C=C1CCC[C@]2([C@H]1CC1=C(C)C(=O)O[C@]1(C2)O)C |
| Standard InCHI | InChI=1S/C15H20O3/c1-9-5-4-6-14(3)8-15(17)12(7-11(9)14)10(2)13(16)18-15/h11,17H,1,4-8H2,2-3H3/t11-,14+,15-/m0/s1 |
| Standard InCHIKey | FBMORZZOJSDNRQ-GLQYFDAESA-N |
| External Identifiers | ChEMBL [CHEMBL486961]; PubChem [155948]; |
| Reference of Component-Ingredient Pair | 28952260 |
Occurrence of the ingredient across TCM components
Ingredient ID: TCMC34
Formula: C10H14N2
Ingredient ID: TCMC34
| Common Name | (+/-)Nicotine |
| IUPAC Name | 3-(1-methylpyrrolidin-2-yl)pyridine |
| Canonical SMILES | CN1CCCC1c1cccnc1 |
| Standard InCHI | InChI=1S/C10H14N2/c1-12-7-3-5-10(12)9-4-2-6-11-8-9/h2,4,6,8,10H,3,5,7H2,1H3 |
| Standard InCHIKey | SNICXCGAKADSCV-UHFFFAOYSA-N |
| External Identifiers | ChEMBL [CHEMBL440464]; PubChem [942]; |
| Reference of Component-Ingredient Pair | N/A |
Occurrence of the ingredient across TCM components
| Component ID | Latin Name | Pinyin Name | Chinese Name |
|---|---|---|---|
| TCMH1503 | Eclipta prostrata | Mo Han Lian | 墨旱莲 |
| TCMH1535 | Equisetum hiemale | Mu Zei | 木贼 |
| TCMH1734 | Homo sapiens | Ren Zhong Bai | 人中白 |
| TCMH182 | Areca catechu | Bing Lang | 槟榔 |
| TCMH2710 | Homo sapiens | Zi He Che | 紫河车 |
| TCMH358 | Areca catechu | Da Fu Zi | 大腹子 |
| TCMH426 | Codonopsis pilosula | Dang Shen | 党参 |
| TCMH428 | Codonopsis pilosula | Dang Shen Qing Gao | 党参清膏 |
| TCMH64 | Piper nigrum | Bai Hu Jiao | 白胡椒 |
| TCMH839 | Piper nigrum | Hei Hu Jiao | 黑胡椒 |
Showing 1 to 10 of 11 entries
Ingredient ID: TCMC3344
Formula: C15H24
Ingredient ID: TCMC3344
| Common Name | Δ-Guaiene |
| IUPAC Name | (3S,3aS,5R)-3,8-dimethyl-5-prop-1-en-2-yl-1,2,3,3a,4,5,6,7-octahydroazulene |
| Canonical SMILES | CC(=C)[C@@H]1CCC(=C2[C@@H](C1)[C@@H](C)CC2)C |
| Standard InCHI | InChI=1S/C15H24/c1-10(2)13-7-5-11(3)14-8-6-12(4)15(14)9-13/h12-13,15H,1,5-9H2,2-4H3/t12-,13+,15-/m0/s1 |
| Standard InCHIKey | YHAJBLWYOIUHHM-GUTXKFCHSA-N |
| External Identifiers | ChEMBL [N/A]; PubChem [94275]; |
| Reference of Component-Ingredient Pair | 28701650 |
Occurrence of the ingredient across TCM components
Ingredient ID: TCMC3343
Formula: C32H52O2
Ingredient ID: TCMC3343
| Common Name | Taraxeryl Acetate |
| IUPAC Name | [(3S,4aR,6aR,6aS,8aR,12aR,14aR,14bR)-4,4,6a,6a,8a,11,11,14b-octamethyl-1,2,3,4a,5,6,8,9,10,12,12a,13,14,14a-tetradecahydropicen-3-yl] acetate |
| Canonical SMILES | CC(=O)O[C@H]1CC[C@]2([C@H](C1(C)C)CC[C@@]1([C@@H]2CC[C@@]2(C1=CC[C@@]1([C@H]2CC(C)(C)CC1)C)C)C)C |
| Standard InCHI | InChI=1S/C32H52O2/c1-21(33)34-26-13-17-30(7)22(28(26,4)5)11-15-31(8)23-10-14-29(6)19-18-27(2,3)20-25(29)32(23,9)16-12-24(30)31/h10,22,24-26H,11-20H2,1-9H3/t22-,24+,25+,26-,29-,30-,31-,32+/m0/s1 |
| Standard InCHIKey | YWJGYBXHXATAQY-BOTWUFHUSA-N |
| External Identifiers | ChEMBL [N/A]; PubChem [94225]; |
| Reference of Component-Ingredient Pair | 27081915 |
Occurrence of the ingredient across TCM components
Ingredient ID: TCMC3259
Formula: C7H8O3
Ingredient ID: TCMC3259
| Common Name | 5-Methoxymethyl Furfural |
| IUPAC Name | 5-(methoxymethyl)furan-2-carbaldehyde |
| Canonical SMILES | COCc1ccc(o1)C=O |
| Standard InCHI | InChI=1S/C7H8O3/c1-9-5-7-3-2-6(4-8)10-7/h2-4H,5H2,1H3 |
| Standard InCHIKey | ASHVULSQMDWKFO-UHFFFAOYSA-N |
| External Identifiers | ChEMBL [N/A]; PubChem [74711]; |
| Reference of Component-Ingredient Pair | N/A |
Occurrence of the ingredient across TCM components
Ingredient ID: TCMC3166
Formula: C15H30O2
Ingredient ID: TCMC3166
| Common Name | Methyl Myristate |
| IUPAC Name | methyl tetradecanoate |
| Canonical SMILES | CCCCCCCCCCCCCC(=O)OC |
| Standard InCHI | InChI=1S/C15H30O2/c1-3-4-5-6-7-8-9-10-11-12-13-14-15(16)17-2/h3-14H2,1-2H3 |
| Standard InCHIKey | ZAZKJZBWRNNLDS-UHFFFAOYSA-N |
| External Identifiers | ChEMBL [CHEMBL207549]; PubChem [31284]; |
| Reference of Component-Ingredient Pair | 20234969 |
Occurrence of the ingredient across TCM components
Ingredient ID: TCMC3148
Formula: C6H12O6
Ingredient ID: TCMC3148
| Common Name | Fructose |
| IUPAC Name | (2R,3S,4R,5R)-2-(hydroxymethyl)oxane-2,3,4,5-tetrol |
| Canonical SMILES | OC[C@@]1(O)OC[C@H]([C@H]([C@@H]1O)O)O |
| Standard InCHI | InChI=1S/C6H12O6/c7-2-6(11)5(10)4(9)3(8)1-12-6/h3-5,7-11H,1-2H2/t3-,4-,5+,6-/m1/s1 |
| Standard InCHIKey | LKDRXBCSQODPBY-ARQDHWQXSA-N |
| External Identifiers | ChEMBL [N/A]; PubChem [24310]; |
| Reference of Component-Ingredient Pair | 26520834 |
Occurrence of the ingredient across TCM components
Ingredient ID: TCMC3145
Formula: C16H32O2
Ingredient ID: TCMC3145
| Common Name | Methyl Pentadecanoate |
| IUPAC Name | methyl pentadecanoate |
| Canonical SMILES | CCCCCCCCCCCCCCC(=O)OC |
| Standard InCHI | InChI=1S/C16H32O2/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16(17)18-2/h3-15H2,1-2H3 |
| Standard InCHIKey | XIUXKAZJZFLLDQ-UHFFFAOYSA-N |
| External Identifiers | ChEMBL [CHEMBL1900809]; PubChem [23518]; |
| Reference of Component-Ingredient Pair | 22254108 |
Occurrence of the ingredient across TCM components
Ingredient ID: TCMC3114
Formula: C21H42O2
Ingredient ID: TCMC3114
| Common Name | Heneicosanoic Acid |
| IUPAC Name | henicosanoic acid |
| Canonical SMILES | CCCCCCCCCCCCCCCCCCCCC(=O)[O-] |
| Standard InCHI | InChI=1S/C21H42O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21(22)23/h2-20H2,1H3,(H,22,23)/p-1 |
| Standard InCHIKey | CKDDRHZIAZRDBW-UHFFFAOYSA-M |
| External Identifiers | ChEMBL [CHEMBL1172909]; PubChem [16898]; |
| Reference of Component-Ingredient Pair | 22174787 |
Occurrence of the ingredient across TCM components
Ingredient ID: TCMC3088
Formula: C15H30O2
Ingredient ID: TCMC3088
| Common Name | Pentadecanoic Acid |
| IUPAC Name | pentadecanoic acid |
| Canonical SMILES | CCCCCCCCCCCCCCC(=O)[O-] |
| Standard InCHI | InChI=1S/C15H30O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15(16)17/h2-14H2,1H3,(H,16,17)/p-1 |
| Standard InCHIKey | WQEPLUUGTLDZJY-UHFFFAOYSA-M |
| External Identifiers | ChEMBL [CHEMBL460025]; PubChem [13849]; |
| Reference of Component-Ingredient Pair | 29968805 |
Occurrence of the ingredient across TCM components
| Component ID | Latin Name | Pinyin Name | Chinese Name |
|---|---|---|---|
| TCMH1343 | Aloe vera | Lu Hui | 芦荟 |
| TCMH1397 | Aristolochia debilis | Ma Dou Ling | 马兜铃 |
| TCMH2295 | fructus foeniculi | Xiao Hui Xiang | 小茴香 |
| TCMH426 | Codonopsis pilosula | Dang Shen | 党参 |
| TCMH699 | Eriocaulon buergerianum | Gu Jing Cao | 谷精草 |
| TCMH797 | Sargassum | Hai Zao | 海藻 |
| TCMH877 | Radix ginseng rubra | Hong Shen | 红参 |
| TCMH925 | Exocarpium citri grandis | Hua Ju Hong | 化橘红 |
Showing 1 to 8 of 8 entries
Ingredient ID: TCMC3064
Formula: C22H46
Ingredient ID: TCMC3064
| Common Name | Docosane |
| IUPAC Name | docosane |
| Canonical SMILES | CCCCCCCCCCCCCCCCCCCCCC |
| Standard InCHI | InChI=1S/C22H46/c1-3-5-7-9-11-13-15-17-19-21-22-20-18-16-14-12-10-8-6-4-2/h3-22H2,1-2H3 |
| Standard InCHIKey | HOWGUJZVBDQJKV-UHFFFAOYSA-N |
| External Identifiers | ChEMBL [N/A]; PubChem [12405]; |
| Reference of Component-Ingredient Pair | 22441199 |
Occurrence of the ingredient across TCM components
Ingredient ID: TCMC3062
Formula: C21H44
Ingredient ID: TCMC3062
| Common Name | Heneicosane |
| IUPAC Name | henicosane |
| Canonical SMILES | CCCCCCCCCCCCCCCCCCCCC |
| Standard InCHI | InChI=1S/C21H44/c1-3-5-7-9-11-13-15-17-19-21-20-18-16-14-12-10-8-6-4-2/h3-21H2,1-2H3 |
| Standard InCHIKey | FNAZRRHPUDJQCJ-UHFFFAOYSA-N |
| External Identifiers | ChEMBL [N/A]; PubChem [12403]; |
| Reference of Component-Ingredient Pair | 21601302 |
Occurrence of the ingredient across TCM components
Ingredient ID: TCMC3061
Formula: C19H40
Ingredient ID: TCMC3061
| Common Name | Nonadecane |
| IUPAC Name | nonadecane |
| Canonical SMILES | CCCCCCCCCCCCCCCCCCC |
| Standard InCHI | InChI=1S/C19H40/c1-3-5-7-9-11-13-15-17-19-18-16-14-12-10-8-6-4-2/h3-19H2,1-2H3 |
| Standard InCHIKey | LQERIDTXQFOHKA-UHFFFAOYSA-N |
| External Identifiers | ChEMBL [N/A]; PubChem [12401]; |
| Reference of Component-Ingredient Pair | 22573108 |
Occurrence of the ingredient across TCM components
Ingredient ID: TCMC3060
Formula: C17H36
Ingredient ID: TCMC3060
| Common Name | Heptadecane |
| IUPAC Name | heptadecane |
| Canonical SMILES | CCCCCCCCCCCCCCCCC |
| Standard InCHI | InChI=1S/C17H36/c1-3-5-7-9-11-13-15-17-16-14-12-10-8-6-4-2/h3-17H2,1-2H3 |
| Standard InCHIKey | NDJKXXJCMXVBJW-UHFFFAOYSA-N |
| External Identifiers | ChEMBL [CHEMBL3185332]; PubChem [12398]; |
| Reference of Component-Ingredient Pair | 22301356 |
Occurrence of the ingredient across TCM components
Ingredient ID: TCMC3058
Formula: C15H32
Ingredient ID: TCMC3058
| Common Name | Pentadecane |
| IUPAC Name | pentadecane |
| Canonical SMILES | CCCCCCCCCCCCCCC |
| Standard InCHI | InChI=1S/C15H32/c1-3-5-7-9-11-13-15-14-12-10-8-6-4-2/h3-15H2,1-2H3 |
| Standard InCHIKey | YCOZIPAWZNQLMR-UHFFFAOYSA-N |
| External Identifiers | ChEMBL [CHEMBL1234557]; PubChem [12391]; |
| Reference of Component-Ingredient Pair | 22836827 |
Occurrence of the ingredient across TCM components
| Component ID | Latin Name | Pinyin Name | Chinese Name |
|---|---|---|---|
| TCMH1219 | Semen armeniacae amarum | Ku Xing Ren | 苦杏仁 |
| TCMH1721 | Panax ginseng | Ren Shen | 人参 |
| TCMH1768 | Panax notoginseng | San Qi | 三七 |
| TCMH1835 | Kaempferia galanga | Shan Nai | 山柰 |
| TCMH2239 | Asarum sieboldii | Xi Xin | 细辛 |
| TCMH426 | Codonopsis pilosula | Dang Shen | 党参 |
Showing 1 to 6 of 6 entries
Ingredient ID: TCMC3053
Formula: C18H36O2
Ingredient ID: TCMC3053
| Common Name | Ethyl Palmitate |
| IUPAC Name | ethyl hexadecanoate |
| Canonical SMILES | CCCCCCCCCCCCCCCC(=O)OCC |
| Standard InCHI | InChI=1S/C18H36O2/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20-4-2/h3-17H2,1-2H3 |
| Standard InCHIKey | XIRNKXNNONJFQO-UHFFFAOYSA-N |
| External Identifiers | ChEMBL [CHEMBL3561042]; PubChem [12366]; |
| Reference of Component-Ingredient Pair | 22136358 |
Occurrence of the ingredient across TCM components
| Component ID | Latin Name | Pinyin Name | Chinese Name |
|---|---|---|---|
| TCMH1127 | Lonicera japonica | Jin Yin Hua | 金银花 |
| TCMH12 | Artemisia argyi | Ai Ye | 艾叶 |
| TCMH130 | Pinellia ternata | Ban Xia | 半夏 |
| TCMH1768 | Panax notoginseng | San Qi | 三七 |
| TCMH1797 | Morus alba | Sang Ye | 桑叶 |
| TCMH1862 | Cornus officinalis | Shan Zhu Yu | 山茱萸 |
| TCMH1864 | Phytolacca esculenta | Shang Lu | 商陆 |
| TCMH305 | Cnidium officinale | Chuan Xiong | 川芎 |
| TCMH426 | Codonopsis pilosula | Dang Shen | 党参 |
Showing 1 to 9 of 9 entries
Ingredient ID: TCMC3044
Formula: C18H38
Ingredient ID: TCMC3044
| Common Name | N-Octadecane |
| IUPAC Name | octadecane |
| Canonical SMILES | CCCCCCCCCCCCCCCCCC |
| Standard InCHI | InChI=1S/C18H38/c1-3-5-7-9-11-13-15-17-18-16-14-12-10-8-6-4-2/h3-18H2,1-2H3 |
| Standard InCHIKey | RZJRJXONCZWCBN-UHFFFAOYSA-N |
| External Identifiers | ChEMBL [N/A]; PubChem [11635]; |
| Reference of Component-Ingredient Pair | 22840226 |
Occurrence of the ingredient across TCM components
Ingredient ID: TCMC3006
Formula: C17H34O2
Ingredient ID: TCMC3006
| Common Name | Daturic Acid,Heptadecanoic Acid,Margaric Acid |
| IUPAC Name | heptadecanoic acid |
| Canonical SMILES | CCCCCCCCCCCCCCCCC(=O)[O-] |
| Standard InCHI | InChI=1S/C17H34O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17(18)19/h2-16H2,1H3,(H,18,19)/p-1 |
| Standard InCHIKey | KEMQGTRYUADPNZ-UHFFFAOYSA-M |
| External Identifiers | ChEMBL [CHEMBL1172910]; PubChem [10465]; |
| Reference of Component-Ingredient Pair | 29968805 |
Occurrence of the ingredient across TCM components
| Component ID | Latin Name | Pinyin Name | Chinese Name |
|---|---|---|---|
| TCMH1219 | Semen armeniacae amarum | Ku Xing Ren | 苦杏仁 |
| TCMH1343 | Aloe vera | Lu Hui | 芦荟 |
| TCMH2241 | Panax quinquefolium | Xi Yang Shen | 西洋参 |
| TCMH2725 | Fructus perillae | Zi Su Zi | 紫苏子 |
| TCMH426 | Codonopsis pilosula | Dang Shen | 党参 |
| TCMH797 | Sargassum | Hai Zao | 海藻 |
| TCMH877 | Radix ginseng rubra | Hong Shen | 红参 |
Showing 1 to 7 of 7 entries
Ingredient ID: TCMC2975
Formula: C9H10O4
Ingredient ID: TCMC2975
| Common Name | Syringaldehyde |
| IUPAC Name | 4-hydroxy-3,5-dimethoxybenzaldehyde |
| Canonical SMILES | COc1cc(C=O)cc(c1O)OC |
| Standard InCHI | InChI=1S/C9H10O4/c1-12-7-3-6(5-10)4-8(13-2)9(7)11/h3-5,11H,1-2H3 |
| Standard InCHIKey | KCDXJAYRVLXPFO-UHFFFAOYSA-N |
| External Identifiers | ChEMBL [CHEMBL225303]; PubChem [8655]; |
| Reference of Component-Ingredient Pair | 24685503 |
Occurrence of the ingredient across TCM components
Ingredient ID: TCMC2967
Formula: C19H38O2
Ingredient ID: TCMC2967
| Common Name | Methyl Octadecanoate |
| IUPAC Name | methyl octadecanoate |
| Canonical SMILES | CCCCCCCCCCCCCCCCCC(=O)OC |
| Standard InCHI | InChI=1S/C19H38O2/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19(20)21-2/h3-18H2,1-2H3 |
| Standard InCHIKey | HPEUJPJOZXNMSJ-UHFFFAOYSA-N |
| External Identifiers | ChEMBL [N/A]; PubChem [8201]; |
| Reference of Component-Ingredient Pair | 22113189 |
Occurrence of the ingredient across TCM components
Ingredient ID: TCMC2964
Formula: C17H34O2
Ingredient ID: TCMC2964
| Common Name | Methyl Hexadecanate,Methyl Palmitate |
| IUPAC Name | methyl hexadecanoate |
| Canonical SMILES | CCCCCCCCCCCCCCCC(=O)OC |
| Standard InCHI | InChI=1S/C17H34O2/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17(18)19-2/h3-16H2,1-2H3 |
| Standard InCHIKey | FLIACVVOZYBSBS-UHFFFAOYSA-N |
| External Identifiers | ChEMBL [CHEMBL335125]; PubChem [8181]; |
| Reference of Component-Ingredient Pair | 22978235 |
Occurrence of the ingredient across TCM components
| Component ID | Latin Name | Pinyin Name | Chinese Name |
|---|---|---|---|
| TCMH1219 | Semen armeniacae amarum | Ku Xing Ren | 苦杏仁 |
| TCMH1680 | Sinomenium acutum | Qing Feng Teng | 青风藤 |
| TCMH1768 | Panax notoginseng | San Qi | 三七 |
| TCMH305 | Cnidium officinale | Chuan Xiong | 川芎 |
| TCMH426 | Codonopsis pilosula | Dang Shen | 党参 |
| TCMH925 | Exocarpium citri grandis | Hua Ju Hong | 化橘红 |
Showing 1 to 6 of 6 entries
Ingredient ID: TCMC2959
Formula: C9H18O2
Ingredient ID: TCMC2959
| Common Name | Nonanoic Acid |
| IUPAC Name | nonanoic acid |
| Canonical SMILES | CCCCCCCCC(=O)[O-] |
| Standard InCHI | InChI=1S/C9H18O2/c1-2-3-4-5-6-7-8-9(10)11/h2-8H2,1H3,(H,10,11)/p-1 |
| Standard InCHIKey | FBUKVWPVBMHYJY-UHFFFAOYSA-M |
| External Identifiers | ChEMBL [CHEMBL108436]; PubChem [8158]; |
| Reference of Component-Ingredient Pair | 29968805 |
Occurrence of the ingredient across TCM components
Ingredient ID: TCMC2956
Formula: C9H18O2
Ingredient ID: TCMC2956
| Common Name | Methyl Caprylate |
| IUPAC Name | methyl octanoate |
| Canonical SMILES | CCCCCCCC(=O)OC |
| Standard InCHI | InChI=1S/C9H18O2/c1-3-4-5-6-7-8-9(10)11-2/h3-8H2,1-2H3 |
| Standard InCHIKey | JGHZJRVDZXSNKQ-UHFFFAOYSA-N |
| External Identifiers | ChEMBL [CHEMBL3183908]; PubChem [8091]; |
| Reference of Component-Ingredient Pair | 22277184 |
Occurrence of the ingredient across TCM components
Ingredient ID: TCMC2910
Formula: C5H4O3
Ingredient ID: TCMC2910
| Common Name | 2-Furancarboxylic Acid,2-Furoic Acid |
| IUPAC Name | furan-2-carboxylic acid |
| Canonical SMILES | [O-]C(=O)c1ccco1 |
| Standard InCHI | InChI=1S/C5H4O3/c6-5(7)4-2-1-3-8-4/h1-3H,(H,6,7)/p-1 |
| Standard InCHIKey | SMNDYUVBFMFKNZ-UHFFFAOYSA-M |
| External Identifiers | ChEMBL [CHEMBL1232797]; PubChem [6919]; |
| Reference of Component-Ingredient Pair | 23021803 |
Occurrence of the ingredient across TCM components
Ingredient ID: TCMC2892
Formula: C6H6O3
Ingredient ID: TCMC2892
| Common Name | 5-Methoxyfuraldehyde |
| IUPAC Name | 5-methoxyfuran-2-carbaldehyde |
| Canonical SMILES | COc1ccc(o1)C=O |
| Standard InCHI | InChI=1S/C6H6O3/c1-8-6-3-2-5(4-7)9-6/h2-4H,1H3 |
| Standard InCHIKey | RJGBSYZFOCAGQY-UHFFFAOYSA-N |
| External Identifiers | ChEMBL [N/A]; PubChem [6208]; |
| Reference of Component-Ingredient Pair | 12923605 |
Occurrence of the ingredient across TCM components
Ingredient ID: TCMC2887
Formula: C5H10O5
Ingredient ID: TCMC2887
| Common Name | Xylose |
| IUPAC Name | (2S,3R,4S,5R)-oxane-2,3,4,5-tetrol |
| Canonical SMILES | O[C@@H]1CO[C@@H]([C@@H]([C@H]1O)O)O |
| Standard InCHI | InChI=1S/C5H10O5/c6-2-1-10-5(9)4(8)3(2)7/h2-9H,1H2/t2-,3+,4-,5+/m1/s1 |
| Standard InCHIKey | SRBFZHDQGSBBOR-LECHCGJUSA-N |
| External Identifiers | ChEMBL [N/A]; PubChem [6027]; |
| Reference of Component-Ingredient Pair | 22315613 |
Occurrence of the ingredient across TCM components
| Component ID | Latin Name | Pinyin Name | Chinese Name |
|---|---|---|---|
| TCMH1339 | Phragmites communis | Lu Gen | 芦根 |
| TCMH1343 | Aloe vera | Lu Hui | 芦荟 |
| TCMH1721 | Panax ginseng | Ren Shen | 人参 |
| TCMH1798 | Morus alba | Sang Zhi | 桑枝 |
| TCMH1845 | Dioscorea batatas | Shan Yao | 山药 |
| TCMH426 | Codonopsis pilosula | Dang Shen | 党参 |
| TCMH90 | Imperata cylindrica | Bai Mao Gen | 白茅根 |
Showing 1 to 7 of 7 entries
Ingredient ID: TCMC2865
Formula: C9H16O4
Ingredient ID: TCMC2865
| Common Name | Azelaic Acid |
| IUPAC Name | nonanedioic acid |
| Canonical SMILES | [O-]C(=O)CCCCCCCC(=O)[O-] |
| Standard InCHI | InChI=1S/C9H16O4/c10-8(11)6-4-2-1-3-5-7-9(12)13/h1-7H2,(H,10,11)(H,12,13)/p-2 |
| Standard InCHIKey | BDJRBEYXGGNYIS-UHFFFAOYSA-L |
| External Identifiers | ChEMBL [CHEMBL1238]; PubChem [2266]; |
| Reference of Component-Ingredient Pair | 22920095 |
Occurrence of the ingredient across TCM components
Ingredient ID: TCMC2560
Formula: C9H20O
Ingredient ID: TCMC2560
| Common Name | Nonanol |
| IUPAC Name | nonan-1-ol |
| Canonical SMILES | CCCCCCCCCO |
| Standard InCHI | InChI=1S/C9H20O/c1-2-3-4-5-6-7-8-9-10/h10H,2-9H2,1H3 |
| Standard InCHIKey | ZWRUINPWMLAQRD-UHFFFAOYSA-N |
| External Identifiers | ChEMBL [CHEMBL24563]; PubChem [8914]; |
| Reference of Component-Ingredient Pair | 29069497 |
Occurrence of the ingredient across TCM components
| Component ID | Latin Name | Pinyin Name | Chinese Name |
|---|---|---|---|
| TCMH1126 | Craibiodendron yunnanese | Jin Ye Zi | 金叶子 |
| TCMH1178 | Citrus reticulata | Ju He | 橘核 |
| TCMH1184 | Citrus reticulata | Ju Pi | 橘皮 |
| TCMH1430 | Hordeum vulgare | Mai Ya | 麦芽 |
| TCMH1518 | Chaenomeles sinensis | Mu Gua | 木瓜 |
| TCMH1721 | Panax ginseng | Ren Shen | 人参 |
| TCMH1728 | Panax ginseng | Ren Shen Ye | 人参叶 |
| TCMH1734 | Homo sapiens | Ren Zhong Bai | 人中白 |
| TCMH1839 | Panax ginseng | Shan Shen | 山参 |
| TCMH1903 | Zingiber officinale | Sheng Jiang | 生姜 |
Showing 1 to 10 of 34 entries
Ingredient ID: TCMC2491
Formula: C3H6O2
Ingredient ID: TCMC2491
| Common Name | Propionic Acid |
| IUPAC Name | propanoic acid |
| Canonical SMILES | CCC(=O)O |
| Standard InCHI | InChI=1S/C3H6O2/c1-2-3(4)5/h2H2,1H3,(H,4,5) |
| Standard InCHIKey | XBDQKXXYIPTUBI-UHFFFAOYSA-N |
| External Identifiers | ChEMBL [CHEMBL14021]; PubChem [1032]; |
| Reference of Component-Ingredient Pair | 22199215 |
Occurrence of the ingredient across TCM components
| Component ID | Latin Name | Pinyin Name | Chinese Name |
|---|---|---|---|
| TCMH1150 | Gynura segetum | Jing Tian San Qi | 景天三七 |
| TCMH1185 | Lycium chinense | Gou Qi | 枸杞 |
| TCMH1186 | Lycium chinense | Gou Qi Zi | 枸杞子 |
| TCMH1275 | Nelumbo nucifera | Lian Zi | 莲子 |
| TCMH1276 | Nelumbo nucifera | Lian Zi Xin | 莲子心 |
| TCMH1431 | Vitex trifolia | Man Jing Ye | 蔓荆叶 |
| TCMH1432 | Vitex trifolia | Man Jing Zi | 蔓荆子 |
| TCMH1598 | Nelumbo nucifera | Ou | 藕 |
| TCMH1599 | Nelumbo nucifera | Ou Fen | 藕粉 |
| TCMH1601 | Nelumbo nucifera | Ou Pian | 藕片 |
Showing 1 to 10 of 51 entries
Ingredient ID: TCMC2324
Formula: C10H16
Ingredient ID: TCMC2324
| Common Name | Limonene |
| IUPAC Name | (4R)-1-methyl-4-prop-1-en-2-ylcyclohexene |
| Canonical SMILES | CC1=CC[C@@H](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/t10-/m0/s1 |
| Standard InCHIKey | XMGQYMWWDOXHJM-JTQLQIEISA-N |
| External Identifiers | ChEMBL [CHEMBL449062]; PubChem [440917]; |
| Reference of Component-Ingredient Pair | 22945026 |
Occurrence of the ingredient across TCM components
| Component ID | Latin Name | Pinyin Name | Chinese Name |
|---|---|---|---|
| TCMH1000 | Foeniculum vulgare | Hui Xiang | 茴香 |
| TCMH1063 | Curcuma longa | Jiang Huang | 姜黄 |
| TCMH108 | Perilla frutescens | Bai Su Zi | 白苏子 |
| TCMH1141 | Schizonepeta tenuifolia | Jing Jie | 荆芥 |
| TCMH1142 | Schizonepetae spica | Jing Jie Sui | 荆芥穗 |
| TCMH1165 | Murraya paniculata | Jiu Li Xiang | 九里香 |
| 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 |
Showing 1 to 10 of 147 entries
Ingredient ID: TCMC2232
Formula: C29H50O2
Ingredient ID: TCMC2232
| Common Name | Vitamin E |
| IUPAC Name | (2R)-2,5,7,8-tetramethyl-2-[(4R,8R)-4,8,12-trimethyltridecyl]-3,4-dihydrochromen-6-ol |
| Canonical SMILES | C[C@@H](CCC[C@]1(C)CCc2c(O1)c(C)c(c(c2C)O)C)CCC[C@@H](CCCC(C)C)C |
| Standard InCHI | InChI=1S/C29H50O2/c1-20(2)12-9-13-21(3)14-10-15-22(4)16-11-18-29(8)19-17-26-25(7)27(30)23(5)24(6)28(26)31-29/h20-22,30H,9-19H2,1-8H3/t21-,22-,29-/m1/s1 |
| Standard InCHIKey | GVJHHUAWPYXKBD-IEOSBIPESA-N |
| External Identifiers | ChEMBL [CHEMBL47]; PubChem [14985]; |
| Reference of Component-Ingredient Pair | 23122131 |
Occurrence of the ingredient across TCM components
| Component ID | Latin Name | Pinyin Name | Chinese Name |
|---|---|---|---|
| TCMH108 | Perilla frutescens | Bai Su Zi | 白苏子 |
| TCMH1090 | Brassica juncea | Jie Zi | 芥子 |
| TCMH1239 | Raphanus sativus | Lai Fu | 莱菔 |
| TCMH1240 | Raphanus sativus | Lai Fu Zi | 莱菔子 |
| TCMH1499 | Changium smyrnioides | Ming Dang Shen | 明党参 |
| TCMH1584 | Achyranthes bidentata | Niu Teng | 牛藤 |
| TCMH1588 | Achyranthes bidentata | Niu Xi | 牛膝 |
| TCMH1632 | Taraxacum mongolicum | Pu Gong Ying | 蒲公英 |
| TCMH1633 | Taraxacum mongolicum | Pu Gong Ying Jin Gao | 蒲公英浸膏 |
| TCMH1643 | Syzygium jambos | Pu Tao(1) | 蒲桃 |
Showing 1 to 10 of 47 entries
Ingredient ID: TCMC2201
Formula: C8H10O2
Ingredient ID: TCMC2201
| Common Name | Tyrosol |
| IUPAC Name | 4-(2-hydroxyethyl)phenol |
| Canonical SMILES | OCCc1ccc(cc1)O |
| Standard InCHI | InChI=1S/C8H10O2/c9-6-5-7-1-3-8(10)4-2-7/h1-4,9-10H,5-6H2 |
| Standard InCHIKey | YCCILVSKPBXVIP-UHFFFAOYSA-N |
| External Identifiers | ChEMBL [CHEMBL53566]; PubChem [10393]; |
| Reference of Component-Ingredient Pair | 23017390 |
Occurrence of the ingredient across TCM components
| Component ID | Latin Name | Pinyin Name | Chinese Name |
|---|---|---|---|
| TCMH1011 | Sargentodoxa cuneata | Huo Xue Teng | 活血藤 |
| TCMH1272 | Forsythia suspensa | Lian Qiao | 连翘 |
| TCMH1417 | Pinus massoniana | Ma Wei Song Gen | 马尾松根 |
| TCMH1418 | Pinus massoniana | Ma Wei Song Shu Gen | 马尾松树根 |
| TCMH143 | Albizia julibrissin | Bei He Huan | 北合欢 |
| TCMH1442 | Datura stramonium | Man Tuo Luo | 曼陀罗 |
| TCMH1443 | Datura stramonium | Man Tuo Luo Jin Gao | 曼陀罗浸膏 |
| TCMH1597 | Ligustrum lucidum | Nv Zhen Zi | 女贞子 |
| TCMH1734 | Homo sapiens | Ren Zhong Bai | 人中白 |
| TCMH1740 | Cistanche deserticola | Rou Cong Rong | 肉苁蓉 |
Showing 1 to 10 of 39 entries
Ingredient ID: TCMC2131
Formula: C4H6O6
Ingredient ID: TCMC2131
| Common Name | Tartrate |
| IUPAC Name | (2R,3R)-2,3-dihydroxybutanedioic acid |
| Canonical SMILES | O[C@H]([C@H](C(=O)O)O)C(=O)O |
| Standard InCHI | InChI=1S/C4H6O6/c5-1(3(7)8)2(6)4(9)10/h1-2,5-6H,(H,7,8)(H,9,10)/t1-,2-/m1/s1 |
| Standard InCHIKey | FEWJPZIEWOKRBE-JCYAYHJZSA-N |
| External Identifiers | ChEMBL [CHEMBL1236315]; PubChem [444305]; |
| Reference of Component-Ingredient Pair | 22531183 |
Occurrence of the ingredient across TCM components
| Component ID | Latin Name | Pinyin Name | Chinese Name |
|---|---|---|---|
| TCMH1008 | Pogostemon cablin | Huo Xiang | 藿香 |
| TCMH1009 | Pogostemon cablin | Huo Xiang Ye | 藿香叶 |
| TCMH1175 | Cornus officinalis | Jiu Yu Rou | 酒萸肉 |
| TCMH1343 | Aloe vera | Lu Hui | 芦荟 |
| TCMH1446 | Vaccinium oxycoccos | Man Yue Mei | 蔓越莓 |
| TCMH1448 | Mangifera indica | Mang Guo Ye | 芒果叶 |
| TCMH1518 | Chaenomeles sinensis | Mu Gua | 木瓜 |
| TCMH1734 | Homo sapiens | Ren Zhong Bai | 人中白 |
| TCMH1834 | Vitex quinata | Shan Mu Jing | 山牡荆 |
| TCMH1862 | Cornus officinalis | Shan Zhu Yu | 山茱萸 |
Showing 1 to 10 of 25 entries
Ingredient ID: TCMC2129
Formula: C30H50O
Ingredient ID: TCMC2129
| Common Name | Taraxerol |
| IUPAC Name | (3S,4aR,6aR,6aS,8aR,12aR,14aR,14bR)-4,4,6a,6a,8a,11,11,14b-octamethyl-1,2,3,4a,5,6,8,9,10,12,12a,13,14,14a-tetradecahydropicen-3-ol |
| Canonical SMILES | O[C@H]1CC[C@]2([C@H](C1(C)C)CC[C@@]1([C@@H]2CC[C@@]2(C1=CC[C@@]1([C@H]2CC(C)(C)CC1)C)C)C)C |
| Standard InCHI | InChI=1S/C30H50O/c1-25(2)17-18-27(5)13-9-21-29(7)14-10-20-26(3,4)24(31)12-16-28(20,6)22(29)11-15-30(21,8)23(27)19-25/h9,20,22-24,31H,10-19H2,1-8H3/t20-,22+,23+,24-,27-,28-,29-,30+/m0/s1 |
| Standard InCHIKey | GGGUGZHBAOMSFJ-GADYQYKKSA-N |
| External Identifiers | ChEMBL [CHEMBL511822]; PubChem [92097]; |
| Reference of Component-Ingredient Pair | 17803686 |
Occurrence of the ingredient across TCM components
| Component ID | Latin Name | Pinyin Name | Chinese Name |
|---|---|---|---|
| TCMH1431 | Vitex trifolia | Man Jing Ye | 蔓荆叶 |
| TCMH1432 | Vitex trifolia | Man Jing Zi | 蔓荆子 |
| TCMH1448 | Mangifera indica | Mang Guo Ye | 芒果叶 |
| TCMH1584 | Achyranthes bidentata | Niu Teng | 牛藤 |
| TCMH1588 | Achyranthes bidentata | Niu Xi | 牛膝 |
| TCMH1643 | Syzygium jambos | Pu Tao(1) | 蒲桃 |
| TCMH1856 | Gardenia jasminoides | Shan Zhi | 山栀 |
| TCMH2347 | Ventilago leiocarpa | Xue Feng Teng | 血风藤 |
| TCMH2378 | Daphne genkwa | Yuan Hua | 芫花 |
| TCMH2379 | Daphne genkwa | Yuan Hua Gen | 芫花根 |
Showing 1 to 10 of 22 entries
Ingredient ID: TCMC2114
Formula: C6H11NOS2
Ingredient ID: TCMC2114
| Common Name | Sulforaphane |
| IUPAC Name | 1-isothiocyanato-4-methylsulfinylbutane |
| Canonical SMILES | S=C=NCCCCS(=O)C |
| Standard InCHI | InChI=1S/C6H11NOS2/c1-10(8)5-3-2-4-7-6-9/h2-5H2,1H3 |
| Standard InCHIKey | SUVMJBTUFCVSAD-UHFFFAOYSA-N |
| External Identifiers | ChEMBL [CHEMBL48802]; PubChem [5350]; |
| Reference of Component-Ingredient Pair | N/A |
Occurrence of the ingredient across TCM components
| Component ID | Latin Name | Pinyin Name | Chinese Name |
|---|---|---|---|
| TCMH1239 | Raphanus sativus | Lai Fu | 莱菔 |
| TCMH1240 | Raphanus sativus | Lai Fu Zi | 莱菔子 |
| TCMH1734 | Homo sapiens | Ren Zhong Bai | 人中白 |
| TCMH195 | Raphanus sativus | Cai Fu Zi | 菜菔子 |
| TCMH2710 | Homo sapiens | Zi He Che | 紫河车 |
| TCMH426 | Codonopsis pilosula | Dang Shen | 党参 |
| TCMH428 | Codonopsis pilosula | Dang Shen Qing Gao | 党参清膏 |
Showing 1 to 7 of 7 entries
Ingredient ID: TCMC1982
Formula: C15H10O7
Ingredient ID: TCMC1982
| Common Name | Quercetin |
| IUPAC Name | 2-(3,4-dihydroxyphenyl)-3,5,7-trihydroxychromen-4-one |
| Canonical SMILES | Oc1cc(O)c2c(c1)oc(c(c2=O)O)c1ccc(c(c1)O)O |
| Standard InCHI | InChI=1S/C15H10O7/c16-7-4-10(19)12-11(5-7)22-15(14(21)13(12)20)6-1-2-8(17)9(18)3-6/h1-5,16-19,21H |
| Standard InCHIKey | REFJWTPEDVJJIY-UHFFFAOYSA-N |
| External Identifiers | ChEMBL [CHEMBL50]; PubChem [5280343]; |
| Reference of Component-Ingredient Pair | 26766292 |
Occurrence of the ingredient across TCM components
| Component ID | Latin Name | Pinyin Name | Chinese Name |
|---|---|---|---|
| TCMH1008 | Pogostemon cablin | Huo Xiang | 藿香 |
| TCMH1009 | Pogostemon cablin | Huo Xiang Ye | 藿香叶 |
| TCMH1032 | Impatiens balsamina | Ji Xing Zi | 急性子 |
| TCMH1033 | Centella asiatica | Ji Xue Cao | 积雪草 |
| TCMH1090 | Brassica juncea | Jie Zi | 芥子 |
| TCMH1096 | Inula japonica | Jin Fei Cao | 金沸草 |
| TCMH1099 | Gymnema sylvestre | Jin Gang Teng | 金刚藤 |
| TCMH1100 | Gymnema sylvestre | Jin Gang Tou | 金刚头 |
| TCMH1105 | Trollius chinensis | Jin Lian Hua | 金莲花 |
| TCMH1117 | Rhizoma fagopyri cymosi | Jin Qiao Mai | 金荞麦 |
Showing 1 to 10 of 278 entries
Ingredient ID: TCMC1871
Formula: C6H6O
Ingredient ID: TCMC1871
| Common Name | Phenol |
| IUPAC Name | phenol |
| Canonical SMILES | Oc1ccccc1 |
| Standard InCHI | InChI=1S/C6H6O/c7-6-4-2-1-3-5-6/h1-5,7H |
| Standard InCHIKey | ISWSIDIOOBJBQZ-UHFFFAOYSA-N |
| External Identifiers | ChEMBL [CHEMBL14060]; PubChem [996]; |
| 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 |
| TCMH1154 | Ilex rotunda | Jiu Bi Ying | 救必应 |
| TCMH120 | Atractylodes macrocephala | Bai Zhu | 白术 |
| TCMH1296 | Ganoderma lucidum | Ling Zhi Jin Gao | 灵芝浸膏 |
| TCMH1299 | Ganoderma lucidum | Ling Zhi(1) | 灵芝 |
| TCMH1343 | Aloe vera | Lu Hui | 芦荟 |
| TCMH1367 | Apocynum venetum | Luo Bu Ma | 罗布麻 |
| TCMH1431 | Vitex trifolia | Man Jing Ye | 蔓荆叶 |
| TCMH1432 | Vitex trifolia | Man Jing Zi | 蔓荆子 |
| TCMH1518 | Chaenomeles sinensis | Mu Gua | 木瓜 |
Showing 1 to 10 of 37 entries
Ingredient ID: TCMC1839
Formula: C7H6O3
Ingredient ID: TCMC1839
| 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 |
Occurrence of the ingredient across TCM components
| 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 |
Showing 1 to 10 of 162 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: TCMC1609
Formula: C15H10O8
Ingredient ID: TCMC1609
| Common Name | Myricetin |
| IUPAC Name | 3,5,7-trihydroxy-2-(3,4,5-trihydroxyphenyl)chromen-4-one |
| Canonical SMILES | Oc1cc(O)c2c(c1)oc(c(c2=O)O)c1cc(O)c(c(c1)O)O |
| Standard InCHI | InChI=1S/C15H10O8/c16-6-3-7(17)11-10(4-6)23-15(14(22)13(11)21)5-1-8(18)12(20)9(19)2-5/h1-4,16-20,22H |
| Standard InCHIKey | IKMDFBPHZNJCSN-UHFFFAOYSA-N |
| External Identifiers | ChEMBL [CHEMBL164]; PubChem [5281672]; |
| Reference of Component-Ingredient Pair | 25349334 |
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 |
| TCMH114 | Platycladus orientalis | Bai Ye | 柏叶 |
| TCMH1181 | Chrysanthemum morifolium | Ju Hua | 菊花 |
| TCMH1275 | Nelumbo nucifera | Lian Zi | 莲子 |
| TCMH1276 | Nelumbo nucifera | Lian Zi Xin | 莲子心 |
| TCMH1296 | Ganoderma lucidum | Ling Zhi Jin Gao | 灵芝浸膏 |
| TCMH1299 | Ganoderma lucidum | Ling Zhi(1) | 灵芝 |
| TCMH1305 | Laggera alata | Liu Ling Ju | 六棱菊 |
| TCMH1322 | Solanum nigrum | Long Kui | 龙葵 |
| TCMH1348 | Liquidambar formosana | Lu Lu Tong | 路路通 |
Showing 1 to 10 of 62 entries
Ingredient ID: TCMC16
Formula: C18H20O3
Ingredient ID: TCMC16
| Common Name | (-)-Larreatricin |
| IUPAC Name | 4-[(2S,3S,4R,5S)-5-(4-hydroxyphenyl)-3,4-dimethyloxolan-2-yl]phenol |
| Canonical SMILES | C[C@@H]1[C@H](O[C@@H]([C@@H]1C)c1ccc(cc1)O)c1ccc(cc1)O |
| Standard InCHI | InChI=1S/C18H20O3/c1-11-12(2)18(14-5-9-16(20)10-6-14)21-17(11)13-3-7-15(19)8-4-13/h3-12,17-20H,1-2H3/t11-,12+,17-,18-/m0/s1 |
| Standard InCHIKey | PIBJADPEZQHMQS-CMKMFDCUSA-N |
| External Identifiers | ChEMBL [CHEMBL2147416]; PubChem [26389403]; |
| Reference of Component-Ingredient Pair | N/A |
Occurrence of the ingredient across TCM components
Ingredient ID: TCMC1512
Formula: C9H11NO2
Ingredient ID: TCMC1512
| Common Name | L-Phenylalanine |
| IUPAC Name | (2S)-2-azaniumyl-3-phenylpropanoate |
| Canonical SMILES | N[C@H](C(=O)O)Cc1ccccc1 |
| Standard InCHI | InChI=1S/C9H11NO2/c10-8(9(11)12)6-7-4-2-1-3-5-7/h1-5,8H,6,10H2,(H,11,12)/t8-/m0/s1 |
| Standard InCHIKey | COLNVLDHVKWLRT-QMMMGPOBSA-N |
| External Identifiers | ChEMBL [CHEMBL301523]; PubChem [6925665]; |
| Reference of Component-Ingredient Pair | 19212411 |
Occurrence of the ingredient across TCM components
| Component ID | Latin Name | Pinyin Name | Chinese Name |
|---|---|---|---|
| TCMH1090 | Brassica juncea | Jie Zi | 芥子 |
| TCMH1175 | Cornus officinalis | Jiu Yu Rou | 酒萸肉 |
| TCMH1294 | Cornu saigae tataricae | Ling Yang Jiao | 羚羊角 |
| TCMH130 | Pinellia ternata | Ban Xia | 半夏 |
| TCMH131 | Pinellia ternata | Ban Xia Qu | 半夏曲 |
| TCMH1632 | Taraxacum mongolicum | Pu Gong Ying | 蒲公英 |
| TCMH1633 | Taraxacum mongolicum | Pu Gong Ying Jin Gao | 蒲公英浸膏 |
| TCMH1667 | Fagopyrum esculentum | Qiao Mai | 荞麦 |
| TCMH1677 | Pinellia ternata | Qing Ban Xia | 清半夏 |
| TCMH1734 | Homo sapiens | Ren Zhong Bai | 人中白 |
Showing 1 to 10 of 44 entries
Ingredient ID: TCMC1446
Formula: C21H20O11
Ingredient ID: TCMC1446
| Common Name | Kuromanin |
| IUPAC Name | (2S,3R,4S,5S,6R)-2-[2-(3,4-dihydroxyphenyl)-5,7-dihydroxychromenylium-3-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol |
| Canonical SMILES | OC[C@H]1O[C@@H](Oc2cc3c(O)cc(cc3[o+]c2c2ccc(c(c2)O)O)O)[C@@H]([C@H]([C@@H]1O)O)O |
| Standard InCHI | InChI=1S/C21H20O11/c22-7-16-17(27)18(28)19(29)21(32-16)31-15-6-10-12(25)4-9(23)5-14(10)30-20(15)8-1-2-11(24)13(26)3-8/h1-6,16-19,21-22,27-29H,7H2,(H3-,23,24,25,26)/p+1/t16-,17-,18+,19-,21-/m1/s1 |
| Standard InCHIKey | RKWHWFONKJEUEF-GQUPQBGVSA-O |
| External Identifiers | ChEMBL [CHEMBL257839]; PubChem [441667]; |
| Reference of Component-Ingredient Pair | 22247601 |
Occurrence of the ingredient across TCM components
| Component ID | Latin Name | Pinyin Name | Chinese Name |
|---|---|---|---|
| TCMH120 | Atractylodes macrocephala | Bai Zhu | 白术 |
| TCMH1446 | Vaccinium oxycoccos | Man Yue Mei | 蔓越莓 |
| TCMH1518 | Chaenomeles sinensis | Mu Gua | 木瓜 |
| TCMH1681 | Artemisia carvifolia | Qing Hao | 青蒿 |
| TCMH1682 | Artemisia carvifolia | Qing Hao Zi | 青蒿子 |
| 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 |
| TCMH2050 | Punica granatum | Suan Shi Liu | 酸石榴 |
Showing 1 to 10 of 17 entries
Ingredient ID: TCMC1429
Formula: C15H10O6
Ingredient ID: TCMC1429
| Common Name | Kaempferol |
| IUPAC Name | 3,5,7-trihydroxy-2-(4-hydroxyphenyl)chromen-4-one |
| Canonical SMILES | Oc1ccc(cc1)c1oc2cc(O)cc(c2c(=O)c1O)O |
| Standard InCHI | InChI=1S/C15H10O6/c16-8-3-1-7(2-4-8)15-14(20)13(19)12-10(18)5-9(17)6-11(12)21-15/h1-6,16-18,20H |
| Standard InCHIKey | IYRMWMYZSQPJKC-UHFFFAOYSA-N |
| External Identifiers | ChEMBL [CHEMBL150]; PubChem [5280863]; |
| Reference of Component-Ingredient Pair | 29162470 |
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 |
| TCMH103 | Thesium chinense | Bai Rui Cao | 百蕊草 |
| TCMH1032 | Impatiens balsamina | Ji Xing Zi | 急性子 |
| TCMH1033 | Centella asiatica | Ji Xue Cao | 积雪草 |
| TCMH1090 | Brassica juncea | Jie Zi | 芥子 |
| TCMH1096 | Inula japonica | Jin Fei Cao | 金沸草 |
| TCMH1127 | Lonicera japonica | Jin Yin Hua | 金银花 |
| TCMH1128 | Lonicera japonica | Jin Yin Hua Ti Qu Ye | 金银花提取液 |
Showing 1 to 10 of 188 entries
Ingredient ID: TCMC1409
Formula: C21H20O12
Ingredient ID: TCMC1409
| Common Name | Isoquercetin |
| IUPAC Name | 2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-3-[(2S,3R,4S,5S,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(c(c2)O)O)[C@@H]([C@H]([C@@H]1O)O)O |
| Standard InCHI | InChI=1S/C21H20O12/c22-6-13-15(27)17(29)18(30)21(32-13)33-20-16(28)14-11(26)4-8(23)5-12(14)31-19(20)7-1-2-9(24)10(25)3-7/h1-5,13,15,17-18,21-27,29-30H,6H2/t13-,15-,17+,18-,21+/m1/s1 |
| Standard InCHIKey | OVSQVDMCBVZWGM-QSOFNFLRSA-N |
| External Identifiers | ChEMBL [CHEMBL250450]; PubChem [5280804]; |
| Reference of Component-Ingredient Pair | 22667148 |
Occurrence of the ingredient across TCM components
| Component ID | Latin Name | Pinyin Name | Chinese Name |
|---|---|---|---|
| TCMH1000 | Foeniculum vulgare | Hui Xiang | 茴香 |
| TCMH101 | Chelidonium majus | Bai Qu Cai | 白屈菜 |
| TCMH1032 | Impatiens balsamina | Ji Xing Zi | 急性子 |
| TCMH1033 | Centella asiatica | Ji Xue Cao | 积雪草 |
| TCMH1127 | Lonicera japonica | Jin Yin Hua | 金银花 |
| TCMH1128 | Lonicera japonica | Jin Yin Hua Ti Qu Ye | 金银花提取液 |
| TCMH1144 | Schizonepetae herba | Jing Jie Tan | 荆芥炭 |
| TCMH1175 | Cornus officinalis | Jiu Yu Rou | 酒萸肉 |
| TCMH1198 | Rostellularia procumbens | Jue Chuang | 爵床 |
| TCMH12 | Artemisia argyi | Ai Ye | 艾叶 |
Showing 1 to 10 of 161 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: TCMC1356
Formula: C21H20O12
Ingredient ID: TCMC1356
| Common Name | Hyperoside |
| IUPAC Name | 2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-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(c(c2)O)O)[C@@H]([C@H]([C@H]1O)O)O |
| Standard InCHI | InChI=1S/C21H20O12/c22-6-13-15(27)17(29)18(30)21(32-13)33-20-16(28)14-11(26)4-8(23)5-12(14)31-19(20)7-1-2-9(24)10(25)3-7/h1-5,13,15,17-18,21-27,29-30H,6H2/t13-,15+,17+,18-,21+/m1/s1 |
| Standard InCHIKey | OVSQVDMCBVZWGM-DTGCRPNFSA-N |
| External Identifiers | ChEMBL [CHEMBL251254]; PubChem [5281643]; |
| Reference of Component-Ingredient Pair | 27019979 |
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 |
| TCMH1099 | Gymnema sylvestre | Jin Gang Teng | 金刚藤 |
| TCMH1100 | Gymnema sylvestre | Jin Gang Tou | 金刚头 |
| TCMH1127 | Lonicera japonica | Jin Yin Hua | 金银花 |
| TCMH1128 | Lonicera japonica | Jin Yin Hua Ti Qu Ye | 金银花提取液 |
| TCMH1175 | Cornus officinalis | Jiu Yu Rou | 酒萸肉 |
| TCMH12 | Artemisia argyi | Ai Ye | 艾叶 |
| TCMH1223 | Tussilago farfara | Kuan Dong Hua | 款冬花 |
Showing 1 to 10 of 102 entries
Ingredient ID: TCMC1331
Formula: C6H9N3O2
Ingredient ID: TCMC1331
| Common Name | Histidine |
| IUPAC Name | (2S)-2-amino-3-(1H-imidazol-5-yl)propanoic acid |
| Canonical SMILES | N[C@H](C(=O)O)Cc1cnc[nH]1 |
| Standard InCHI | InChI=1S/C6H9N3O2/c7-5(6(10)11)1-4-2-8-3-9-4/h2-3,5H,1,7H2,(H,8,9)(H,10,11)/t5-/m0/s1 |
| Standard InCHIKey | HNDVDQJCIGZPNO-YFKPBYRVSA-N |
| External Identifiers | ChEMBL [CHEMBL17962]; PubChem [6274]; |
| Reference of Component-Ingredient Pair | N/A |
Occurrence of the ingredient across TCM components
| Component ID | Latin Name | Pinyin Name | Chinese Name |
|---|---|---|---|
| TCMH1090 | Brassica juncea | Jie Zi | 芥子 |
| TCMH1175 | Cornus officinalis | Jiu Yu Rou | 酒萸肉 |
| 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 |
| TCMH1734 | Homo sapiens | Ren Zhong Bai | 人中白 |
| TCMH1862 | Cornus officinalis | Shan Zhu Yu | 山茱萸 |
| TCMH1894 | Pinellia ternata | Sheng Ban Xia | 生半夏 |
| TCMH2066 | Santalum album | Tan Xiang | 檀香 |
| TCMH2375 | Trigonella foenum-graecum | Yan Hu Lu Ba | 盐胡芦巴 |
Showing 1 to 10 of 18 entries
Ingredient ID: TCMC1321
Formula: C28H34O15
Ingredient ID: TCMC1321
| Common Name | Hesperidin |
| IUPAC Name | (2S)-5-hydroxy-2-(3-hydroxy-4-methoxyphenyl)-7-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-[[(2R,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxymethyl]oxan-2-yl]oxy-2,3-dihydrochromen-4-one |
| Canonical SMILES | COc1ccc(cc1O)[C@@H]1CC(=O)c2c(O1)cc(cc2O)O[C@@H]1O[C@H](CO[C@@H]2O[C@@H](C)[C@@H]([C@H]([C@H]2O)O)O)[C@H]([C@@H]([C@H]1O)O)O |
| Standard InCHI | InChI=1S/C28H34O15/c1-10-21(32)23(34)25(36)27(40-10)39-9-19-22(33)24(35)26(37)28(43-19)41-12-6-14(30)20-15(31)8-17(42-18(20)7-12)11-3-4-16(38-2)13(29)5-11/h3-7,10,17,19,21-30,32-37H,8-9H2,1-2H3/t10-,17-,19+,21-,22+,23+,24-,25+,26+,27+,28+/m0/s1 |
| Standard InCHIKey | QUQPHWDTPGMPEX-QJBIFVCTSA-N |
| External Identifiers | ChEMBL [CHEMBL449317]; PubChem [10621]; |
| Reference of Component-Ingredient Pair | 25130191 |
Occurrence of the ingredient across TCM components
| Component ID | Latin Name | Pinyin Name | Chinese Name |
|---|---|---|---|
| TCMH1141 | Schizonepeta tenuifolia | Jing Jie | 荆芥 |
| TCMH1142 | Schizonepetae spica | Jing Jie Sui | 荆芥穗 |
| TCMH1144 | Schizonepetae herba | Jing Jie Tan | 荆芥炭 |
| TCMH1178 | Citrus reticulata | Ju He | 橘核 |
| TCMH1181 | Chrysanthemum morifolium | Ju Hua | 菊花 |
| TCMH1184 | Citrus reticulata | Ju Pi | 橘皮 |
| TCMH122 | Lobelia chinensis | Ban Bian Lian | 半边莲 |
| TCMH1272 | Forsythia suspensa | Lian Qiao | 连翘 |
| TCMH132 | Scutellaria barbata | Ban Zhi Lian | 半枝莲 |
| TCMH1396 | Portulaca oleracea | Ma Chi Xian | 马齿苋 |
Showing 1 to 10 of 42 entries
Ingredient ID: TCMC1271
Formula: C2H5NO2
Ingredient ID: TCMC1271
| Common Name | Glycine |
| IUPAC Name | 2-aminoacetic acid |
| Canonical SMILES | NCC(=O)O |
| Standard InCHI | InChI=1S/C2H5NO2/c3-1-2(4)5/h1,3H2,(H,4,5) |
| Standard InCHIKey | DHMQDGOQFOQNFH-UHFFFAOYSA-N |
| External Identifiers | ChEMBL [CHEMBL773]; PubChem [750]; |
| Reference of Component-Ingredient Pair | N/A |
Occurrence of the ingredient across TCM components
| Component ID | Latin Name | Pinyin Name | Chinese Name |
|---|---|---|---|
| TCMH1008 | Pogostemon cablin | Huo Xiang | 藿香 |
| TCMH1009 | Pogostemon cablin | Huo Xiang Ye | 藿香叶 |
| TCMH1090 | Brassica juncea | Jie Zi | 芥子 |
| TCMH1175 | Cornus officinalis | Jiu Yu Rou | 酒萸肉 |
| TCMH1185 | Lycium chinense | Gou Qi | 枸杞 |
| TCMH1186 | Lycium chinense | Gou Qi Zi | 枸杞子 |
| TCMH130 | Pinellia ternata | Ban Xia | 半夏 |
| TCMH131 | Pinellia ternata | Ban Xia Qu | 半夏曲 |
| TCMH1322 | Solanum nigrum | Long Kui | 龙葵 |
| TCMH1677 | Pinellia ternata | Qing Ban Xia | 清半夏 |
Showing 1 to 10 of 36 entries
Ingredient ID: TCMC1203
Formula: C8H8O5
Ingredient ID: TCMC1203
| Common Name | Gallic Acid Methyl Ester |
| IUPAC Name | methyl 3,4,5-trihydroxybenzoate |
| Canonical SMILES | COC(=O)c1cc(O)c(c(c1)O)O |
| Standard InCHI | InChI=1S/C8H8O5/c1-13-8(12)4-2-5(9)7(11)6(10)3-4/h2-3,9-11H,1H3 |
| Standard InCHIKey | FBSFWRHWHYMIOG-UHFFFAOYSA-N |
| External Identifiers | ChEMBL [CHEMBL65675]; PubChem [7428]; |
| 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 |
| TCMH1175 | Cornus officinalis | Jiu Yu Rou | 酒萸肉 |
| TCMH1448 | Mangifera indica | Mang Guo Ye | 芒果叶 |
| TCMH1493 | Euphorbia pekinensis | Mian Da Ji | 绵大戟 |
| TCMH1632 | Taraxacum mongolicum | Pu Gong Ying | 蒲公英 |
| TCMH1633 | Taraxacum mongolicum | Pu Gong Ying Jin Gao | 蒲公英浸膏 |
| TCMH1862 | Cornus officinalis | Shan Zhu Yu | 山茱萸 |
| TCMH1865 | Paeonia obovata | Shao Yao | 芍药 |
| TCMH1943 | Punica granatum | Shi Liu | 石榴 |
| TCMH1944 | Punica granatum | Shi Liu Pi | 石榴皮 |
Showing 1 to 10 of 34 entries
Ingredient ID: TCMC1202
Formula: C7H6O5
Ingredient ID: TCMC1202
| Common Name | Gallic Acid |
| IUPAC Name | 3,4,5-trihydroxybenzoic acid |
| Canonical SMILES | OC(=O)c1cc(O)c(c(c1)O)O |
| Standard InCHI | InChI=1S/C7H6O5/c8-4-1-3(7(11)12)2-5(9)6(4)10/h1-2,8-10H,(H,11,12) |
| Standard InCHIKey | LNTHITQWFMADLM-UHFFFAOYSA-N |
| External Identifiers | ChEMBL [CHEMBL288114]; PubChem [370]; |
| Reference of Component-Ingredient Pair | 23800587 |
Occurrence of the ingredient across TCM components
| Component ID | Latin Name | Pinyin Name | Chinese Name |
|---|---|---|---|
| TCMH1025 | Loropetalum chinense | Ji Mu Ye Jin Gao | 继木叶浸膏 |
| TCMH1033 | Centella asiatica | Ji Xue Cao | 积雪草 |
| TCMH108 | Perilla frutescens | Bai Su Zi | 白苏子 |
| TCMH1090 | Brassica juncea | Jie Zi | 芥子 |
| TCMH1121 | Cardiospermum halicacabum | Jin Si Ku Lian | 金丝苦楝 |
| 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 |
| TCMH1135 | Rosa laevigata | Jin Ying Zi Ti Qu Ye | 金樱子提取液 |
Showing 1 to 10 of 168 entries
Ingredient ID: TCMC1101
Formula: C11H12O3
Ingredient ID: TCMC1101
| Common Name | Elemicin |
| IUPAC Name | 4-methoxy-6-prop-2-enyl-1,3-benzodioxole |
| Canonical SMILES | C=CCc1cc(OC)c2c(c1)OCO2 |
| Standard InCHI | InChI=1S/C11H12O3/c1-3-4-8-5-9(12-2)11-10(6-8)13-7-14-11/h3,5-6H,1,4,7H2,2H3 |
| Standard InCHIKey | BNWJOHGLIBDBOB-UHFFFAOYSA-N |
| External Identifiers | ChEMBL [CHEMBL481044]; PubChem [4276]; |
| Reference of Component-Ingredient Pair | 29174417 |
Occurrence of the ingredient across TCM components
| Component ID | Latin Name | Pinyin Name | Chinese Name |
|---|---|---|---|
| TCMH1000 | Foeniculum vulgare | Hui Xiang | 茴香 |
| TCMH1045 | Piper sarmentosum | Jia Ju | 假蒟 |
| TCMH1051 | Piper sarmentosum | Jia 蒟ye | 假蒟叶 |
| TCMH108 | Perilla frutescens | Bai Su Zi | 白苏子 |
| TCMH1175 | Cornus officinalis | Jiu Yu Rou | 酒萸肉 |
| TCMH1292 | Radix smilacis | Ling Xian | 灵仙 |
| TCMH1431 | Vitex trifolia | Man Jing Ye | 蔓荆叶 |
| TCMH1432 | Vitex trifolia | Man Jing Zi | 蔓荆子 |
| TCMH1551 | Asarum forbesii | Nan Xi Xin | 南细辛 |
| TCMH1665 | Notopterygium incisum | Qiang Huo | 羌活 |
Showing 1 to 10 of 59 entries
Properties
| Ingredient ID | Formulae | Name | MW | AlogP | MlogP | XlogP | # HBA | # HBD | PSA | # Rotatable Bond | # Ring | # Heacy Atom | Lipinski RO5 Violation |
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| TCMC1101 | C11H12O3 | Elemicin | 192.08 | 0.6742 | 2.34 | 2.486 | 0 | 0 | 27.69 | 4 | 2 | 14 | 0 |
| TCMC1202 | C7H6O5 | Gallic Acid | 170.02 | -1.6207 | 1.68 | 0.002 | 2 | 4 | 97.99 | 5 | 1 | 12 | 0 |
| TCMC1203 | C8H8O5 | Gallic Acid Methyl Ester | 184.04 | -1.3697 | 1.79 | 0.323 | 2 | 3 | 86.99 | 6 | 1 | 13 | 0 |
| TCMC1271 | C2H5NO2 | Glycine | 75.03 | -1.1915 | 1.35 | -3.35 | 3 | 2 | 63.32 | 3 | 0 | 5 | 0 |
| TCMC1321 | C28H34O15 | Hesperidin | 610.19 | -4.86 | 2.89 | -1.489 | 10 | 8 | 234.29 | 17 | 5 | 43 | 1 |
| TCMC1331 | C6H9N3O2 | Histidine | 155.07 | -1.3116 | 1.57 | -3.134 | 5 | 3 | 92 | 5 | 1 | 11 | 0 |
| TCMC1356 | C21H20O12 | Hyperoside | 464.1 | -4.8921 | 2.45 | -0.354 | 7 | 8 | 206.6 | 12 | 4 | 33 | 1 |
| TCMC1402 | C21H20O13 | Isomyricitrin | 480.09 | -5.3524 | 2.34 | -0.888 | 7 | 9 | 226.83 | 13 | 4 | 34 | 1 |
| TCMC1409 | C21H20O12 | Isoquercetin | 464.1 | -4.8921 | 2.45 | -0.354 | 7 | 8 | 206.6 | 12 | 4 | 33 | 1 |
| TCMC1429 | C15H10O6 | Kaempferol | 286.05 | -2.3409 | 2.45 | 1.915 | 2 | 4 | 107.22 | 5 | 3 | 21 | 0 |
Showing 1 to 10 of 81 entries
Download Data
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