Description of the Component
Component ID |
TCMH1740 |
Latin Name |
Cistanche deserticola |
English Name |
Desertliving cistanche |
Chinese Pinyin Name |
Rou Cong Rong |
中文名 |
肉苁蓉 |
TCM Properties |
Warm,Sweet,Salty |
TCM Meridians |
Large Intestine,Kidney |
Therapeutic Class English |
For tonifying weakness |
Therapeutic Class Chinese |
补虚 |
Functions |
reinforce the kidney, replenish vital essence and blood, and induce Taxation |
Toxicity |
NA |
Geo-authentic habitats (道地产区) |
Inner Mongolia Autonomous Region |
Reference |
Chinese Pharmacopoeia (2015) |
Barcode ID |
ITSAM2511-14 |
Barcode Source |
BOLDSYSTEMS |
TCM Prescriptions with the Component
| Prescription ID | Prescription English Name | Prescription Chinese Name |
|---|---|---|
| TCMF1090 | Tian Jing Bu Shen Ointment | 添精补肾膏 |
| TCMF1096 | Hu Po Hai Jing Pills | 琥珀还睛丸 |
| TCMF11 | Bian Tong Tablets | 便通片 |
| TCMF1106 | Wen Wei Shu Capsule | 温胃舒胶囊 |
| TCMF1129 | Zhang Yan Ming Tablet | 障眼明片 |
| TCMF1335 | Longevity Powder | 龟龄集 |
| TCMF1447 | Bolus of Dendrobii for Poor Vision | 石斛夜光丸 |
| TCMF2115 | Longevity Powder | 龟龄集 |
| TCMF2174 | Kidney Nourishing Bolus | 滋肾蓉精丸 |
| TCMF219 | San Bao Capsule | 三宝胶囊 |
Showing 1 to 10 of 177 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 |
| TCMT127 | PARP1 | Poly [ADP-ribose] polymerase-1 | Transferase | P09874 |
| TCMT130 | ALOX5 | Arachidonate 5-lipoxygenase | Oxidoreductase | P09917 |
| TCMT133 | CA1 | Carbonic anhydrase I | Lyase | P00915 |
| TCMT134 | CA2 | Carbonic anhydrase II | Lyase | P00918 |
| TCMT135 | CA14 | Carbonic anhydrase XIV | Lyase | Q9ULX7 |
| TCMT136 | CA12 | Carbonic anhydrase XII | Lyase | O43570 |
| TCMT137 | CA9 | Carbonic anhydrase IX | Lyase | Q16790 |
Showing 1 to 10 of 47 entries
Targeted Pathogenic Microbes by the Ingredient of Component
| Target ID | Target Name |
|---|---|
| TCMT1088 | Carbonic anhydrase |
| TCMT1090 | Human immunodeficiency virus type 1 integrase |
| TCMT1104 | Sortase |
| TCMT1136 | Neuraminidase |
| TCMT1212 | Verticillium dahliae |
| TCMT1218 | Staphylococcus aureus |
| TCMT1226 | Klebsiella pneumoniae |
| TCMT1246 | Escherichia coli |
| TCMT1251 | Candida albicans |
| TCMT1253 | Penicillium chrysogenum |
Showing 1 to 10 of 13 entries
Ingredient Structrues
Ingredient ID: TCMC995
Formula: C35H60O6
Ingredient ID: TCMC995
| Common Name | Daucosterol |
| IUPAC Name | (2R,3R,4S,5S,6R)-2-[[(3S,8S,9S,10R,13R,14S,17R)-17-[(2R,5R)-5-ethyl-6-methylheptan-2-yl]-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl]oxy]-6-(hydroxymethyl)oxane-3,4,5-triol |
| Canonical SMILES | CC[C@@H](C(C)C)CC[C@H]([C@H]1CC[C@@H]2[C@]1(C)CC[C@H]1[C@H]2CC=C2[C@]1(C)CC[C@@H](C2)O[C@@H]1O[C@H](CO)[C@H]([C@@H]([C@H]1O)O)O)C |
| Standard InCHI | InChI=1S/C35H60O6/c1-7-22(20(2)3)9-8-21(4)26-12-13-27-25-11-10-23-18-24(14-16-34(23,5)28(25)15-17-35(26,27)6)40-33-32(39)31(38)30(37)29(19-36)41-33/h10,20-22,24-33,36-39H,7-9,11-19H2,1-6H3/t21-,22-,24+,25+,26-,27+,28+,29-,30-,31+,32-,33-,34+,35-/m1/s1 |
| Standard InCHIKey | NPJICTMALKLTFW-OFUAXYCQSA-N |
| External Identifiers | ChEMBL [CHEMBL506678]; PubChem [5742590]; |
| Reference of Component-Ingredient Pair | 16261518 |
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 |
| TCMH1032 | Impatiens balsamina | Ji Xing Zi | 急性子 |
| TCMH1033 | Centella asiatica | Ji Xue Cao | 积雪草 |
| TCMH1036 | Spatholobus suberectus | Ji Xue Teng | 鸡血藤 |
| TCMH1037 | Spatholobus suberectus | Ji Xue Teng Gan Gao | 鸡血藤干膏 |
| TCMH1038 | Spatholobus suberectus | Ji Xue Teng Gao | 鸡血藤膏 |
| TCMH1078 | Fructus gardeniae preparata | Jiao Shan Zhi | 焦山栀 |
| TCMH108 | Perilla frutescens | Bai Su Zi | 白苏子 |
Showing 1 to 10 of 223 entries
Ingredient ID: TCMC6665
Formula: C9H13ClO3
Ingredient ID: TCMC6665
| Common Name | Cistachlorin |
| IUPAC Name | (1R,4S,5R,7S,11S)-5-chloro-2,10-dioxatricyclo[5.3.1.04,11]undecan-4-ol |
| Canonical SMILES | Cl[C@@H]1C[C@H]2[C@H]3[C@]1(O)CO[C@H]3OCC2 |
| Standard InCHI | InChI=1S/C9H13ClO3/c10-6-3-5-1-2-12-8-7(5)9(6,11)4-13-8/h5-8,11H,1-4H2/t5-,6+,7+,8+,9-/m0/s1 |
| Standard InCHIKey | HYLRQTWCGVZFFU-CBHQDSPSSA-N |
| External Identifiers | ChEMBL [N/A]; PubChem [44205315]; |
| Reference of Component-Ingredient Pair | N/A |
Occurrence of the ingredient across TCM components
Ingredient ID: TCMC6664
Formula: C9H14O4
Ingredient ID: TCMC6664
| Common Name | Cistanin |
| IUPAC Name | (1R,4S,5R,7S,11S)-2,10-dioxatricyclo[5.3.1.04,11]undecane-4,5-diol |
| Canonical SMILES | O[C@@H]1C[C@H]2[C@H]3[C@]1(O)CO[C@H]3OCC2 |
| Standard InCHI | InChI=1S/C9H14O4/c10-6-3-5-1-2-12-8-7(5)9(6,11)4-13-8/h5-8,10-11H,1-4H2/t5-,6+,7+,8+,9-/m0/s1 |
| Standard InCHIKey | JEOPUSJCPYFSMM-CBHQDSPSSA-N |
| External Identifiers | ChEMBL [N/A]; PubChem [44205314]; |
| Reference of Component-Ingredient Pair | 26850348 |
Occurrence of the ingredient across TCM components
Ingredient ID: TCMC6536
Formula: C8H12O
Ingredient ID: TCMC6536
| Common Name | Bicyclo[2,2,2]Oct-5-En-2-Ol |
| IUPAC Name | (1S,2R,4S)-bicyclo[2.2.2]oct-5-en-2-ol |
| Canonical SMILES | O[C@@H]1C[C@@H]2CC[C@H]1C=C2 |
| Standard InCHI | InChI=1S/C8H12O/c9-8-5-6-1-3-7(8)4-2-6/h1,3,6-9H,2,4-5H2/t6-,7+,8+/m0/s1 |
| Standard InCHIKey | KEXYAVHJBNJUCG-XLPZGREQSA-N |
| External Identifiers | ChEMBL [N/A]; PubChem [21675470]; |
| Reference of Component-Ingredient Pair | N/A |
Occurrence of the ingredient across TCM components
Ingredient ID: TCMC6517
Formula: C37H48O21
Ingredient ID: TCMC6517
| Common Name | Tubuloside A |
| IUPAC Name | [(2R,3R,4S,5R,6R)-5-acetyloxy-6-[2-(3,4-dihydroxyphenyl)ethoxy]-2-[[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]-4-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-3-yl] (E)-3-(3,4-dihydroxyphenyl)prop-2-enoate |
| Canonical SMILES | OC[C@H]1O[C@@H](OC[C@H]2O[C@@H](OCCc3ccc(c(c3)O)O)[C@@H]([C@H]([C@@H]2OC(=O)/C=C/c2ccc(c(c2)O)O)O[C@@H]2O[C@@H](C)[C@@H]([C@H]([C@H]2O)O)O)OC(=O)C)[C@@H]([C@H]([C@@H]1O)O)O |
| Standard InCHI | InChI=1S/C37H48O21/c1-15-26(45)28(47)31(50)36(53-15)58-33-32(57-25(44)8-5-17-3-6-19(40)21(42)11-17)24(14-52-35-30(49)29(48)27(46)23(13-38)55-35)56-37(34(33)54-16(2)39)51-10-9-18-4-7-20(41)22(43)12-18/h3-8,11-12,15,23-24,26-38,40-43,45-50H,9-10,13-14H2,1-2H3/b8-5+/t15-,23+,24+,26-,27+,28+,29-,30+,31+,32+,33-,34+,35+,36-,37+/m0/s1 |
| Standard InCHIKey | KZLDMAIXPXOZCX-BBQAUMBQSA-N |
| External Identifiers | ChEMBL [N/A]; PubChem [21637830]; |
| Reference of Component-Ingredient Pair | 8996643 |
Occurrence of the ingredient across TCM components
Ingredient ID: TCMC6488
Formula: C15H24O8
Ingredient ID: TCMC6488
| Common Name | Gluroside |
| IUPAC Name | (2S,3R,4S,5S,6R)-2-[[(1S,4aR,7S,7aS)-7-hydroxy-7-methyl-4a,5,6,7a-tetrahydro-1H-cyclopenta[c]pyran-1-yl]oxy]-6-(hydroxymethyl)oxane-3,4,5-triol |
| Canonical SMILES | OC[C@H]1O[C@@H](O[C@@H]2OC=C[C@@H]3[C@H]2[C@@](C)(O)CC3)[C@@H]([C@H]([C@@H]1O)O)O |
| Standard InCHI | InChI=1S/C15H24O8/c1-15(20)4-2-7-3-5-21-13(9(7)15)23-14-12(19)11(18)10(17)8(6-16)22-14/h3,5,7-14,16-20H,2,4,6H2,1H3/t7-,8-,9-,10-,11+,12-,13+,14+,15+/m1/s1 |
| Standard InCHIKey | BBBYCKMTZMMVAZ-RICUOZJWSA-N |
| External Identifiers | ChEMBL [N/A]; PubChem [21633106]; |
| Reference of Component-Ingredient Pair | N/A |
Occurrence of the ingredient across TCM components
Ingredient ID: TCMC6487
Formula: C16H24O10
Ingredient ID: TCMC6487
| Common Name | Mussaenosidic Acid |
| IUPAC Name | (1S,4aS,7S,7aS)-7-hydroxy-7-methyl-1-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-4a,5,6,7a-tetrahydro-1H-cyclopenta[c]pyran-4-carboxylic acid |
| Canonical SMILES | OC[C@H]1O[C@@H](O[C@@H]2[O]=CC(=C([O-])[O-])[C@@H]3[C@H]2[C@@](C)(O)CC3)[C@@H]([C@H]([C@@H]1O)O)O |
| Standard InCHI | InChI=1S/C16H25O10/c1-16(23)3-2-6-7(13(21)22)5-24-14(9(6)16)26-15-12(20)11(19)10(18)8(4-17)25-15/h5-6,8-12,14-15,17-23H,2-4H2,1H3/p-2/t6-,8-,9-,10-,11+,12-,14+,15+,16+/m1/s1 |
| Standard InCHIKey | KJUKGAYNUQLTPG-NJPMDSMTSA-L |
| External Identifiers | ChEMBL [CHEMBL3426657]; PubChem [21633105]; |
| Reference of Component-Ingredient Pair | 14598223 |
Occurrence of the ingredient across TCM components
Ingredient ID: TCMC6481
Formula: C21H32O12
Ingredient ID: TCMC6481
| Common Name | Cistanoside E |
| IUPAC Name | (2S,3R,4R,5R,6S)-2-[(2R,3R,4S,5R,6R)-3,5-dihydroxy-2-[2-(4-hydroxy-3-methoxyphenyl)ethoxy]-6-(hydroxymethyl)oxan-4-yl]oxy-6-methyloxane-3,4,5-triol |
| Canonical SMILES | OC[C@H]1O[C@@H](OCCc2ccc(c(c2)OC)O)[C@@H]([C@H]([C@@H]1O)O[C@@H]1O[C@@H](C)[C@@H]([C@H]([C@H]1O)O)O)O |
| Standard InCHI | InChI=1S/C21H32O12/c1-9-14(24)16(26)17(27)21(31-9)33-19-15(25)13(8-22)32-20(18(19)28)30-6-5-10-3-4-11(23)12(7-10)29-2/h3-4,7,9,13-28H,5-6,8H2,1-2H3/t9-,13+,14-,15+,16+,17+,18+,19-,20+,21-/m0/s1 |
| Standard InCHIKey | KNVLNWLGXNQJNJ-MGXJDOAZSA-N |
| External Identifiers | ChEMBL [N/A]; PubChem [21632979]; |
| Reference of Component-Ingredient Pair | 17268115 |
Occurrence of the ingredient across TCM components
Ingredient ID: TCMC6476
Formula: C29H36O14
Ingredient ID: TCMC6476
| Common Name | Syringalide 3'-Α-L-Rhamnopyranoside |
| IUPAC Name | [(2R,3R,4R,5R,6R)-5-hydroxy-2-(hydroxymethyl)-6-[2-(4-hydroxyphenyl)ethoxy]-4-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-3-yl] (E)-3-(3,4-dihydroxyphenyl)prop-2-enoate |
| Canonical SMILES | OC[C@H]1O[C@@H](OCCc2ccc(cc2)O)[C@@H]([C@H]([C@@H]1OC(=O)/C=C/c1ccc(c(c1)O)O)O[C@@H]1O[C@@H](C)[C@@H]([C@H]([C@H]1O)O)O)O |
| Standard InCHI | InChI=1S/C29H36O14/c1-14-22(35)23(36)24(37)29(40-14)43-27-25(38)28(39-11-10-15-2-6-17(31)7-3-15)41-20(13-30)26(27)42-21(34)9-5-16-4-8-18(32)19(33)12-16/h2-9,12,14,20,22-33,35-38H,10-11,13H2,1H3/b9-5+/t14-,20+,22-,23+,24+,25+,26+,27+,28+,29-/m0/s1 |
| Standard InCHIKey | YWJRHENUFPWISM-SGIRGBCZSA-N |
| External Identifiers | ChEMBL [N/A]; PubChem [21629997]; |
| Reference of Component-Ingredient Pair | N/A |
Occurrence of the ingredient across TCM components
Ingredient ID: TCMC6475
Formula: C31H38O16
Ingredient ID: TCMC6475
| Common Name | 2'-Acetylacteoside |
| IUPAC Name | [(2R,3R,4S,5R,6R)-5-acetyloxy-6-[2-(3,4-dihydroxyphenyl)ethoxy]-2-(hydroxymethyl)-4-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-3-yl] (E)-3-(3,4-dihydroxyphenyl)prop-2-enoate |
| Canonical SMILES | OC[C@H]1O[C@@H](OCCc2ccc(c(c2)O)O)[C@@H]([C@H]([C@@H]1OC(=O)/C=C/c1ccc(c(c1)O)O)O[C@@H]1O[C@@H](C)[C@@H]([C@H]([C@H]1O)O)O)OC(=O)C |
| Standard InCHI | InChI=1S/C31H38O16/c1-14-24(39)25(40)26(41)30(43-14)47-28-27(46-23(38)8-5-16-3-6-18(34)20(36)11-16)22(13-32)45-31(29(28)44-15(2)33)42-10-9-17-4-7-19(35)21(37)12-17/h3-8,11-12,14,22,24-32,34-37,39-41H,9-10,13H2,1-2H3/b8-5+/t14-,22+,24-,25+,26+,27+,28-,29+,30-,31+/m0/s1 |
| Standard InCHIKey | ALERZNQPBWWLMW-OMRKUVHCSA-N |
| External Identifiers | ChEMBL [N/A]; PubChem [21629996]; |
| Reference of Component-Ingredient Pair | 25095374 |
Occurrence of the ingredient across TCM components
Ingredient ID: TCMC6454
Formula: C34H46O18
Ingredient ID: TCMC6454
| Common Name | Liriodendrin |
| IUPAC Name | (2S,3R,4S,5S,6R)-2-[4-[(3S,3aR,6S,6aR)-6-[3,5-dimethoxy-4-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]-1,3,3a,4,6,6a-hexahydrofuro[3,4-c]furan-3-yl]-2,6-dimethoxyphenoxy]-6-(hydroxymethyl)oxane-3,4,5-triol |
| Canonical SMILES | OC[C@H]1O[C@@H](Oc2c(OC)cc(cc2OC)[C@H]2OC[C@H]3[C@@H]2CO[C@@H]3c2cc(OC)c(c(c2)OC)O[C@@H]2O[C@H](CO)[C@H]([C@@H]([C@H]2O)O)O)[C@@H]([C@H]([C@@H]1O)O)O |
| Standard InCHI | InChI=1S/C34H46O18/c1-43-17-5-13(6-18(44-2)31(17)51-33-27(41)25(39)23(37)21(9-35)49-33)29-15-11-48-30(16(15)12-47-29)14-7-19(45-3)32(20(8-14)46-4)52-34-28(42)26(40)24(38)22(10-36)50-34/h5-8,15-16,21-30,33-42H,9-12H2,1-4H3/t15-,16-,21+,22+,23+,24+,25-,26-,27+,28+,29+,30+,33-,34-/m0/s1 |
| Standard InCHIKey | FFDULTAFAQRACT-XKBSQSBASA-N |
| External Identifiers | ChEMBL [CHEMBL445823]; PubChem [21603207]; |
| Reference of Component-Ingredient Pair | 20545195 |
Occurrence of the ingredient across TCM components
Ingredient ID: TCMC6198
Formula: C16H28O7
Ingredient ID: TCMC6198
| Common Name | 8-Hydroxygeraniol-1-Β-D-Glucopyranoside |
| IUPAC Name | (2R,3R,4S,5S,6R)-2-[(2E,6E)-8-hydroxy-3,7-dimethylocta-2,6-dienoxy]-6-(hydroxymethyl)oxane-3,4,5-triol |
| Canonical SMILES | OC/C(=C/CC/C(=C/CO[C@@H]1O[C@H](CO)[C@H]([C@@H]([C@H]1O)O)O)/C)/C |
| Standard InCHI | InChI=1S/C16H28O7/c1-10(4-3-5-11(2)8-17)6-7-22-16-15(21)14(20)13(19)12(9-18)23-16/h5-6,12-21H,3-4,7-9H2,1-2H3/b10-6+,11-5+/t12-,13-,14+,15-,16-/m1/s1 |
| Standard InCHIKey | XZHWSTJFHFQEOY-WIBXJVRESA-N |
| External Identifiers | ChEMBL [N/A]; PubChem [14729929]; |
| Reference of Component-Ingredient Pair | N/A |
Occurrence of the ingredient across TCM components
Ingredient ID: TCMC6197
Formula: C15H22O9
Ingredient ID: TCMC6197
| Common Name | 6-Deoxycatalpol |
| IUPAC Name | (2R,3S,4S,5R,6S)-2-(hydroxymethyl)-6-[[(1S,2S,4S,6R,10S)-2-(hydroxymethyl)-3,9-dioxatricyclo[4.4.0.02,4]dec-7-en-10-yl]oxy]oxane-3,4,5-triol |
| Canonical SMILES | OC[C@H]1O[C@@H](O[C@@H]2OC=C[C@@H]3[C@H]2[C@@]2(CO)O[C@H]2C3)[C@@H]([C@H]([C@@H]1O)O)O |
| Standard InCHI | InChI=1S/C15H22O9/c16-4-7-10(18)11(19)12(20)14(22-7)23-13-9-6(1-2-21-13)3-8-15(9,5-17)24-8/h1-2,6-14,16-20H,3-5H2/t6-,7+,8-,9+,10+,11-,12+,13-,14-,15-/m0/s1 |
| Standard InCHIKey | DHSHYQJABUIJDG-HXHBHVAVSA-N |
| External Identifiers | ChEMBL [N/A]; PubChem [14729927]; |
| Reference of Component-Ingredient Pair | 15304995 |
Occurrence of the ingredient across TCM components
Ingredient ID: TCMC614
Formula: C29H36O15
Ingredient ID: TCMC614
| Common Name | Acetoside |
| IUPAC Name | [(2R,3R,4R,5R,6R)-6-[2-(3,4-dihydroxyphenyl)ethoxy]-5-hydroxy-2-(hydroxymethyl)-4-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-3-yl] (E)-3-(3,4-dihydroxyphenyl)prop-2-enoate |
| Canonical SMILES | OC[C@H]1O[C@@H](OCCc2ccc(c(c2)O)O)[C@@H]([C@H]([C@@H]1OC(=O)/C=C/c1ccc(c(c1)O)O)O[C@@H]1O[C@@H](C)[C@@H]([C@H]([C@H]1O)O)O)O |
| Standard InCHI | InChI=1S/C29H36O15/c1-13-22(36)23(37)24(38)29(41-13)44-27-25(39)28(40-9-8-15-3-6-17(32)19(34)11-15)42-20(12-30)26(27)43-21(35)7-4-14-2-5-16(31)18(33)10-14/h2-7,10-11,13,20,22-34,36-39H,8-9,12H2,1H3/b7-4+/t13-,20+,22-,23+,24+,25+,26+,27+,28+,29-/m0/s1 |
| Standard InCHIKey | FBSKJMQYURKNSU-ZLSOWSIRSA-N |
| External Identifiers | ChEMBL [CHEMBL444478]; PubChem [5281800]; |
| Reference of Component-Ingredient Pair | 22723176 |
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 |
| TCMH1272 | Forsythia suspensa | Lian Qiao | 连翘 |
| TCMH1285 | Orobanche coerulescens | Lie Dang | 列当 |
| TCMH130 | Pinellia ternata | Ban Xia | 半夏 |
| TCMH131 | Pinellia ternata | Ban Xia Qu | 半夏曲 |
| TCMH1393 | Verbena officinalis | Ma Bian Cao | 马鞭草 |
| TCMH1466 | Rosa rugosa | Mei Gui Hua | 玫瑰花 |
| TCMH1487 | Buddleja officinalis | Mi Meng Hua | 密蒙花 |
| TCMH1571 | Daphniphyllum calycinum | Niu Er Feng | 牛耳枫 |
Showing 1 to 10 of 38 entries
Ingredient ID: TCMC5777
Formula: C20H30O12
Ingredient ID: TCMC5777
| Common Name | Decaffeoylacteoside |
| IUPAC Name | (2S,3R,4R,5R,6S)-2-[(2R,3R,4S,5R,6R)-2-[2-(3,4-dihydroxyphenyl)ethoxy]-3,5-dihydroxy-6-(hydroxymethyl)oxan-4-yl]oxy-6-methyloxane-3,4,5-triol |
| Canonical SMILES | OC[C@H]1O[C@@H](OCCc2ccc(c(c2)O)O)[C@@H]([C@H]([C@@H]1O)O[C@@H]1O[C@@H](C)[C@@H]([C@H]([C@H]1O)O)O)O |
| Standard InCHI | InChI=1S/C20H30O12/c1-8-13(24)15(26)16(27)20(30-8)32-18-14(25)12(7-21)31-19(17(18)28)29-5-4-9-2-3-10(22)11(23)6-9/h2-3,6,8,12-28H,4-5,7H2,1H3/t8-,12+,13-,14+,15+,16+,17+,18-,19+,20-/m0/s1 |
| Standard InCHIKey | DORPKYRPJIIARM-GYAWPQPFSA-N |
| External Identifiers | ChEMBL [CHEMBL1779146]; PubChem [11754080]; |
| Reference of Component-Ingredient Pair | N/A |
Occurrence of the ingredient across TCM components
Ingredient ID: TCMC5408
Formula: C29H36O13
Ingredient ID: TCMC5408
| Common Name | Osmanthuside B |
| IUPAC Name | [(2R,3R,4R,5R,6R)-5-hydroxy-2-(hydroxymethyl)-6-[2-(4-hydroxyphenyl)ethoxy]-4-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-3-yl] (E)-3-(4-hydroxyphenyl)prop-2-enoate |
| Canonical SMILES | OC[C@H]1O[C@@H](OCCc2ccc(cc2)O)[C@@H]([C@H]([C@@H]1OC(=O)/C=C/c1ccc(cc1)O)O[C@@H]1O[C@@H](C)[C@@H]([C@H]([C@H]1O)O)O)O |
| Standard InCHI | InChI=1S/C29H36O13/c1-15-22(34)23(35)24(36)29(39-15)42-27-25(37)28(38-13-12-17-4-9-19(32)10-5-17)40-20(14-30)26(27)41-21(33)11-6-16-2-7-18(31)8-3-16/h2-11,15,20,22-32,34-37H,12-14H2,1H3/b11-6+/t15-,20+,22-,23+,24+,25+,26+,27+,28+,29-/m0/s1 |
| Standard InCHIKey | PRTREKIVGSNQRM-DQHNYDBYSA-N |
| External Identifiers | ChEMBL [CHEMBL448999]; PubChem [10438425]; |
| Reference of Component-Ingredient Pair | 11410017 |
Occurrence of the ingredient across TCM components
Ingredient ID: TCMC5366
Formula: C15H22O8
Ingredient ID: TCMC5366
| Common Name | Bartsioside |
| IUPAC Name | (2S,3R,4S,5S,6R)-2-[[(1S,4aR,7aS)-7-(hydroxymethyl)-1,4a,5,7a-tetrahydrocyclopenta[c]pyran-1-yl]oxy]-6-(hydroxymethyl)oxane-3,4,5-triol |
| Canonical SMILES | OCC1=CC[C@H]2[C@@H]1[C@@H](OC=C2)O[C@@H]1O[C@H](CO)[C@H]([C@@H]([C@H]1O)O)O |
| Standard InCHI | InChI=1S/C15H22O8/c16-5-8-2-1-7-3-4-21-14(10(7)8)23-15-13(20)12(19)11(18)9(6-17)22-15/h2-4,7,9-20H,1,5-6H2/t7-,9-,10+,11-,12+,13-,14+,15+/m1/s1 |
| Standard InCHIKey | FCHJZJFIDNMNBS-CLBXSRGTSA-N |
| External Identifiers | ChEMBL [CHEMBL3622807]; PubChem [10359257]; |
| Reference of Component-Ingredient Pair | US7776915 |
Occurrence of the ingredient across TCM components
Ingredient ID: TCMC5233
Formula: C31H38O16
Ingredient ID: TCMC5233
| Common Name | Tubuloside B |
| IUPAC Name | [(2R,3R,4S,5R,6R)-5-acetyloxy-6-[2-(3,4-dihydroxyphenyl)ethoxy]-3-hydroxy-4-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-2-yl]methyl (E)-3-(3,4-dihydroxyphenyl)prop-2-enoate |
| Canonical SMILES | O=C(OC[C@H]1O[C@@H](OCCc2ccc(c(c2)O)O)[C@@H]([C@H]([C@@H]1O)O[C@@H]1O[C@@H](C)[C@@H]([C@H]([C@H]1O)O)O)OC(=O)C)/C=C/c1ccc(c(c1)O)O |
| Standard InCHI | InChI=1S/C31H38O16/c1-14-24(38)26(40)27(41)30(44-14)47-28-25(39)22(13-43-23(37)8-5-16-3-6-18(33)20(35)11-16)46-31(29(28)45-15(2)32)42-10-9-17-4-7-19(34)21(36)12-17/h3-8,11-12,14,22,24-31,33-36,38-41H,9-10,13H2,1-2H3/b8-5+/t14-,22+,24-,25+,26+,27+,28-,29+,30-,31+/m0/s1 |
| Standard InCHIKey | HFJIGXAMJFDVFR-OMRKUVHCSA-N |
| External Identifiers | ChEMBL [N/A]; PubChem [9831166]; |
| Reference of Component-Ingredient Pair | 24531006 |
Occurrence of the ingredient across TCM components
Ingredient ID: TCMC5202
Formula: C24H38O4
Ingredient ID: TCMC5202
| Common Name | Bis(2-Ethyl-Hexyl)-Phthalate |
| IUPAC Name | 1-O-[(2R)-2-ethylhexyl] 2-O-[(2S)-2-ethylhexyl] benzene-1,2-dicarboxylate |
| Canonical SMILES | CCCC[C@H](COC(=O)c1ccccc1C(=O)OC[C@H](CCCC)CC)CC |
| Standard InCHI | InChI=1S/C24H38O4/c1-5-9-13-19(7-3)17-27-23(25)21-15-11-12-16-22(21)24(26)28-18-20(8-4)14-10-6-2/h11-12,15-16,19-20H,5-10,13-14,17-18H2,1-4H3/t19-,20+ |
| Standard InCHIKey | BJQHLKABXJIVAM-BGYRXZFFSA-N |
| External Identifiers | ChEMBL [CHEMBL402794]; PubChem [7057919]; |
| Reference of Component-Ingredient Pair | 3355594 |
Occurrence of the ingredient across TCM components
Ingredient ID: TCMC5042
Formula: C15H24O9
Ingredient ID: TCMC5042
| Common Name | Ajugol |
| IUPAC Name | (2S,3R,4S,5S,6R)-2-[[(1S,4aR,5R,7S,7aS)-5,7-dihydroxy-7-methyl-4a,5,6,7a-tetrahydro-1H-cyclopenta[c]pyran-1-yl]oxy]-6-(hydroxymethyl)oxane-3,4,5-triol |
| Canonical SMILES | OC[C@H]1O[C@@H](O[C@@H]2OC=C[C@@H]3[C@H]2[C@@](C)(O)C[C@H]3O)[C@@H]([C@H]([C@@H]1O)O)O |
| Standard InCHI | InChI=1S/C15H24O9/c1-15(21)4-7(17)6-2-3-22-13(9(6)15)24-14-12(20)11(19)10(18)8(5-16)23-14/h2-3,6-14,16-21H,4-5H2,1H3/t6-,7+,8+,9+,10+,11-,12+,13-,14-,15-/m0/s1 |
| Standard InCHIKey | VELYAQRXBJLJAK-XKKWFBPMSA-N |
| External Identifiers | ChEMBL [CHEMBL3810218]; PubChem [6325127]; |
| Reference of Component-Ingredient Pair | 29058476 |
Occurrence of the ingredient across TCM components
Ingredient ID: TCMC4472
Formula: C31H40O15
Ingredient ID: TCMC4472
| Common Name | Cistanoside D |
| IUPAC Name | [(2R,3R,4R,5R,6R)-5-hydroxy-6-[2-(4-hydroxy-3-methoxyphenyl)ethoxy]-2-(hydroxymethyl)-4-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-3-yl] (E)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoate |
| Canonical SMILES | OC[C@H]1O[C@@H](OCCc2ccc(c(c2)OC)O)[C@@H]([C@H]([C@@H]1OC(=O)/C=C/c1ccc(c(c1)OC)O)O[C@@H]1O[C@@H](C)[C@@H]([C@H]([C@H]1O)O)O)O |
| Standard InCHI | InChI=1S/C31H40O15/c1-15-24(36)25(37)26(38)31(43-15)46-29-27(39)30(42-11-10-17-5-8-19(34)21(13-17)41-3)44-22(14-32)28(29)45-23(35)9-6-16-4-7-18(33)20(12-16)40-2/h4-9,12-13,15,22,24-34,36-39H,10-11,14H2,1-3H3/b9-6+/t15-,22+,24-,25+,26+,27+,28+,29+,30+,31-/m0/s1 |
| Standard InCHIKey | RLGRBYHBNWLGER-CNMJWYMJSA-N |
| External Identifiers | ChEMBL [CHEMBL1714031]; PubChem [5315930]; |
| Reference of Component-Ingredient Pair | 16268507 |
Occurrence of the ingredient across TCM components
Ingredient ID: TCMC4471
Formula: C30H38O15
Ingredient ID: TCMC4471
| Common Name | Cistanoside C |
| IUPAC Name | [(2R,3R,4R,5R,6R)-5-hydroxy-6-[2-(4-hydroxy-3-methoxyphenyl)ethoxy]-2-(hydroxymethyl)-4-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-3-yl] (E)-3-(3,4-dihydroxyphenyl)prop-2-enoate |
| Canonical SMILES | OC[C@H]1O[C@@H](OCCc2ccc(c(c2)OC)O)[C@@H]([C@H]([C@@H]1OC(=O)/C=C/c1ccc(c(c1)O)O)O[C@@H]1O[C@@H](C)[C@@H]([C@H]([C@H]1O)O)O)O |
| Standard InCHI | InChI=1S/C30H38O15/c1-14-23(36)24(37)25(38)30(42-14)45-28-26(39)29(41-10-9-16-4-7-18(33)20(12-16)40-2)43-21(13-31)27(28)44-22(35)8-5-15-3-6-17(32)19(34)11-15/h3-8,11-12,14,21,23-34,36-39H,9-10,13H2,1-2H3/b8-5+/t14-,21+,23-,24+,25+,26+,27+,28+,29+,30-/m0/s1 |
| Standard InCHIKey | SUNMCVVGOLDIKD-CPPDSBOHSA-N |
| External Identifiers | ChEMBL [N/A]; PubChem [5315929]; |
| Reference of Component-Ingredient Pair | 16268507 |
Occurrence of the ingredient across TCM components
Ingredient ID: TCMC4447
Formula: C15H24O
Ingredient ID: TCMC4447
| Common Name | 2,6-Bis(1,1-Dimethylethyl)-4-Methyl Phenol |
| IUPAC Name | 4-methyl-2,6-bis(2-methylpropyl)phenol |
| Canonical SMILES | CC(Cc1cc(C)cc(c1O)CC(C)C)C |
| Standard InCHI | InChI=1S/C15H24O/c1-10(2)6-13-8-12(5)9-14(15(13)16)7-11(3)4/h8-11,16H,6-7H2,1-5H3 |
| Standard InCHIKey | FAVZTHXOOBZCOB-UHFFFAOYSA-N |
| External Identifiers | ChEMBL [N/A]; PubChem [5315473]; |
| Reference of Component-Ingredient Pair | N/A |
Occurrence of the ingredient across TCM components
Ingredient ID: TCMC4025
Formula: C29H58O
Ingredient ID: TCMC4025
| Common Name | 2-Nonacosanone |
| IUPAC Name | nonacosan-2-one |
| Canonical SMILES | CCCCCCCCCCCCCCCCCCCCCCCCCCCC(=O)C |
| Standard InCHI | InChI=1S/C29H58O/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-26-27-28-29(2)30/h3-28H2,1-2H3 |
| Standard InCHIKey | LSNQHUIPBPTUCQ-UHFFFAOYSA-N |
| External Identifiers | ChEMBL [N/A]; PubChem [547858]; |
| Reference of Component-Ingredient Pair | 19346242 |
Occurrence of the ingredient across TCM components
Ingredient ID: TCMC3966
Formula: C29H50O
Ingredient ID: TCMC3966
| Common Name | Sitosterol,Β-Sitosterol |
| IUPAC Name | (3S,8S,9S,10R,13R,14S,17R)-17-[(2R,5S)-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-FBZNIEFRSA-N |
| External Identifiers | ChEMBL [CHEMBL221542]; PubChem [457801]; |
| Reference of Component-Ingredient Pair | 23115546 |
Occurrence of the ingredient across TCM components
| Component ID | Latin Name | Pinyin Name | Chinese Name |
|---|---|---|---|
| TCMH104 | Paeonia lactiflora | Bai Shao | 白芍 |
| 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 |
| TCMH121 | Biota orientalis | Bai Zi Ren | 柏子仁 |
| TCMH127 | Isatis indigotica | Ban Lan Gen | 板蓝根 |
| TCMH130 | Pinellia ternata | Ban Xia | 半夏 |
| TCMH1359 | Pyrola calliantha | Lu Xian Cao | 鹿衔草 |
| TCMH1368 | Apocyni veneti folium | Luo Bu Ma Ye | 罗布麻叶 |
| TCMH1376 | Trachelospermum jasminoides | Luo Shi Teng | 络石藤 |
Showing 1 to 10 of 71 entries
Ingredient ID: TCMC3947
Formula: C16H22O10
Ingredient ID: TCMC3947
| Common Name | Geniposidic Acid |
| IUPAC Name | (1S,4aS,7aS)-7-(hydroxymethyl)-1-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-1,4a,5,7a-tetrahydrocyclopenta[c]pyran-4-carboxylic acid |
| Canonical SMILES | OC[C@H]1O[C@@H](O[C@@H]2[O]=CC(=C([O-])[O-])[C@@H]3[C@H]2C(=CC3)CO)[C@@H]([C@H]([C@@H]1O)O)O |
| Standard InCHI | InChI=1S/C16H23O10/c17-3-6-1-2-7-8(14(22)23)5-24-15(10(6)7)26-16-13(21)12(20)11(19)9(4-18)25-16/h1,5,7,9-13,15-23H,2-4H2/p-2/t7-,9-,10-,11-,12+,13-,15+,16+/m1/s1 |
| Standard InCHIKey | GUEINUYMYNJABN-OGJQONSISA-L |
| External Identifiers | ChEMBL [CHEMBL460031]; PubChem [443354]; |
| Reference of Component-Ingredient Pair | 28933124 |
Occurrence of the ingredient across TCM components
Ingredient ID: TCMC3945
Formula: C16H24O9
Ingredient ID: TCMC3945
| Common Name | 7-Deoxy-8-Epi-Loganic Acid |
| IUPAC Name | (1S,4aS,7R,7aR)-7-methyl-1-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-1,4a,5,6,7,7a-hexahydrocyclopenta[c]pyran-4-carboxylic acid |
| Canonical SMILES | OC[C@H]1O[C@@H](O[C@@H]2[O]=CC(=C([O-])[O-])[C@@H]3[C@H]2[C@H](C)CC3)[C@@H]([C@H]([C@@H]1O)O)O |
| Standard InCHI | InChI=1S/C16H25O9/c1-6-2-3-7-8(14(21)22)5-23-15(10(6)7)25-16-13(20)12(19)11(18)9(4-17)24-16/h5-7,9-13,15-22H,2-4H2,1H3/p-2/t6-,7-,9-,10-,11-,12+,13-,15+,16+/m1/s1 |
| Standard InCHIKey | GWEOAAFKWRBQAI-PKUPRILXSA-L |
| External Identifiers | ChEMBL [N/A]; PubChem [443332]; |
| Reference of Component-Ingredient Pair | 21598543 |
Occurrence of the ingredient across TCM components
Ingredient ID: TCMC3555
Formula: C16H24O10
Ingredient ID: TCMC3555
| Common Name | 8-Epiloganic Acid |
| IUPAC Name | (1S,4aS,6S,7S,7aS)-6-hydroxy-7-methyl-1-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-1,4a,5,6,7,7a-hexahydrocyclopenta[c]pyran-4-carboxylic acid |
| Canonical SMILES | OC[C@H]1O[C@@H](O[C@@H]2[O]=CC(=C([O-])[O-])[C@@H]3[C@H]2[C@H](C)[C@H](C3)O)[C@@H]([C@H]([C@@H]1O)O)O |
| Standard InCHI | InChI=1S/C16H25O10/c1-5-8(18)2-6-7(14(22)23)4-24-15(10(5)6)26-16-13(21)12(20)11(19)9(3-17)25-16/h4-6,8-13,15-23H,2-3H2,1H3/p-2/t5-,6-,8+,9-,10-,11-,12+,13-,15+,16+/m1/s1 |
| Standard InCHIKey | MXWXFWCEHCBKNU-OZFVSFPVSA-L |
| External Identifiers | ChEMBL [CHEMBL1079678]; PubChem [158144]; |
| Reference of Component-Ingredient Pair | 28467948 |
Occurrence of the ingredient across TCM components
Ingredient ID: TCMC3540
Formula: C16H24O8
Ingredient ID: TCMC3540
| Common Name | Boschnaloside |
| IUPAC Name | (1S,4aS,7R,7aR)-7-methyl-1-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-1,4a,5,6,7,7a-hexahydrocyclopenta[c]pyran-4-carbaldehyde |
| Canonical SMILES | [O-]C=C1C=[O][C@H]([C@H]2[C@@H]1CC[C@H]2C)O[C@@H]1O[C@H](CO)[C@H]([C@@H]([C@H]1O)O)O |
| Standard InCHI | InChI=1S/C16H25O8/c1-7-2-3-9-8(4-17)6-22-15(11(7)9)24-16-14(21)13(20)12(19)10(5-18)23-16/h4,6-7,9-21H,2-3,5H2,1H3/p-1/t7-,9-,10-,11-,12-,13+,14-,15+,16+/m1/s1 |
| Standard InCHIKey | CTJIQKOZEJUUKR-XLOWEYQUSA-M |
| External Identifiers | ChEMBL [CHEMBL3622813]; PubChem [155942]; |
| Reference of Component-Ingredient Pair | 24547772 |
Occurrence of the ingredient across TCM components
Ingredient ID: TCMC3508
Formula: C9H9N
Ingredient ID: TCMC3508
| Common Name | 6-Methyl Indole |
| IUPAC Name | 6-methyl-1H-indole |
| Canonical SMILES | Cc1ccc2c(c1)[nH]cc2 |
| Standard InCHI | InChI=1S/C9H9N/c1-7-2-3-8-4-5-10-9(8)6-7/h2-6,10H,1H3 |
| Standard InCHIKey | ONYNOPPOVKYGRS-UHFFFAOYSA-N |
| External Identifiers | ChEMBL [N/A]; PubChem [137928]; |
| Reference of Component-Ingredient Pair | 12723622 |
Occurrence of the ingredient across TCM components
Ingredient ID: TCMC3225
Formula: C30H62O
Ingredient ID: TCMC3225
| Common Name | Triacontanol,Thea Alcohol A |
| IUPAC Name | triacontan-1-ol |
| Canonical SMILES | CCCCCCCCCCCCCCCCCCCCCCCCCCCCCCO |
| Standard InCHI | InChI=1S/C30H62O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-26-27-28-29-30-31/h31H,2-30H2,1H3 |
| Standard InCHIKey | REZQBEBOWJAQKS-UHFFFAOYSA-N |
| External Identifiers | ChEMBL [CHEMBL1079147]; PubChem [68972]; |
| Reference of Component-Ingredient Pair | 22518320 |
Occurrence of the ingredient across TCM components
| Component ID | Latin Name | Pinyin Name | Chinese Name |
|---|---|---|---|
| TCMH1368 | Apocyni veneti folium | Luo Bu Ma Ye | 罗布麻叶 |
| TCMH1398 | Ephedra sinica | Ma Huang | 麻黄 |
| TCMH1740 | Cistanche deserticola | Rou Cong Rong | 肉苁蓉 |
| TCMH1813 | Asarum sagittarioides | Shan Ci Gu | 山慈菇 |
| TCMH2297 | Cirsium setosum | Xiao Ji | 小蓟 |
| TCMH524 | Eucommia ulmoides | Du Zhong | 杜仲 |
Showing 1 to 6 of 6 entries
Ingredient ID: TCMC3122
Formula: C9H20
Ingredient ID: TCMC3122
| Common Name | 3-Methyl-3-Ethylhexane |
| IUPAC Name | 3-ethyl-3-methylhexane |
| Canonical SMILES | CCCC(CC)(CC)C |
| Standard InCHI | InChI=1S/C9H20/c1-5-8-9(4,6-2)7-3/h5-8H2,1-4H3 |
| Standard InCHIKey | CYWROHZCELEGSE-UHFFFAOYSA-N |
| External Identifiers | ChEMBL [N/A]; PubChem [18313]; |
| Reference of Component-Ingredient Pair | N/A |
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: 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: TCMC2969
Formula: C20H42
Ingredient ID: TCMC2969
| Common Name | Eicosane |
| IUPAC Name | icosane |
| Canonical SMILES | CCCCCCCCCCCCCCCCCCCC |
| Standard InCHI | InChI=1S/C20H42/c1-3-5-7-9-11-13-15-17-19-20-18-16-14-12-10-8-6-4-2/h3-20H2,1-2H3 |
| Standard InCHIKey | CBFCDTFDPHXCNY-UHFFFAOYSA-N |
| External Identifiers | ChEMBL [N/A]; PubChem [8222]; |
| Reference of Component-Ingredient Pair | 22901681 |
Occurrence of the ingredient across TCM components
Ingredient ID: TCMC2277
Formula: C29H34O15
Ingredient ID: TCMC2277
| Common Name | Crenatoside |
| IUPAC Name | [(2S,4aR,6R,7R,8S,8aR)-2-(3,4-dihydroxyphenyl)-6-(hydroxymethyl)-8-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxy-3,4a,6,7,8,8a-hexahydro-2H-pyrano[2,3-b][1,4]dioxin-7-yl] (E)-3-(3,4-dihydroxyphenyl)prop-2-enoate |
| Canonical SMILES | OC[C@H]1O[C@H]2OC[C@@H](O[C@@H]2[C@H]([C@@H]1OC(=O)/C=C/c1ccc(c(c1)O)O)O[C@@H]1O[C@@H](C)[C@@H]([C@H]([C@H]1O)O)O)c1ccc(c(c1)O)O |
| Standard InCHI | InChI=1S/C29H34O15/c1-12-22(36)23(37)24(38)28(40-12)44-26-25(43-21(35)7-3-13-2-5-15(31)17(33)8-13)19(10-30)42-29-27(26)41-20(11-39-29)14-4-6-16(32)18(34)9-14/h2-9,12,19-20,22-34,36-38H,10-11H2,1H3/b7-3+/t12-,19+,20+,22-,23+,24+,25+,26-,27+,28-,29+/m0/s1 |
| Standard InCHIKey | FPOYEEKZOOLVJA-WLLRULDYSA-N |
| External Identifiers | ChEMBL [CHEMBL451273]; PubChem [44593361]; |
| 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 |
| TCMH1285 | Orobanche coerulescens | Lie Dang | 列当 |
| TCMH1740 | Cistanche deserticola | Rou Cong Rong | 肉苁蓉 |
| TCMH2137 | Pogostemon cablin | Tu Huo Xiang | 土藿香 |
| TCMH240 | Plantago depressa | Che Qian Cao | 车前草 |
| TCMH241 | Plantago asiatica | Che Qian Zi | 车前子 |
| TCMH519 | Pogostemon cablin | Du Huo Xiang | 杜藿香 |
| TCMH728 | Pogostemon cablin | Guang Huo Xiang | 广藿香 |
Showing 1 to 9 of 9 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: TCMC2200
Formula: C9H11NO3
Ingredient ID: TCMC2200
| Common Name | Tyrosine |
| IUPAC Name | (2S)-2-amino-3-(4-hydroxyphenyl)propanoic acid |
| Canonical SMILES | OC(=O)[C@H](Cc1ccc(cc1)O)N |
| Standard InCHI | InChI=1S/C9H11NO3/c10-8(9(12)13)5-6-1-3-7(11)4-2-6/h1-4,8,11H,5,10H2,(H,12,13)/t8-/m0/s1 |
| Standard InCHIKey | OUYCCCASQSFEME-QMMMGPOBSA-N |
| External Identifiers | ChEMBL [CHEMBL925]; PubChem [6057]; |
| 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 |
| TCMH1155 | Allium tuberosum | Jiu Cai | 韭菜 |
| TCMH1176 | Allium tuberosum | Jiu Zi | 韭子 |
| TCMH1197 | Selaginella tamariscina | Juan Bai | 卷柏 |
| TCMH1294 | Cornu saigae tataricae | Ling Yang Jiao | 羚羊角 |
| TCMH1296 | Ganoderma lucidum | Ling Zhi Jin Gao | 灵芝浸膏 |
| TCMH1299 | Ganoderma lucidum | Ling Zhi(1) | 灵芝 |
| 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 |
Showing 1 to 10 of 29 entries
Ingredient ID: TCMC2120
Formula: C17H24O9
Ingredient ID: TCMC2120
| Common Name | Syringin |
| IUPAC Name | (2R,3S,4S,5R,6S)-2-(hydroxymethyl)-6-[4-[(E)-3-hydroxyprop-1-enyl]-2,6-dimethoxyphenoxy]oxane-3,4,5-triol |
| Canonical SMILES | OC/C=C/c1cc(OC)c(c(c1)OC)O[C@@H]1O[C@H](CO)[C@H]([C@@H]([C@H]1O)O)O |
| Standard InCHI | InChI=1S/C17H24O9/c1-23-10-6-9(4-3-5-18)7-11(24-2)16(10)26-17-15(22)14(21)13(20)12(8-19)25-17/h3-4,6-7,12-15,17-22H,5,8H2,1-2H3/b4-3+/t12-,13-,14+,15-,17+/m1/s1 |
| Standard InCHIKey | QJVXKWHHAMZTBY-GCPOEHJPSA-N |
| External Identifiers | ChEMBL [CHEMBL250872]; PubChem [5316860]; |
| Reference of Component-Ingredient Pair | N/A |
Occurrence of the ingredient across TCM components
| Component ID | Latin Name | Pinyin Name | Chinese Name |
|---|---|---|---|
| TCMH1039 | Kummerowia striata | Ji Yan Cao | 鸡眼草 |
| TCMH1127 | Lonicera japonica | Jin Yin Hua | 金银花 |
| TCMH1128 | Lonicera japonica | Jin Yin Hua Ti Qu Ye | 金银花提取液 |
| TCMH1154 | Ilex rotunda | Jiu Bi Ying | 救必应 |
| TCMH138 | Syringa reticulata | Bao Ma Zi Pi | 暴马子皮 |
| TCMH1452 | Gerbera piloselloides | Mao Da Ding Cao | 毛大丁草 |
| TCMH147 | Glehnia littoralis | Bei Sha Shen | 北沙参 |
| TCMH148 | Glehnia littoralis | Bei Sha Shen Liu Jin Gao | 北沙参流浸膏 |
| TCMH160 | Piper cubeba | Bi Cheng Qie | 毕澄茄 |
| TCMH1656 | Angelica decursiva | Qian Hu | 前胡 |
Showing 1 to 10 of 42 entries
Ingredient ID: TCMC2117
Formula: C22H26O8
Ingredient ID: TCMC2117
| Common Name | Syringaresinol |
| IUPAC Name | 4-[(3S,3aR,6S,6aR)-6-(4-hydroxy-3,5-dimethoxyphenyl)-1,3,3a,4,6,6a-hexahydrofuro[3,4-c]furan-3-yl]-2,6-dimethoxyphenol |
| Canonical SMILES | COc1cc(cc(c1O)OC)[C@H]1OC[C@H]2[C@@H]1CO[C@@H]2c1cc(OC)c(c(c1)OC)O |
| Standard InCHI | InChI=1S/C22H26O8/c1-25-15-5-11(6-16(26-2)19(15)23)21-13-9-30-22(14(13)10-29-21)12-7-17(27-3)20(24)18(8-12)28-4/h5-8,13-14,21-24H,9-10H2,1-4H3/t13-,14-,21+,22+/m0/s1 |
| Standard InCHIKey | KOWMJRJXZMEZLD-HCIHMXRSSA-N |
| External Identifiers | ChEMBL [CHEMBL361362]; PubChem [443023]; |
| Reference of Component-Ingredient Pair | 23444043 |
Occurrence of the ingredient across TCM components
| Component ID | Latin Name | Pinyin Name | Chinese Name |
|---|---|---|---|
| TCMH1086 | Sambucus williamsii | Jie Gu Mu | 接骨木 |
| TCMH1322 | Solanum nigrum | Long Kui | 龙葵 |
| TCMH143 | Albizia julibrissin | Bei He Huan | 北合欢 |
| TCMH1460 | Zanthoxylum nitidum | Mao Liang Mian Zhen | 毛两面针 |
| TCMH149 | Lepidium apetalum | Bei Ting Li Zi | 北葶苈子 |
| TCMH1680 | Sinomenium acutum | Qing Feng Teng | 青风藤 |
| TCMH1740 | Cistanche deserticola | Rou Cong Rong | 肉苁蓉 |
| 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 32 entries
Ingredient ID: TCMC2111
Formula: C4H6O4
Ingredient ID: TCMC2111
| Common Name | Succinic Acid |
| IUPAC Name | butanedioic acid |
| Canonical SMILES | OC(=O)CCC(=O)O |
| Standard InCHI | InChI=1S/C4H6O4/c5-3(6)1-2-4(7)8/h1-2H2,(H,5,6)(H,7,8) |
| Standard InCHIKey | KDYFGRWQOYBRFD-UHFFFAOYSA-N |
| External Identifiers | ChEMBL [CHEMBL576]; PubChem [1110]; |
| 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 |
| TCMH101 | Chelidonium majus | Bai Qu Cai | 白屈菜 |
| TCMH103 | Thesium chinense | Bai Rui Cao | 百蕊草 |
| TCMH1033 | Centella asiatica | Ji Xue Cao | 积雪草 |
| TCMH1036 | Spatholobus suberectus | Ji Xue Teng | 鸡血藤 |
| TCMH1037 | Spatholobus suberectus | Ji Xue Teng Gan Gao | 鸡血藤干膏 |
| TCMH1038 | Spatholobus suberectus | Ji Xue Teng Gao | 鸡血藤膏 |
| TCMH1117 | Rhizoma fagopyri cymosi | Jin Qiao Mai | 金荞麦 |
| TCMH1122 | Psammosilene tunicoides | Jin Tie Suo | 金铁锁 |
Showing 1 to 10 of 90 entries
Ingredient ID: TCMC2105
Formula: C18H36O2
Ingredient ID: TCMC2105
| Common Name | Stearic Acid |
| IUPAC Name | octadecanoic acid |
| Canonical SMILES | CCCCCCCCCCCCCCCCCC(=O)O |
| Standard InCHI | InChI=1S/C18H36O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20/h2-17H2,1H3,(H,19,20) |
| Standard InCHIKey | QIQXTHQIDYTFRH-UHFFFAOYSA-N |
| External Identifiers | ChEMBL [CHEMBL46403]; PubChem [5281]; |
| Reference of Component-Ingredient Pair | 29968805 |
Occurrence of the ingredient across TCM components
| Component ID | Latin Name | Pinyin Name | Chinese Name |
|---|---|---|---|
| TCMH1005 | Cannabis sativa | Huo Ma Ren | 火麻仁 |
| TCMH1008 | Pogostemon cablin | Huo Xiang | 藿香 |
| TCMH1009 | Pogostemon cablin | Huo Xiang Ye | 藿香叶 |
| TCMH1033 | Centella asiatica | Ji Xue Cao | 积雪草 |
| TCMH1063 | Curcuma longa | Jiang Huang | 姜黄 |
| TCMH108 | Perilla frutescens | Bai Su Zi | 白苏子 |
| TCMH1105 | Trollius chinensis | Jin Lian Hua | 金莲花 |
| TCMH1111 | Polygala glomerata | Jin Niu Cao | 金牛草 |
| TCMH114 | Platycladus orientalis | Bai Ye | 柏叶 |
| TCMH1142 | Schizonepetae spica | Jing Jie Sui | 荆芥穗 |
Showing 1 to 10 of 176 entries
Ingredient ID: TCMC2062
Formula: C3H7NO3
Ingredient ID: TCMC2062
| Common Name | Serine |
| IUPAC Name | (2S)-2-azaniumyl-3-hydroxypropanoate |
| Canonical SMILES | OC[C@@H](C(=O)O)N |
| Standard InCHI | InChI=1S/C3H7NO3/c4-2(1-5)3(6)7/h2,5H,1,4H2,(H,6,7)/t2-/m0/s1 |
| Standard InCHIKey | MTCFGRXMJLQNBG-REOHCLBHSA-N |
| External Identifiers | ChEMBL [CHEMBL11298]; PubChem [6857581]; |
| Reference of Component-Ingredient Pair | 21979954 |
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 |
| 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 |
| TCMH1677 | Pinellia ternata | Qing Ban Xia | 清半夏 |
| TCMH1734 | Homo sapiens | Ren Zhong Bai | 人中白 |
| TCMH1740 | Cistanche deserticola | Rou Cong Rong | 肉苁蓉 |
Showing 1 to 10 of 28 entries
Ingredient ID: TCMC201
Formula: C35H46O20
Ingredient ID: TCMC201
| Common Name | [(2R,3R,4R,5R,6R)-6-[2-(3,4-Dihydroxyphenyl)Ethoxy]-5-Hydroxy-2-[[(2R,3R,4S,5S,6R)-3,4,5-Trihydroxy-6-(Hydroxymethyl)Oxan-2-Yl]Oxymethyl]-4-[(2S,3R,4R,5R,6S)-3,4,5-Trihydroxy-6-Methyloxan-2-Yl]Oxyoxan-3-Yl] (E)-3-(3,4-Dihydroxyphenyl)Prop-2-Enoate |
| IUPAC Name | [(2R,3R,4R,5R,6R)-6-[2-(3,4-dihydroxyphenyl)ethoxy]-5-hydroxy-2-[[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]-4-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-3-yl] (E)-3-(3,4-dihydroxyphenyl)prop-2-enoate |
| Canonical SMILES | OC[C@H]1O[C@@H](OC[C@H]2O[C@@H](OCCc3ccc(c(c3)O)O)[C@@H]([C@H]([C@@H]2OC(=O)/C=C/c2ccc(c(c2)O)O)O[C@@H]2O[C@@H](C)[C@@H]([C@H]([C@H]2O)O)O)O)[C@@H]([C@H]([C@@H]1O)O)O |
| Standard InCHI | InChI=1S/C35H46O20/c1-14-24(42)26(44)29(47)35(51-14)55-32-30(48)34(49-9-8-16-3-6-18(38)20(40)11-16)53-22(13-50-33-28(46)27(45)25(43)21(12-36)52-33)31(32)54-23(41)7-4-15-2-5-17(37)19(39)10-15/h2-7,10-11,14,21-22,24-40,42-48H,8-9,12-13H2,1H3/b7-4+/t14-,21+,22+,24-,25+,26+,27-,28+,29+,30+,31+,32+,33+,34+,35-/m0/s1 |
| Standard InCHIKey | FSBUXLDOLNLABB-ISAKITKMSA-N |
| External Identifiers | ChEMBL [CHEMBL510539]; PubChem [5281771]; |
| Reference of Component-Ingredient Pair | 29213352 |
Occurrence of the ingredient across TCM components
| Component ID | Latin Name | Pinyin Name | Chinese Name |
|---|---|---|---|
| TCMH1466 | Rosa rugosa | Mei Gui Hua | 玫瑰花 |
| TCMH1740 | Cistanche deserticola | Rou Cong Rong | 肉苁蓉 |
| TCMH1966 | Rehmannia glutinosa | Shu Di Huang | 熟地黄 |
| TCMH451 | Rehmannia glutinosa | Di Huang | 地黄 |
| TCMH453 | Rehmannia glutinosa | Di Huang Tan | 地黄炭 |
| TCMH643 | Rehmannia glutinosa | Gan Di Huang | 干地黄 |
| TCMH8 | Rehmannia glutinosa | Ai Di Huang | 矮地黄 |
Showing 1 to 7 of 7 entries
Ingredient ID: TCMC1920
Formula: C35H46O19
Ingredient ID: TCMC1920
| Common Name | Poliumoside |
| IUPAC Name | [(2R,3R,4R,5R,6R)-6-[2-(3,4-dihydroxyphenyl)ethoxy]-5-hydroxy-4-[(2R,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxy-2-[[(2R,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxymethyl]oxan-3-yl] (E)-3-(3,4-dihydroxyphenyl)prop-2-enoate |
| Canonical SMILES | O=C(O[C@@H]1[C@@H](CO[C@@H]2O[C@@H](C)[C@@H]([C@H]([C@H]2O)O)O)O[C@H]([C@@H]([C@H]1O[C@@H]1O[C@@H](C)[C@@H]([C@H]([C@H]1O)O)O)O)OCCc1ccc(c(c1)O)O)/C=C/c1ccc(c(c1)O)O |
| Standard InCHI | InChI=1S/C35H46O19/c1-14-24(41)26(43)28(45)33(50-14)49-13-22-31(53-23(40)8-5-16-3-6-18(36)20(38)11-16)32(54-35-29(46)27(44)25(42)15(2)51-35)30(47)34(52-22)48-10-9-17-4-7-19(37)21(39)12-17/h3-8,11-12,14-15,22,24-39,41-47H,9-10,13H2,1-2H3/b8-5+/t14-,15-,22+,24-,25-,26+,27+,28+,29+,30+,31+,32+,33+,34+,35-/m0/s1 |
| Standard InCHIKey | YMWRMAOPKNYHMZ-LLVTZOIGSA-N |
| External Identifiers | ChEMBL [CHEMBL499145]; PubChem [10373017]; |
| Reference of Component-Ingredient Pair | N/A |
Occurrence of the ingredient across TCM components
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: TCMC1742
Formula: C6H6N2O
Ingredient ID: TCMC1742
| Common Name | Niacinamide |
| IUPAC Name | pyridine-3-carboxamide |
| Canonical SMILES | OC(=N)c1cccnc1 |
| Standard InCHI | InChI=1S/C6H6N2O/c7-6(9)5-2-1-3-8-4-5/h1-4H,(H2,7,9) |
| Standard InCHIKey | DFPAKSUCGFBDDF-UHFFFAOYSA-N |
| External Identifiers | ChEMBL [CHEMBL1140]; PubChem [936]; |
| Reference of Component-Ingredient Pair | 29968805 |
Occurrence of the ingredient across TCM components
| Component ID | Latin Name | Pinyin Name | Chinese Name |
|---|---|---|---|
| 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 |
| TCMH1740 | Cistanche deserticola | Rou Cong Rong | 肉苁蓉 |
| TCMH1894 | Pinellia ternata | Sheng Ban Xia | 生半夏 |
| TCMH2226 | Stigma croci | Xi Hong Hua | 西红花 |
| TCMH2624 | Anemarrhena asphodeloides | Zhi Mu | 知母 |
| TCMH2710 | Homo sapiens | Zi He Che | 紫河车 |
Showing 1 to 9 of 9 entries
Ingredient ID: TCMC1535
Formula: C6H14O6
Ingredient ID: TCMC1535
| Common Name | Mannitol |
| IUPAC Name | (2R,3R,4R,5R)-hexane-1,2,3,4,5,6-hexol |
| Canonical SMILES | OC[C@H]([C@H]([C@@H]([C@@H](CO)O)O)O)O |
| Standard InCHI | InChI=1S/C6H14O6/c7-1-3(9)5(11)6(12)4(10)2-8/h3-12H,1-2H2/t3-,4-,5-,6-/m1/s1 |
| Standard InCHIKey | FBPFZTCFMRRESA-KVTDHHQDSA-N |
| External Identifiers | ChEMBL [CHEMBL689]; PubChem [6251]; |
| 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 |
| TCMH1033 | Centella asiatica | Ji Xue Cao | 积雪草 |
| TCMH1111 | Polygala glomerata | Jin Niu Cao | 金牛草 |
| TCMH1121 | Cardiospermum halicacabum | Jin Si Ku Lian | 金丝苦楝 |
| TCMH1155 | Allium tuberosum | Jiu Cai | 韭菜 |
| TCMH1176 | Allium tuberosum | Jiu Zi | 韭子 |
| TCMH1197 | Selaginella tamariscina | Juan Bai | 卷柏 |
| TCMH1226 | Laminaria japonica | Kun Bu | 昆布 |
| TCMH1285 | Orobanche coerulescens | Lie Dang | 列当 |
Showing 1 to 10 of 63 entries
Ingredient ID: TCMC1513
Formula: C5H9NO2
Ingredient ID: TCMC1513
| Common Name | L-Proline |
| IUPAC Name | (2S)-pyrrolidine-2-carboxylic acid |
| Canonical SMILES | OC(=O)[C@@H]1CCCN1 |
| Standard InCHI | InChI=1S/C5H9NO2/c7-5(8)4-2-1-3-6-4/h4,6H,1-3H2,(H,7,8)/t4-/m0/s1 |
| Standard InCHIKey | ONIBWKKTOPOVIA-BYPYZUCNSA-N |
| External Identifiers | ChEMBL [CHEMBL54922]; PubChem [145742]; |
| 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 |
| TCMH1223 | Tussilago farfara | Kuan Dong Hua | 款冬花 |
| 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 |
| TCMH1332 | Penis cervi | Lu Bian | 鹿鞭 |
| TCMH1483 | Tussilago farfara | Mi Kuan Dong Hua | 蜜款冬花 |
Showing 1 to 10 of 44 entries
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: TCMC1502
Formula: C34H46O18
Ingredient ID: TCMC1502
| Common Name | Liriodendrtachioside |
| IUPAC Name | (2R,3S,4R,5R,6S)-2-[4-[(3S,3aR,6S,6aR)-6-[3,5-dimethoxy-4-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]-1,3,3a,4,6,6a-hexahydrofuro[3,4-c]furan-3-yl]-2,6-dimethoxyphenoxy]-6-(hydroxymethyl)oxane-3,4,5-triol |
| Canonical SMILES | OC[C@@H]1O[C@H](Oc2c(OC)cc(cc2OC)[C@H]2OC[C@H]3[C@@H]2CO[C@@H]3c2cc(OC)c(c(c2)OC)O[C@@H]2O[C@H](CO)[C@H]([C@@H]([C@H]2O)O)O)[C@H]([C@@H]([C@H]1O)O)O |
| Standard InCHI | InChI=1S/C34H46O18/c1-43-17-5-13(6-18(44-2)31(17)51-33-27(41)25(39)23(37)21(9-35)49-33)29-15-11-48-30(16(15)12-47-29)14-7-19(45-3)32(20(8-14)46-4)52-34-28(42)26(40)24(38)22(10-36)50-34/h5-8,15-16,21-30,33-42H,9-12H2,1-4H3/t15-,16-,21-,22+,23-,24+,25+,26-,27-,28+,29+,30+,33+,34-/m0/s1 |
| Standard InCHIKey | FFDULTAFAQRACT-IHHOVKAUSA-N |
| External Identifiers | ChEMBL [CHEMBL505393]; PubChem [44202792]; |
| Reference of Component-Ingredient Pair | N/A |
Occurrence of the ingredient across TCM components
| Component ID | Latin Name | Pinyin Name | Chinese Name |
|---|---|---|---|
| TCMH138 | Syringa reticulata | Bao Ma Zi Pi | 暴马子皮 |
| TCMH1673 | Gentiana macrophylla | Qin Jiao | 秦艽 |
| TCMH1674 | Gentiana straminea | Qin Jiao Hua | 秦艽花 |
| TCMH1740 | Cistanche deserticola | Rou Cong Rong | 肉苁蓉 |
| TCMH1792 | Morus alba | Sang Pi | 桑皮 |
| TCMH1797 | Morus alba | Sang Ye | 桑叶 |
| TCMH1798 | Morus alba | Sang Zhi | 桑枝 |
| TCMH2452 | Chrysanthemum indicum | Ye Ju Hua | 野菊花 |
| TCMH255 | Vigna angularis | Chi Dou | 赤豆 |
| TCMH260 | Semen phaseoli | Chi Xiao Dou | 赤小豆 |
Showing 1 to 10 of 18 entries
Ingredient ID: TCMC1459
Formula: C3H7NO2
Ingredient ID: TCMC1459
| Common Name | L-Alanine |
| IUPAC Name | (2S)-2-aminopropanoic acid |
| Canonical SMILES | C[C@@H](C(=O)O)N |
| Standard InCHI | InChI=1S/C3H7NO2/c1-2(4)3(5)6/h2H,4H2,1H3,(H,5,6)/t2-/m0/s1 |
| Standard InCHIKey | QNAYBMKLOCPYGJ-REOHCLBHSA-N |
| External Identifiers | ChEMBL [CHEMBL279597]; PubChem [5950]; |
| 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 |
| TCMH1223 | Tussilago farfara | Kuan Dong Hua | 款冬花 |
| TCMH1294 | Cornu saigae tataricae | Ling Yang Jiao | 羚羊角 |
| TCMH1296 | Ganoderma lucidum | Ling Zhi Jin Gao | 灵芝浸膏 |
| TCMH1299 | Ganoderma lucidum | Ling Zhi(1) | 灵芝 |
| TCMH130 | Pinellia ternata | Ban Xia | 半夏 |
| TCMH131 | Pinellia ternata | Ban Xia Qu | 半夏曲 |
Showing 1 to 10 of 48 entries
Ingredient ID: TCMC1378
Formula: C29H36O15
Ingredient ID: TCMC1378
| Common Name | Isoacteoside |
| IUPAC Name | [(2R,3R,4S,5R,6R)-6-[2-(3,4-dihydroxyphenyl)ethoxy]-3,5-dihydroxy-4-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-2-yl]methyl (E)-3-(3,4-dihydroxyphenyl)prop-2-enoate |
| Canonical SMILES | O=C(OC[C@H]1O[C@@H](OCCc2ccc(c(c2)O)O)[C@@H]([C@H]([C@@H]1O)O[C@@H]1O[C@@H](C)[C@@H]([C@H]([C@H]1O)O)O)O)/C=C/c1ccc(c(c1)O)O |
| Standard InCHI | InChI=1S/C29H36O15/c1-13-22(35)24(37)25(38)29(42-13)44-27-23(36)20(12-41-21(34)7-4-14-2-5-16(30)18(32)10-14)43-28(26(27)39)40-9-8-15-3-6-17(31)19(33)11-15/h2-7,10-11,13,20,22-33,35-39H,8-9,12H2,1H3/b7-4+/t13-,20+,22-,23+,24+,25+,26+,27-,28+,29-/m0/s1 |
| Standard InCHIKey | FNMHEHXNBNCPCI-QEOJJFGVSA-N |
| External Identifiers | ChEMBL [CHEMBL504873]; PubChem [6476333]; |
| Reference of Component-Ingredient Pair | 28616865 |
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 |
| TCMH1285 | Orobanche coerulescens | Lie Dang | 列当 |
| 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 |
| TCMH1740 | Cistanche deserticola | Rou Cong Rong | 肉苁蓉 |
| TCMH1894 | Pinellia ternata | Sheng Ban Xia | 生半夏 |
| TCMH1896 | Radix rehmanniae | Sheng Di Huang | 生地黄 |
| TCMH1897 | Radix rehmanniae | Sheng Di Huang Zhi | 生地黄汁 |
Showing 1 to 10 of 23 entries
Ingredient ID: TCMC1272
Formula: C5H11NO2
Ingredient ID: TCMC1272
| Common Name | Glycinebetaine |
| IUPAC Name | 2-(trimethylazaniumyl)acetate |
| Canonical SMILES | [O-]C(=O)C[N+](C)(C)C |
| Standard InCHI | InChI=1S/C5H11NO2/c1-6(2,3)4-5(7)8/h4H2,1-3H3 |
| Standard InCHIKey | KWIUHFFTVRNATP-UHFFFAOYSA-N |
| External Identifiers | ChEMBL [CHEMBL1182]; PubChem [247]; |
| Reference of Component-Ingredient Pair | 29968805 |
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 |
| TCMH1511 | Momordica cochinchinensis | Mu Bie Zi | 木鳖子 |
| TCMH1734 | Homo sapiens | Ren Zhong Bai | 人中白 |
| TCMH1740 | Cistanche deserticola | Rou Cong Rong | 肉苁蓉 |
| TCMH1856 | Gardenia jasminoides | Shan Zhi | 山栀 |
| TCMH2102 | Concretio silicea bambusae | Tian Zhu Huang | 天竺黄 |
| TCMH2200 | Firmiana simplex | Wu Tong Ye Jin Gao | 梧桐叶浸膏 |
| TCMH228 | Bupleurum chinense | Chai Hu | 柴胡 |
| TCMH229 | Bupleurum chinense | Chai Hu Jin Gao | 柴胡浸膏 |
Showing 1 to 10 of 25 entries
Ingredient ID: TCMC1159
Formula: C10H12O2
Ingredient ID: TCMC1159
| Common Name | Eugenol |
| IUPAC Name | 2-methoxy-4-prop-2-enylphenol |
| Canonical SMILES | C=CCc1ccc(c(c1)OC)O |
| Standard InCHI | InChI=1S/C10H12O2/c1-3-4-8-5-6-9(11)10(7-8)12-2/h3,5-7,11H,1,4H2,2H3 |
| Standard InCHIKey | RRAFCDWBNXTKKO-UHFFFAOYSA-N |
| External Identifiers | ChEMBL [CHEMBL42710]; PubChem [3314]; |
| Reference of Component-Ingredient Pair | 29191726 |
Occurrence of the ingredient across TCM components
| Component ID | Latin Name | Pinyin Name | Chinese Name |
|---|---|---|---|
| TCMH1000 | Foeniculum vulgare | Hui Xiang | 茴香 |
| TCMH1005 | Cannabis sativa | Huo Ma Ren | 火麻仁 |
| TCMH1008 | Pogostemon cablin | Huo Xiang | 藿香 |
| TCMH1009 | Pogostemon cablin | Huo Xiang Ye | 藿香叶 |
| 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 |
| TCMH1158 | Ocimum basilicum | Jiu Ceng Ta | 九层塔 |
| TCMH1161 | Coptis chinensis | Jiu Huang Lian | 酒黄连 |
Showing 1 to 10 of 140 entries
Ingredient ID: TCMC1077
Formula: C6H12O6
Ingredient ID: TCMC1077
| Common Name | D-Mannose |
| IUPAC Name | (3S,4S,5S,6R)-6-(hydroxymethyl)oxane-2,3,4,5-tetrol |
| Canonical SMILES | OC[C@H]1OC(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-QTVWNMPRSA-N |
| External Identifiers | ChEMBL [CHEMBL469448]; PubChem [18950]; |
| Reference of Component-Ingredient Pair | 29968805 |
Occurrence of the ingredient across TCM components
| Component ID | Latin Name | Pinyin Name | Chinese Name |
|---|---|---|---|
| TCMH1632 | Taraxacum mongolicum | Pu Gong Ying | 蒲公英 |
| TCMH1633 | Taraxacum mongolicum | Pu Gong Ying Jin Gao | 蒲公英浸膏 |
| 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 |
| TCMH1740 | Cistanche deserticola | Rou Cong Rong | 肉苁蓉 |
| TCMH1839 | Panax ginseng | Shan Shen | 山参 |
| TCMH2309 | Allium macrostemon | Xie Bai | 薤白 |
| TCMH2370 | Commelina communis | Ya Zhi Cao | 鸭跖草 |
| TCMH2710 | Homo sapiens | Zi He Che | 紫河车 |
Showing 1 to 10 of 11 entries
Properties
| Ingredient ID | Formulae | Name | MW | AlogP | MlogP | XlogP | # HBA | # HBD | PSA | # Rotatable Bond | # Ring | # Heacy Atom | Lipinski RO5 Violation |
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| TCMC1077 | C6H12O6 | D-Mannose | 180.06 | -2.5134 | 1.46 | -1.697 | 6 | 5 | 110.38 | 6 | 1 | 12 | 0 |
| TCMC1159 | C10H12O2 | Eugenol | 164.08 | 0.5166 | 2.34 | 2.484 | 0 | 1 | 29.46 | 5 | 1 | 12 | 0 |
| TCMC1272 | C5H11NO2 | Glycinebetaine | 117.08 | -2.2564 | 1.68 | -1.227 | 2 | 0 | 40.13 | 6 | 0 | 8 | 0 |
| TCMC1378 | C29H36O15 | Isoacteoside | 624.21 | -4.2978 | 3 | -0.202 | 11 | 9 | 245.29 | 21 | 4 | 44 | 3 |
| TCMC1459 | C3H7NO2 | L-Alanine | 89.05 | -1.0955 | 1.46 | -2.824 | 3 | 2 | 63.32 | 4 | 0 | 6 | 0 |
| TCMC1502 | C34H46O18 | Liriodendrtachioside | 742.27 | -5.6196 | 3.22 | -1.42 | 12 | 8 | 254.14 | 24 | 6 | 52 | 3 |
| TCMC1512 | C9H11NO2 | L-Phenylalanine | 165.08 | -1.0844 | 2.12 | 0.441 | 3 | 2 | 63.32 | 5 | 1 | 12 | 0 |
| TCMC1513 | C5H9NO2 | L-Proline | 115.06 | -1.3817 | 1.68 | -0.185 | 3 | 2 | 49.33 | 2 | 1 | 8 | 0 |
| TCMC1535 | C6H14O6 | Mannitol | 182.08 | -2.9402 | 1.46 | -3.896 | 6 | 6 | 121.38 | 11 | 0 | 12 | 1 |
| TCMC1742 | C6H6N2O | Niacinamide | 122.05 | -0.0816 | 1.79 | 1.043 | 3 | 2 | 56.97 | 2 | 1 | 9 | 0 |
Showing 1 to 10 of 58 entries
Download Data
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