Description of the Component
Component ID |
TCMH109 |
Latin Name |
Pulsatilla chinensis |
English Name |
Chinese pulsatilla |
Chinese Pinyin Name |
Bai Tou Weng |
中文名 |
白头翁 |
TCM Properties |
Cold,Bitter |
TCM Meridians |
Large Intestine,Stomach,Liver |
Therapeutic Class English |
Heat clearence |
Therapeutic Class Chinese |
清热 |
Functions |
clear heat and release toxins, cool the blood and stop dysentery |
Toxicity |
NA |
Geo-authentic habitats (道地产区) |
Anhui Province |
Reference |
Chinese Pharmacopoeia (2015) |
Barcode ID |
ITSAJ4425-14 |
Barcode Source |
BOLDSYSTEMS |
TCM Prescriptions with the Component
| Prescription ID | Prescription English Name | Prescription Chinese Name |
|---|---|---|
| TCMF2 | Dan Yi Tablets | 丹益片 |
| TCMF2086 | Added Flavor Fu Zi Interior Modulation Decoction | 加味附子理中汤 |
| TCMF2175 | Infectious Diarrhea Decoction | |
| TCMF3042 | Bai Pu Huang Tablets | 白蒲黄片 |
| TCMF4087 | Li Yan Ning Tablets | 痢炎宁片 |
| TCMF4098 | Kang Gu Sui Yan Tablets | 抗骨髓炎片 |
| TCMF476 | Bai Pu Huang Tablet | 白蒲黄片 |
| TCMF52 | Kang Gu Sui Yan Tablets | 抗骨髄炎片 |
| TCMFx1643 | Decoction of Pulsatillae | 白头翁汤 |
| TCMFx6062 | Xiao Huo Zhi Li Pills | 消火止痢丸 |
Showing 1 to 10 of 10 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 |
| TCMT112 | ADORA3 | Adenosine A3 receptor | GPCR | P0DMS8 |
| TCMT125 | GBA | Beta-glucocerebrosidase | Hydrolase | P04062 |
| TCMT150 | RORC | Nuclear receptor ROR-gamma | Nuclear receptor | P51449 |
| TCMT156 | CYP19A1 | Cytochrome P450 19A1 | Oxidoreductase | P11511 |
| TCMT17 | POLB | DNA polymerase beta | Transferase | P06746 |
| TCMT18 | GAA | Lysosomal alpha-glucosidase | Hydrolase | P10253 |
| TCMT2 | MAPT | Microtubule-associated protein tau | Unclassified | P10636 |
| TCMT215 | CYP1A1 | Cytochrome P450 1A1 | Oxidoreductase | P04798 |
| TCMT219 | CYP1A2 | Cytochrome P450 1A2 | Oxidoreductase | P05177 |
Showing 1 to 10 of 29 entries
Targeted Pathogenic Microbes by the Ingredient of Component
| Target ID | Target Name |
|---|---|
| TCMT1107 | Protease |
| TCMT1172 | Staphylococcus aureus subsp. aureus RN4220 |
| TCMT1181 | Mycobacterium tuberculosis H37Ra |
| TCMT1209 | Staphylococcus haemolyticus |
| TCMT1218 | Staphylococcus aureus |
| TCMT1223 | Staphylococcus epidermidis |
| TCMT1232 | Pseudomonas aeruginosa |
| TCMT1251 | Candida albicans |
| TCMT1286 | Bacillus cereus |
| TCMT1321 | Staphylococcus hominis |
Showing 1 to 10 of 19 entries
Ingredient Structrues
Ingredient ID: TCMC909
Formula: C17H14O4
Ingredient ID: TCMC909
| Common Name | Chrysin Dimethyl Ether |
| IUPAC Name | 5,7-dimethoxy-2-phenylchromen-4-one |
| Canonical SMILES | COc1cc(OC)c2c(c1)oc(cc2=O)c1ccccc1 |
| Standard InCHI | InChI=1S/C17H14O4/c1-19-12-8-15(20-2)17-13(18)10-14(21-16(17)9-12)11-6-4-3-5-7-11/h3-10H,1-2H3 |
| Standard InCHIKey | JRFZSUMZAUHNSL-UHFFFAOYSA-N |
| External Identifiers | ChEMBL [CHEMBL275391]; PubChem [88881]; |
| Reference of Component-Ingredient Pair | N/A |
Occurrence of the ingredient across TCM components
| Component ID | Latin Name | Pinyin Name | Chinese Name |
|---|---|---|---|
| TCMH109 | Pulsatilla chinensis | Bai Tou Weng | 白头翁 |
| TCMH1225 | Valeriana officinalis | Kuan Ye Xie Cao | 宽叶缬草 |
| TCMH1255 | Tripterygium wilfordii | Lei Gong Teng | 雷公藤 |
| TCMH2310 | Valeriana officinalis | Xie Cao | 缬草 |
| TCMH2698 | Valeriana officinalis | Zhua Di Hu | 抓地虎 |
| TCMH807 | Scutellaria indica | Han Xin Cao | 韩信草 |
Showing 1 to 6 of 6 entries
Ingredient ID: TCMC870
Formula: C16H14O4
Ingredient ID: TCMC870
| Common Name | Cardamomin |
| IUPAC Name | (E)-1-(2,4-dihydroxy-6-methoxyphenyl)-3-phenylprop-2-en-1-one |
| Canonical SMILES | COc1cc(O)cc(c1C(=O)/C=C/c1ccccc1)O |
| Standard InCHI | InChI=1S/C16H14O4/c1-20-15-10-12(17)9-14(19)16(15)13(18)8-7-11-5-3-2-4-6-11/h2-10,17,19H,1H3/b8-7+ |
| Standard InCHIKey | NYSZJNUIVUBQMM-BQYQJAHWSA-N |
| External Identifiers | ChEMBL [CHEMBL378104]; PubChem [641785]; |
| Reference of Component-Ingredient Pair | 27900636 |
Occurrence of the ingredient across TCM components
Ingredient ID: TCMC799
Formula: C22H22O8
Ingredient ID: TCMC799
| Common Name | Beta-Peltatin A |
| IUPAC Name | (5aR,8aR,9R)-4-hydroxy-9-(3,4,5-trimethoxyphenyl)-5a,6,8a,9-tetrahydro-5H-[2]benzofuro[5,6-f][1,3]benzodioxol-8-one |
| Canonical SMILES | COc1cc(cc(c1OC)OC)[C@H]1[C@H]2C(=O)OC[C@@H]2Cc2c1cc1OCOc1c2O |
| Standard InCHI | InChI=1S/C22H22O8/c1-25-14-5-10(6-15(26-2)20(14)27-3)17-12-7-16-21(30-9-29-16)19(23)13(12)4-11-8-28-22(24)18(11)17/h5-7,11,17-18,23H,4,8-9H2,1-3H3/t11-,17+,18-/m0/s1 |
| Standard InCHIKey | HLBPOYVRLSXWJJ-PDSMFRHLSA-N |
| External Identifiers | ChEMBL [CHEMBL97543]; PubChem [92122]; |
| Reference of Component-Ingredient Pair | N/A |
Occurrence of the ingredient across TCM components
Ingredient ID: TCMC6908
Formula: C10H8O4
Ingredient ID: TCMC6908
| Common Name | Anemonin |
| IUPAC Name | (5R,6R)-4,7-dioxadispiro[4.0.46.25]dodeca-1,9-diene-3,8-dione |
| Canonical SMILES | O=C1C=C[C@]2(O1)CC[C@]12C=CC(=O)O1 |
| Standard InCHI | InChI=1S/C10H8O4/c11-7-1-3-9(13-7)5-6-10(9)4-2-8(12)14-10/h1-4H,5-6H2/t9-,10-/m0/s1 |
| Standard InCHIKey | JLUQTCXCAFSSLD-UWVGGRQHSA-N |
| External Identifiers | ChEMBL [N/A]; PubChem [71676052]; |
| Reference of Component-Ingredient Pair | N/A |
Occurrence of the ingredient across TCM components
Ingredient ID: TCMC5780
Formula: C32H50O4
Ingredient ID: TCMC5780
| Common Name | 3Β-Acetoxyolean-12-En-28-Oic Acid |
| IUPAC Name | (4aS,6aR,6aS,6bR,8aR,10S,12aR,14bR)-10-acetyloxy-2,2,6a,6b,9,9,12a-heptamethyl-1,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropicene-4a-carboxylic acid |
| Canonical SMILES | CC(=O)O[C@H]1CC[C@]2([C@H](C1(C)C)CC[C@@]1([C@@H]2CC=C2[C@@]1(C)CC[C@@]1([C@@H]2CC(C)(C)CC1)C(=O)[O-])C)C |
| Standard InCHI | InChI=1S/C32H50O4/c1-20(33)36-25-12-13-29(6)23(28(25,4)5)11-14-31(8)24(29)10-9-21-22-19-27(2,3)15-17-32(22,26(34)35)18-16-30(21,31)7/h9,22-25H,10-19H2,1-8H3,(H,34,35)/p-1/t22-,23+,24-,25+,29+,30-,31-,32+/m1/s1 |
| Standard InCHIKey | RIXNFYQZWDGQAE-UUPNAFDOSA-M |
| External Identifiers | ChEMBL [N/A]; PubChem [11762805]; |
| Reference of Component-Ingredient Pair | N/A |
Occurrence of the ingredient across TCM components
Ingredient ID: TCMC5768
Formula: C41H66O12
Ingredient ID: TCMC5768
| Common Name | Anemoside A3 |
| IUPAC Name | (1R,3aS,5aR,5bR,7aR,8R,9S,11aR,11bR,13aR,13bR)-9-[(2S,3R,4S,5S)-4,5-dihydroxy-3-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-2-yl]oxy-8-(hydroxymethyl)-5a,5b,8,11a-tetramethyl-1-prop-1-en-2-yl-1,2,3,4,5,6,7,7a,9,10,11,11b,12,13,13a,13b-hexadecahydrocyclopenta[a]chrysene-3a-carboxylic acid |
| Canonical SMILES | OC[C@]1(C)[C@H](CC[C@]2([C@H]1CC[C@@]1([C@@H]2CC[C@H]2[C@@]1(C)CC[C@@]1([C@@H]2[C@@H](CC1)C(=C)C)C(=O)[O-])C)C)O[C@@H]1OC[C@@H]([C@@H]([C@H]1O[C@@H]1O[C@@H](C)[C@@H]([C@H]([C@H]1O)O)O)O)O |
| Standard InCHI | InChI=1S/C41H66O12/c1-20(2)22-10-15-41(36(48)49)17-16-39(6)23(28(22)41)8-9-26-37(4)13-12-27(38(5,19-42)25(37)11-14-40(26,39)7)52-35-33(30(45)24(43)18-50-35)53-34-32(47)31(46)29(44)21(3)51-34/h21-35,42-47H,1,8-19H2,2-7H3,(H,48,49)/p-1/t21-,22-,23+,24-,25+,26+,27-,28+,29-,30-,31+,32+,33+,34-,35-,37-,38-,39+,40+,41-/m0/s1 |
| Standard InCHIKey | ISNDTNDJSXYNKT-DVIRKNLQSA-M |
| External Identifiers | ChEMBL [CHEMBL443387]; PubChem [11721847]; |
| Reference of Component-Ingredient Pair | 12624827 |
Occurrence of the ingredient across TCM components
Ingredient ID: TCMC5552
Formula: C59H96O25
Ingredient ID: TCMC5552
| Common Name | Cussosaponin C |
| IUPAC Name | [(2S,3R,4S,5S,6R)-6-[[(2R,3R,4R,5S,6R)-3,4-dihydroxy-6-(hydroxymethyl)-5-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-2-yl]oxymethyl]-3,4,5-trihydroxyoxan-2-yl] (1R,3aS,5aR,5bR,7aR,9S,11aR,11bR,13aR,13bR)-9-[(2S,3R,4S,5S)-4,5-dihydroxy-3-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-2-yl]oxy-5a,5b,8,8,11a-pentamethyl-1-prop-1-en-2-yl-1,2,3,4,5,6,7,7a,9,10,11,11b,12,13,13a,13b-hexadecahydrocyclopenta[a]chrysene-3a-carboxylate |
| Canonical SMILES | OC[C@H]1O[C@@H](OC[C@H]2O[C@@H](OC(=O)[C@@]34CC[C@H]([C@@H]4[C@@H]4[C@](CC3)(C)[C@]3(C)CC[C@@H]5[C@]([C@H]3CC4)(C)CC[C@@H](C5(C)C)O[C@@H]3OC[C@@H]([C@@H]([C@H]3O[C@@H]3O[C@@H](C)[C@@H]([C@H]([C@H]3O)O)O)O)O)C(=C)C)[C@@H]([C@H]([C@@H]2O)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)O |
| Standard InCHI | InChI=1S/C59H96O25/c1-23(2)26-12-17-59(54(74)84-52-45(72)41(68)38(65)30(80-52)22-76-49-46(73)42(69)47(29(20-60)79-49)82-50-43(70)39(66)35(62)24(3)77-50)19-18-57(8)27(34(26)59)10-11-32-56(7)15-14-33(55(5,6)31(56)13-16-58(32,57)9)81-53-48(37(64)28(61)21-75-53)83-51-44(71)40(67)36(63)25(4)78-51/h24-53,60-73H,1,10-22H2,2-9H3/t24-,25-,26-,27+,28-,29+,30+,31-,32+,33-,34+,35-,36-,37-,38+,39+,40+,41-,42+,43+,44+,45+,46+,47+,48+,49+,50-,51-,52-,53-,56-,57+,58+,59-/m0/s1 |
| Standard InCHIKey | RLVCFPDMEANTCJ-BGVVGBMBSA-N |
| External Identifiers | ChEMBL [CHEMBL446867]; PubChem [10975293]; |
| Reference of Component-Ingredient Pair | 20066731 |
Occurrence of the ingredient across TCM components
Ingredient ID: TCMC5497
Formula: C42H68O14
Ingredient ID: TCMC5497
| Common Name | Pulsatilloside B |
| IUPAC Name | [(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-[[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]oxan-2-yl] (1R,3aS,5aR,5bR,7aR,8R,9S,11aR,11bR,13aR,13bR)-9-hydroxy-8-(hydroxymethyl)-5a,5b,8,11a-tetramethyl-1-prop-1-en-2-yl-1,2,3,4,5,6,7,7a,9,10,11,11b,12,13,13a,13b-hexadecahydrocyclopenta[a]chrysene-3a-carboxylate |
| Canonical SMILES | OC[C@H]1O[C@@H](OC[C@H]2O[C@@H](OC(=O)[C@@]34CC[C@H]([C@@H]4[C@@H]4[C@](CC3)(C)[C@]3(C)CC[C@@H]5[C@]([C@H]3CC4)(C)CC[C@@H]([C@@]5(C)CO)O)C(=C)C)[C@@H]([C@H]([C@@H]2O)O)O)[C@@H]([C@H]([C@@H]1O)O)O |
| Standard InCHI | InChI=1S/C42H68O14/c1-20(2)21-9-14-42(37(52)56-36-34(51)32(49)30(47)24(55-36)18-53-35-33(50)31(48)29(46)23(17-43)54-35)16-15-40(5)22(28(21)42)7-8-26-38(3)12-11-27(45)39(4,19-44)25(38)10-13-41(26,40)6/h21-36,43-51H,1,7-19H2,2-6H3/t21-,22+,23+,24+,25+,26+,27-,28+,29+,30+,31-,32-,33+,34+,35+,36-,38-,39-,40+,41+,42-/m0/s1 |
| Standard InCHIKey | PVVJZDLOKFUBNE-UGUOGOKGSA-N |
| External Identifiers | ChEMBL [N/A]; PubChem [10843030]; |
| Reference of Component-Ingredient Pair | 21925476 |
Occurrence of the ingredient across TCM components
Ingredient ID: TCMC5490
Formula: C35H56O8
Ingredient ID: TCMC5490
| Common Name | Pulsatilloside A |
| IUPAC Name | (1R,3aS,5aR,5bR,7aR,8R,9S,11aR,11bR,13aR,13bR)-8-(hydroxymethyl)-5a,5b,8,11a-tetramethyl-1-prop-1-en-2-yl-9-[(2S,3R,4S,5S)-3,4,5-trihydroxyoxan-2-yl]oxy-1,2,3,4,5,6,7,7a,9,10,11,11b,12,13,13a,13b-hexadecahydrocyclopenta[a]chrysene-3a-carboxylic acid |
| Canonical SMILES | OC[C@]1(C)[C@H](CC[C@]2([C@H]1CC[C@@]1([C@@H]2CC[C@H]2[C@@]1(C)CC[C@@]1([C@@H]2[C@@H](CC1)C(=C)C)C(=O)[O-])C)C)O[C@@H]1OC[C@@H]([C@@H]([C@H]1O)O)O |
| Standard InCHI | InChI=1S/C35H56O8/c1-19(2)20-9-14-35(30(40)41)16-15-33(5)21(26(20)35)7-8-24-31(3)12-11-25(43-29-28(39)27(38)22(37)17-42-29)32(4,18-36)23(31)10-13-34(24,33)6/h20-29,36-39H,1,7-18H2,2-6H3,(H,40,41)/p-1/t20-,21+,22-,23+,24+,25-,26+,27-,28+,29-,31-,32-,33+,34+,35-/m0/s1 |
| Standard InCHIKey | LWHTTZZSZRSEDN-YZUAGKRNSA-M |
| External Identifiers | ChEMBL [N/A]; PubChem [10817455]; |
| Reference of Component-Ingredient Pair | N/A |
Occurrence of the ingredient across TCM components
Ingredient ID: TCMC5480
Formula: C48H78O18
Ingredient ID: TCMC5480
| Common Name | Pulsatilloside C |
| IUPAC Name | [(2S,3R,4S,5S,6R)-6-[[(2R,3R,4R,5S,6R)-3,4-dihydroxy-6-(hydroxymethyl)-5-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-2-yl]oxymethyl]-3,4,5-trihydroxyoxan-2-yl] (1R,3aS,5aR,5bR,7aR,8R,9S,11aR,11bR,13aR,13bR)-9-hydroxy-8-(hydroxymethyl)-5a,5b,8,11a-tetramethyl-1-prop-1-en-2-yl-1,2,3,4,5,6,7,7a,9,10,11,11b,12,13,13a,13b-hexadecahydrocyclopenta[a]chrysene-3a-carboxylate |
| Canonical SMILES | OC[C@H]1O[C@@H](OC[C@H]2O[C@@H](OC(=O)[C@@]34CC[C@H]([C@@H]4[C@@H]4[C@](CC3)(C)[C@]3(C)CC[C@@H]5[C@]([C@H]3CC4)(C)CC[C@@H]([C@@]5(C)CO)O)C(=C)C)[C@@H]([C@H]([C@@H]2O)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)O |
| Standard InCHI | InChI=1S/C48H78O18/c1-21(2)23-10-15-48(17-16-46(6)24(30(23)48)8-9-28-44(4)13-12-29(51)45(5,20-50)27(44)11-14-47(28,46)7)43(60)66-42-37(58)34(55)32(53)26(64-42)19-61-40-38(59)35(56)39(25(18-49)63-40)65-41-36(57)33(54)31(52)22(3)62-41/h22-42,49-59H,1,8-20H2,2-7H3/t22-,23-,24+,25+,26+,27+,28+,29-,30+,31-,32+,33+,34-,35+,36+,37+,38+,39+,40+,41-,42-,44-,45-,46+,47+,48-/m0/s1 |
| Standard InCHIKey | VNTZDFZAGFBUPV-HKINQWRBSA-N |
| External Identifiers | ChEMBL [CHEMBL3391872]; PubChem [10772188]; |
| Reference of Component-Ingredient Pair | 23007852 |
Occurrence of the ingredient across TCM components
Ingredient ID: TCMC5124
Formula: C36H48O19
Ingredient ID: TCMC5124
| Common Name | Leontoside B |
| IUPAC Name | [4-[4,5-dihydroxy-6-methyl-3-(3,4,5-trihydroxyoxan-2-yl)oxyoxan-2-yl]oxy-5-hydroxy-6-[2-(3-hydroxy-4-methoxyphenyl)ethoxy]-2-(hydroxymethyl)oxan-3-yl] (E)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoate |
| Canonical SMILES | OCC1OC(OCCc2ccc(c(c2)O)OC)C(C(C1OC(=O)/C=C/c1ccc(c(c1)OC)O)OC1OC(C)C(C(C1OC1OCC(C(C1O)O)O)O)O)O |
| Standard InCHI | InChI=1S/C36H48O19/c1-16-26(42)28(44)33(55-34-29(45)27(43)21(40)15-50-34)36(51-16)54-32-30(46)35(49-11-10-18-5-8-22(47-2)20(39)12-18)52-24(14-37)31(32)53-25(41)9-6-17-4-7-19(38)23(13-17)48-3/h4-9,12-13,16,21,24,26-40,42-46H,10-11,14-15H2,1-3H3/b9-6+ |
| Standard InCHIKey | ZIPURHYPGUGDEP-RMKNXTFCSA-N |
| External Identifiers | ChEMBL [N/A]; PubChem [6444021]; |
| Reference of Component-Ingredient Pair | 1367886 |
Occurrence of the ingredient across TCM components
Ingredient ID: TCMC423
Formula: C18H16O5
Ingredient ID: TCMC423
| Common Name | 3,5,7-Trimethoxyflavone |
| IUPAC Name | 3,5,7-trimethoxy-2-phenylchromen-4-one |
| Canonical SMILES | COc1cc(OC)c2c(c1)oc(c(c2=O)OC)c1ccccc1 |
| Standard InCHI | InChI=1S/C18H16O5/c1-20-12-9-13(21-2)15-14(10-12)23-17(18(22-3)16(15)19)11-7-5-4-6-8-11/h4-10H,1-3H3 |
| Standard InCHIKey | CBTHKWVPSIGKMI-UHFFFAOYSA-N |
| External Identifiers | ChEMBL [CHEMBL75772]; PubChem [117900]; |
| Reference of Component-Ingredient Pair | N/A |
Occurrence of the ingredient across TCM components
Ingredient ID: TCMC3860
Formula: C35H56O8
Ingredient ID: TCMC3860
| Common Name | Cauloside A |
| IUPAC Name | (4aS,6aR,6aS,6bR,8aR,9R,10S,12aR,14bS)-9-(hydroxymethyl)-2,2,6a,6b,9,12a-hexamethyl-10-[(2S,3R,4S,5S)-3,4,5-trihydroxyoxan-2-yl]oxy-1,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropicene-4a-carboxylic acid |
| Canonical SMILES | OC[C@]1(C)[C@H](CC[C@]2([C@H]1CC[C@@]1([C@@H]2CC=C2[C@@]1(C)CC[C@@]1([C@H]2CC(CC1)(C)C)C(=O)[O-])C)C)O[C@@H]1OC[C@@H]([C@@H]([C@H]1O)O)O |
| Standard InCHI | InChI=1S/C35H56O8/c1-30(2)13-15-35(29(40)41)16-14-33(5)20(21(35)17-30)7-8-24-31(3)11-10-25(43-28-27(39)26(38)22(37)18-42-28)32(4,19-36)23(31)9-12-34(24,33)6/h7,21-28,36-39H,8-19H2,1-6H3,(H,40,41)/p-1/t21-,22-,23+,24+,25-,26-,27+,28-,31-,32-,33+,34+,35-/m0/s1 |
| Standard InCHIKey | QUBNLZCADIYAFW-RITZIESXSA-M |
| External Identifiers | ChEMBL [CHEMBL452911]; PubChem [441928]; |
| Reference of Component-Ingredient Pair | 28911735 |
Occurrence of the ingredient across TCM components
Ingredient ID: TCMC3836
Formula: C11H16O8
Ingredient ID: TCMC3836
| Common Name | Ranunculin |
| IUPAC Name | (2S)-2-[[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]-2H-furan-5-one |
| Canonical SMILES | OC[C@H]1O[C@@H](OC[C@@H]2C=CC(=O)O2)[C@@H]([C@H]([C@@H]1O)O)O |
| Standard InCHI | InChI=1S/C11H16O8/c12-3-6-8(14)9(15)10(16)11(19-6)17-4-5-1-2-7(13)18-5/h1-2,5-6,8-12,14-16H,3-4H2/t5-,6+,8+,9-,10+,11+/m0/s1 |
| Standard InCHIKey | TYWXNGXVSZRXNA-NVZSGMJQSA-N |
| External Identifiers | ChEMBL [N/A]; PubChem [441581]; |
| Reference of Component-Ingredient Pair | 22711029 |
Occurrence of the ingredient across TCM components
Ingredient ID: TCMC3795
Formula: C48H78O18
Ingredient ID: TCMC3795
| Common Name | Pulsatiloside A |
| IUPAC Name | [6-[[3,4-dihydroxy-6-(hydroxymethyl)-5-(3,4,5-trihydroxy-6-methyloxan-2-yl)oxyoxan-2-yl]oxymethyl]-3,4,5-trihydroxyoxan-2-yl] (1R,3aS,5aR,5bR,7aR,8R,9S,11aR,11bR,13aR,13bR)-9-hydroxy-8-(hydroxymethyl)-5a,5b,8,11a-tetramethyl-1-prop-1-en-2-yl-1,2,3,4,5,6,7,7a,9,10,11,11b,12,13,13a,13b-hexadecahydrocyclopenta[a]chrysene-3a-carboxylate |
| Canonical SMILES | OCC1OC(OCC2OC(OC(=O)[C@@]34CC[C@H]([C@@H]4[C@@H]4[C@](CC3)(C)[C@]3(C)CC[C@@H]5[C@]([C@H]3CC4)(C)CC[C@@H]([C@@]5(C)CO)O)C(=C)C)C(C(C2O)O)O)C(C(C1OC1OC(C)C(C(C1O)O)O)O)O |
| Standard InCHI | InChI=1S/C48H78O18/c1-21(2)23-10-15-48(17-16-46(6)24(30(23)48)8-9-28-44(4)13-12-29(51)45(5,20-50)27(44)11-14-47(28,46)7)43(60)66-42-37(58)34(55)32(53)26(64-42)19-61-40-38(59)35(56)39(25(18-49)63-40)65-41-36(57)33(54)31(52)22(3)62-41/h22-42,49-59H,1,8-20H2,2-7H3/t22?,23-,24+,25?,26?,27+,28+,29-,30+,31?,32?,33?,34?,35?,36?,37?,38?,39?,40?,41?,42?,44-,45-,46+,47+,48-/m0/s1 |
| Standard InCHIKey | VNTZDFZAGFBUPV-LLIXODNKSA-N |
| External Identifiers | ChEMBL [N/A]; PubChem [399208]; |
| Reference of Component-Ingredient Pair | 23007852 |
Occurrence of the ingredient across TCM components
Ingredient ID: TCMC3567
Formula: C41H66O13
Ingredient ID: TCMC3567
| Common Name | Calcoside D |
| IUPAC Name | (4aS,6aR,6aS,6bR,10S,12aR,14bR)-10-[(2S,3R,4S,5S)-4,5-dihydroxy-3-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-9-(hydroxymethyl)-2,2,6a,6b,9,12a-hexamethyl-1,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropicene-4a-carboxylic acid |
| Canonical SMILES | OC[C@H]1O[C@H](O[C@H]2[C@@H](OC[C@@H]([C@@H]2O)O)O[C@H]2CC[C@]3(C(C2(C)CO)CC[C@@]2([C@@H]3CC=C3[C@@]2(C)CC[C@@]2([C@@H]3CC(C)(C)CC2)C(=O)[O-])C)C)[C@@H]([C@H]([C@@H]1O)O)O |
| Standard InCHI | InChI=1S/C41H66O13/c1-36(2)13-15-41(35(49)50)16-14-39(5)21(22(41)17-36)7-8-26-37(3)11-10-27(38(4,20-43)25(37)9-12-40(26,39)6)53-34-32(28(45)23(44)19-51-34)54-33-31(48)30(47)29(46)24(18-42)52-33/h7,22-34,42-48H,8-20H2,1-6H3,(H,49,50)/p-1/t22-,23+,24-,25?,26-,27+,28+,29-,30+,31-,32-,33-,34+,37+,38?,39-,40-,41+/m1/s1 |
| Standard InCHIKey | RROGHRHLBLVQSG-QHFDZABRSA-M |
| External Identifiers | ChEMBL [N/A]; PubChem [159898]; |
| Reference of Component-Ingredient Pair | N/A |
Occurrence of the ingredient across TCM components
Ingredient ID: TCMC3565
Formula: C35H56O8
Ingredient ID: TCMC3565
| Common Name | Leontoside A |
| IUPAC Name | (4aS,6aR,6aS,6bR,10S,12aR,14bR)-9-(hydroxymethyl)-2,2,6a,6b,9,12a-hexamethyl-10-[(2S,3R,4S,5S)-3,4,5-trihydroxyoxan-2-yl]oxy-1,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropicene-4a-carboxylic acid |
| Canonical SMILES | OCC1(C)[C@H](CC[C@]2(C1CC[C@@]1([C@@H]2CC=C2[C@@]1(C)CC[C@@]1([C@@H]2CC(CC1)(C)C)C(=O)[O-])C)C)O[C@@H]1OC[C@@H]([C@@H]([C@H]1O)O)O |
| Standard InCHI | InChI=1S/C35H56O8/c1-30(2)13-15-35(29(40)41)16-14-33(5)20(21(35)17-30)7-8-24-31(3)11-10-25(43-28-27(39)26(38)22(37)18-42-28)32(4,19-36)23(31)9-12-34(24,33)6/h7,21-28,36-39H,8-19H2,1-6H3,(H,40,41)/p-1/t21-,22+,23?,24-,25+,26+,27-,28+,31+,32?,33-,34-,35+/m1/s1 |
| Standard InCHIKey | QUBNLZCADIYAFW-LWXWVVBESA-M |
| External Identifiers | ChEMBL [N/A]; PubChem [159813]; |
| Reference of Component-Ingredient Pair | 28911735 |
Occurrence of the ingredient across TCM components
Ingredient ID: TCMC3243
Formula: C30H48O4
Ingredient ID: TCMC3243
| Common Name | Hederagenin |
| IUPAC Name | (4aS,6aR,6aS,6bR,8aR,9R,10S,12aR,14bS)-10-hydroxy-9-(hydroxymethyl)-2,2,6a,6b,9,12a-hexamethyl-1,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropicene-4a-carboxylic acid |
| Canonical SMILES | OC[C@]1(C)[C@@H](O)CC[C@]2([C@H]1CC[C@@]1([C@@H]2CC=C2[C@@]1(C)CC[C@@]1([C@H]2CC(CC1)(C)C)C(=O)[O-])C)C |
| Standard InCHI | InChI=1S/C30H48O4/c1-25(2)13-15-30(24(33)34)16-14-28(5)19(20(30)17-25)7-8-22-26(3)11-10-23(32)27(4,18-31)21(26)9-12-29(22,28)6/h7,20-23,31-32H,8-18H2,1-6H3,(H,33,34)/p-1/t20-,21+,22+,23-,26-,27-,28+,29+,30-/m0/s1 |
| Standard InCHIKey | PGOYMURMZNDHNS-MYPRUECHSA-M |
| External Identifiers | ChEMBL [CHEMBL486400]; PubChem [73299]; |
| Reference of Component-Ingredient Pair | 25342273 |
Occurrence of the ingredient across TCM components
Ingredient ID: TCMC3233
Formula: C35H60O6
Ingredient ID: TCMC3233
| Common Name | Alexandrin,Daucosterol,Eleutheroside A |
| IUPAC Name | (2R,3R,4S,5S,6R)-2-[[(8S,9S,10R,13R,14S)-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](C1CC[C@@H]2[C@]1(C)CC[C@H]1[C@H]2CC=C2[C@]1(C)CCC(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-QYDWNGEASA-N |
| External Identifiers | ChEMBL [N/A]; PubChem [71628]; |
| Reference of Component-Ingredient Pair | N/A |
Occurrence of the ingredient across TCM components
| Component ID | Latin Name | Pinyin Name | Chinese Name |
|---|---|---|---|
| TCMH104 | Paeonia lactiflora | Bai Shao | 白芍 |
| TCMH109 | Pulsatilla chinensis | Bai Tou Weng | 白头翁 |
| TCMH193 | Psoralea corylifolia | Bu Gu Zhi | 补骨脂 |
| TCMH206 | Fructus xanthii sibirici | Cang Er Zi | 苍耳子 |
| TCMH2684 | Ardisia crenata | Zhu Sha Gen | 朱砂根 |
| TCMH287 | Clematidis armandii caulis | Chuan Mu Tong | 川木通 |
| TCMH327 | Eleutherococcus senticosus | Ci Wu Jia | 刺五加 |
| TCMH37 | Smilax china | Ba Qia | 菝葜 |
| TCMH385 | Sargentodoxa cuneata | Da Xue Teng | 大血藤 |
| TCMH387 | Callicarpa macrophylla | Da Ye Zi Zhu | 大叶紫珠 |
Showing 1 to 10 of 14 entries
Ingredient ID: TCMC3214
Formula: C5H4O2
Ingredient ID: TCMC3214
| Common Name | Anemonol |
| IUPAC Name | 5-methylidenefuran-2-one |
| Canonical SMILES | C=C1C=CC(=O)O1 |
| Standard InCHI | InChI=1S/C5H4O2/c1-4-2-3-5(6)7-4/h2-3H,1H2 |
| Standard InCHIKey | RNYZJZKPGHQTJR-UHFFFAOYSA-N |
| External Identifiers | ChEMBL [N/A]; PubChem [66948]; |
| Reference of Component-Ingredient Pair | 21209721 |
Occurrence of the ingredient across TCM components
Ingredient ID: TCMC3009
Formula: C10H8O4
Ingredient ID: TCMC3009
| Common Name | Anemonin |
| IUPAC Name | 4,7-dioxadispiro[4.0.46.25]dodeca-1,9-diene-3,8-dione |
| Canonical SMILES | O=C1C=CC2(O1)CCC12C=CC(=O)O1 |
| Standard InCHI | InChI=1S/C10H8O4/c11-7-1-3-9(13-7)5-6-10(9)4-2-8(12)14-10/h1-4H,5-6H2 |
| Standard InCHIKey | JLUQTCXCAFSSLD-UHFFFAOYSA-N |
| External Identifiers | ChEMBL [CHEMBL1972777]; PubChem [10496]; |
| Reference of Component-Ingredient Pair | 22728167 |
Occurrence of the ingredient across TCM components
Ingredient ID: TCMC2618
Formula: C30H48O4
Ingredient ID: TCMC2618
| Common Name | 23-Hydroxy Betulic Acid |
| IUPAC Name | (1R,3aS,5aR,5bR,7aR,8R,9S,11aR,11bR,13aR,13bR)-9-hydroxy-8-(hydroxymethyl)-5a,5b,8,11a-tetramethyl-1-prop-1-en-2-yl-1,2,3,4,5,6,7,7a,9,10,11,11b,12,13,13a,13b-hexadecahydrocyclopenta[a]chrysene-3a-carboxylic acid |
| Canonical SMILES | OC[C@]1(C)[C@@H](O)CC[C@]2([C@H]1CC[C@@]1([C@@H]2CC[C@H]2[C@@]1(C)CC[C@@]1([C@@H]2[C@@H](CC1)C(=C)C)C(=O)O)C)C |
| Standard InCHI | InChI=1S/C30H48O4/c1-18(2)19-9-14-30(25(33)34)16-15-28(5)20(24(19)30)7-8-22-26(3)12-11-23(32)27(4,17-31)21(26)10-13-29(22,28)6/h19-24,31-32H,1,7-17H2,2-6H3,(H,33,34)/t19-,20+,21+,22+,23-,24+,26-,27-,28+,29+,30-/m0/s1 |
| Standard InCHIKey | HXWLKAXCQLXHML-WGOZWDAUSA-N |
| External Identifiers | ChEMBL [CHEMBL251308]; PubChem [21672692]; |
| Reference of Component-Ingredient Pair | 21361032 |
Occurrence of the ingredient across TCM components
Ingredient ID: TCMC2479
Formula: C41H66O12
Ingredient ID: TCMC2479
| Common Name | Alpha-Hederin |
| IUPAC Name | (4aS,6aR,6aS,6bR,8aR,9R,10S,12aR,14bS)-10-[(2S,3R,4S,5S)-4,5-dihydroxy-3-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-2-yl]oxy-9-(hydroxymethyl)-2,2,6a,6b,9,12a-hexamethyl-1,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropicene-4a-carboxylic acid |
| Canonical SMILES | OC[C@]1(C)[C@H](CC[C@]2([C@H]1CC[C@@]1([C@@H]2CC=C2[C@@]1(C)CC[C@@]1([C@H]2CC(CC1)(C)C)C(=O)O)C)C)O[C@@H]1OC[C@@H]([C@@H]([C@H]1O[C@@H]1O[C@@H](C)[C@@H]([C@H]([C@H]1O)O)O)O)O |
| Standard InCHI | InChI=1S/C41H66O12/c1-21-28(44)30(46)31(47)33(51-21)53-32-29(45)24(43)19-50-34(32)52-27-11-12-37(4)25(38(27,5)20-42)10-13-40(7)26(37)9-8-22-23-18-36(2,3)14-16-41(23,35(48)49)17-15-39(22,40)6/h8,21,23-34,42-47H,9-20H2,1-7H3,(H,48,49)/t21-,23-,24-,25+,26+,27-,28-,29-,30+,31+,32+,33-,34-,37-,38-,39+,40+,41-/m0/s1 |
| Standard InCHIKey | KEOITPILCOILGM-LLJOFIFVSA-N |
| External Identifiers | ChEMBL [CHEMBL447565]; PubChem [73296]; |
| Reference of Component-Ingredient Pair | 14765305 |
Occurrence of the ingredient across TCM components
| Component ID | Latin Name | Pinyin Name | Chinese Name |
|---|---|---|---|
| TCMH109 | Pulsatilla chinensis | Bai Tou Weng | 白头翁 |
| TCMH1127 | Lonicera japonica | Jin Yin Hua | 金银花 |
| TCMH1128 | Lonicera japonica | Jin Yin Hua Ti Qu Ye | 金银花提取液 |
| TCMH1531 | Akebia quinata | Mu Tong | 木通 |
| TCMH1714 | Lonicera japonica | Ren Dong Teng | 忍冬藤 |
| TCMH39 | Akebia quinata | Ba Yue Zha | 八月扎 |
Showing 1 to 6 of 6 entries
Ingredient ID: TCMC2450
Formula: C16H14O4
Ingredient ID: TCMC2450
| Common Name | Pinostrobin |
| IUPAC Name | (2S)-5-hydroxy-7-methoxy-2-phenyl-2,3-dihydrochromen-4-one |
| Canonical SMILES | COc1cc2O[C@@H](CC(=O)c2c(c1)O)c1ccccc1 |
| Standard InCHI | InChI=1S/C16H14O4/c1-19-11-7-12(17)16-13(18)9-14(20-15(16)8-11)10-5-3-2-4-6-10/h2-8,14,17H,9H2,1H3/t14-/m0/s1 |
| Standard InCHIKey | ORJDDOBAOGKRJV-AWEZNQCLSA-N |
| External Identifiers | ChEMBL [CHEMBL254613]; PubChem [73201]; |
| Reference of Component-Ingredient Pair | 22495442 |
Occurrence of the ingredient across TCM components
| Component ID | Latin Name | Pinyin Name | Chinese Name |
|---|---|---|---|
| TCMH109 | Pulsatilla chinensis | Bai Tou Weng | 白头翁 |
| TCMH1162 | Sarcandra glabra | Jiu Jie Cha | 九节茶 |
| TCMH1903 | Zingiber officinale | Sheng Jiang | 生姜 |
| TCMH214 | Alpinia katsumadai | Cao Dou Kou | 草豆蔻 |
| TCMH215 | Alpinia katsumadai | Cao Dou Kou Ren | 草豆蔻仁 |
| TCMH221 | Sarcandra glabra | Cao Shan Hu Jin Gao | 草珊瑚浸膏 |
| TCMH2281 | Citrus medica | Xiang Yuan | 香橼 |
| TCMH2282 | Citrus medica | Xiang Yuan Pi | 香橼皮 |
| TCMH264 | Laggera pterodonta | Chu Ling Dan | 臭灵丹 |
| TCMH265 | Laggera pterodonta | Chu Ling Dan Cao | 臭灵丹草 |
Showing 1 to 10 of 15 entries
Ingredient ID: TCMC2428
Formula: C47H76O17
Ingredient ID: TCMC2428
| Common Name | Hederacolchiside A |
| IUPAC Name | (4aS,6aR,6aS,6bR,8aR,9R,10S,12aR,14bS)-9-(hydroxymethyl)-10-[(2S,3R,4S,5S)-4-hydroxy-5-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-2-yl]oxy-2,2,6a,6b,9,12a-hexamethyl-1,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropicene-4a-carboxylic acid |
| Canonical SMILES | OC[C@H]1O[C@@H](O[C@H]2CO[C@H]([C@@H]([C@H]2O)O[C@@H]2O[C@@H](C)[C@@H]([C@H]([C@H]2O)O)O)O[C@H]2CC[C@]3([C@H]([C@]2(C)CO)CC[C@@]2([C@@H]3CC=C3[C@@]2(C)CC[C@@]2([C@H]3CC(C)(C)CC2)C(=O)O)C)C)[C@@H]([C@H]([C@@H]1O)O)O |
| Standard InCHI | InChI=1S/C47H76O17/c1-22-30(50)33(53)35(55)38(60-22)64-37-32(52)26(62-39-36(56)34(54)31(51)25(19-48)61-39)20-59-40(37)63-29-11-12-43(4)27(44(29,5)21-49)10-13-46(7)28(43)9-8-23-24-18-42(2,3)14-16-47(24,41(57)58)17-15-45(23,46)6/h8,22,24-40,48-56H,9-21H2,1-7H3,(H,57,58)/t22-,24-,25+,26-,27+,28+,29-,30-,31+,32-,33+,34-,35+,36+,37+,38-,39-,40-,43-,44-,45+,46+,47-/m0/s1 |
| Standard InCHIKey | SOLICHUQXFAOEP-YDIXZRNLSA-N |
| External Identifiers | ChEMBL [CHEMBL479310]; PubChem [11650910]; |
| Reference of Component-Ingredient Pair | N/A |
Occurrence of the ingredient across TCM components
Ingredient ID: TCMC2407
Formula: C26H30O4
Ingredient ID: TCMC2407
| Common Name | Panduratin A |
| IUPAC Name | (2,6-dihydroxy-4-methoxyphenyl)-[(1R,2S,6R)-3-methyl-2-(3-methylbut-2-enyl)-6-phenylcyclohex-3-en-1-yl]methanone |
| Canonical SMILES | COc1cc(O)c(c(c1)O)C(=O)[C@@H]1[C@H](CC=C(C)C)C(=CC[C@H]1c1ccccc1)C |
| Standard InCHI | InChI=1S/C26H30O4/c1-16(2)10-12-20-17(3)11-13-21(18-8-6-5-7-9-18)24(20)26(29)25-22(27)14-19(30-4)15-23(25)28/h5-11,14-15,20-21,24,27-28H,12-13H2,1-4H3/t20-,21+,24-/m1/s1 |
| Standard InCHIKey | LYDZCXVWCFJAKQ-ZFGGDYGUSA-N |
| External Identifiers | ChEMBL [CHEMBL379110]; PubChem [6483648]; |
| Reference of Component-Ingredient Pair | 16497706 |
Occurrence of the ingredient across TCM components
Ingredient ID: TCMC2152
Formula: C19H18O6
Ingredient ID: TCMC2152
| Common Name | Tetramethylkaempferol |
| IUPAC Name | 3,5,7-trimethoxy-2-(4-methoxyphenyl)chromen-4-one |
| Canonical SMILES | COc1ccc(cc1)c1oc2cc(OC)cc(c2c(=O)c1OC)OC |
| Standard InCHI | InChI=1S/C19H18O6/c1-21-12-7-5-11(6-8-12)18-19(24-4)17(20)16-14(23-3)9-13(22-2)10-15(16)25-18/h5-10H,1-4H3 |
| Standard InCHIKey | YZWIIEJLESXODL-UHFFFAOYSA-N |
| External Identifiers | ChEMBL [CHEMBL356036]; PubChem [631095]; |
| Reference of Component-Ingredient Pair | N/A |
Occurrence of the ingredient across TCM components
Ingredient ID: TCMC2138
Formula: C16H12O4
Ingredient ID: TCMC2138
| Common Name | Techtochrysin |
| IUPAC Name | 5-hydroxy-7-methoxy-2-phenylchromen-4-one |
| Canonical SMILES | COc1cc(O)c2c(c1)oc(cc2=O)c1ccccc1 |
| Standard InCHI | InChI=1S/C16H12O4/c1-19-11-7-12(17)16-13(18)9-14(20-15(16)8-11)10-5-3-2-4-6-10/h2-9,17H,1H3 |
| Standard InCHIKey | IRZVHDLBAYNPCT-UHFFFAOYSA-N |
| External Identifiers | ChEMBL [CHEMBL164841]; PubChem [5281954]; |
| Reference of Component-Ingredient Pair | 21416454 |
Occurrence of the ingredient across TCM components
| Component ID | Latin Name | Pinyin Name | Chinese Name |
|---|---|---|---|
| TCMH109 | Pulsatilla chinensis | Bai Tou Weng | 白头翁 |
| TCMH1490 | Aster tataricus | Mi Zi Wan | 蜜紫菀 |
| TCMH1519 | Oroxylum indicum | Mu Hu Die | 木蝴蝶 |
| TCMH1622 | Scutellaria baicalensis | Pian Qin | 片芩 |
| TCMH1823 | Alpinia zerumbet | Shan Jiang | 山姜 |
| TCMH2148 | Cuscuta australis | Tu Si Rou | 菟丝肉 |
| TCMH2149 | Cuscuta australis | Tu Si Zi | 菟丝子 |
| TCMH2150 | Cuscuta australis | Tu Si Zi Teng | 菟丝子藤 |
| TCMH2488 | Alpinia oxyphylla | Yi Zhi | 益智 |
| TCMH2491 | Alpinia oxyphylla | Yi Zhi Ren | 益智仁 |
Showing 1 to 10 of 21 entries
Ingredient ID: TCMC2036
Formula: C16H14O5
Ingredient ID: TCMC2036
| Common Name | Sakuranetin |
| IUPAC Name | (2S)-5-hydroxy-2-(4-hydroxyphenyl)-7-methoxy-2,3-dihydrochromen-4-one |
| Canonical SMILES | COc1cc2O[C@@H](CC(=O)c2c(c1)O)c1ccc(cc1)O |
| Standard InCHI | InChI=1S/C16H14O5/c1-20-11-6-12(18)16-13(19)8-14(21-15(16)7-11)9-2-4-10(17)5-3-9/h2-7,14,17-18H,8H2,1H3/t14-/m0/s1 |
| Standard InCHIKey | DJOJDHGQRNZXQQ-AWEZNQCLSA-N |
| External Identifiers | ChEMBL [CHEMBL448297]; PubChem [73571]; |
| Reference of Component-Ingredient Pair | N/A |
Occurrence of the ingredient across TCM components
| Component ID | Latin Name | Pinyin Name | Chinese Name |
|---|---|---|---|
| TCMH1059 | Glycine max | Jiang | 姜 |
| TCMH1062 | Glycine max | Jiang Gao | 姜膏 |
| TCMH1067 | Glycine max | Jiang Tan | 姜炭 |
| TCMH109 | Pulsatilla chinensis | Bai Tou Weng | 白头翁 |
| TCMH2145 | Achyranthes aspera | Tu Niu Xi | 土牛膝 |
| TCMH397 | Glycine max | Dan Dou Gu | 淡豆鼓 |
| TCMH416 | Glycine max | Dan Xiang Chi | 淡香豉 |
| TCMH431 | Achyranthes aspera | Dao Kou Cao | 倒扣草 |
| TCMH515 | Glycine max | Dou You | 豆油 |
| TCMH538 | Oxytropis falcata | E Da Xia | 莪大夏 |
Showing 1 to 10 of 12 entries
Ingredient ID: TCMC2010
Formula: C19H18O7
Ingredient ID: TCMC2010
| Common Name | Retusin |
| IUPAC Name | 2-(3,4-dimethoxyphenyl)-5-hydroxy-3,7-dimethoxychromen-4-one |
| Canonical SMILES | COc1cc(O)c2c(c1)oc(c(c2=O)OC)c1ccc(c(c1)OC)OC |
| Standard InCHI | InChI=1S/C19H18O7/c1-22-11-8-12(20)16-15(9-11)26-18(19(25-4)17(16)21)10-5-6-13(23-2)14(7-10)24-3/h5-9,20H,1-4H3 |
| Standard InCHIKey | HHGPYJLEJGNWJA-UHFFFAOYSA-N |
| External Identifiers | ChEMBL [CHEMBL77966]; PubChem [5352005]; |
| Reference of Component-Ingredient Pair | 22647223 |
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 |
| TCMH109 | Pulsatilla chinensis | Bai Tou Weng | 白头翁 |
| TCMH2137 | Pogostemon cablin | Tu Huo Xiang | 土藿香 |
| TCMH2267 | Periploca sepium | Xiang Jia Pi | 香加皮 |
| TCMH519 | Pogostemon cablin | Du Huo Xiang | 杜藿香 |
| TCMH728 | Pogostemon cablin | Guang Huo Xiang | 广藿香 |
Showing 1 to 7 of 7 entries
Ingredient ID: TCMC1898
Formula: C15H12O4
Ingredient ID: TCMC1898
| Common Name | Pinocembrin |
| IUPAC Name | (2S)-5,7-dihydroxy-2-phenyl-2,3-dihydrochromen-4-one |
| Canonical SMILES | Oc1cc2O[C@@H](CC(=O)c2c(c1)O)c1ccccc1 |
| Standard InCHI | InChI=1S/C15H12O4/c16-10-6-11(17)15-12(18)8-13(19-14(15)7-10)9-4-2-1-3-5-9/h1-7,13,16-17H,8H2/t13-/m0/s1 |
| Standard InCHIKey | URFCJEUYXNAHFI-ZDUSSCGKSA-N |
| External Identifiers | ChEMBL [CHEMBL399910]; PubChem [68071]; |
| Reference of Component-Ingredient Pair | 16133333 |
Occurrence of the ingredient across TCM components
| Component ID | Latin Name | Pinyin Name | Chinese Name |
|---|---|---|---|
| TCMH1045 | Piper sarmentosum | Jia Ju | 假蒟 |
| TCMH1051 | Piper sarmentosum | Jia 蒟ye | 假蒟叶 |
| TCMH109 | Pulsatilla chinensis | Bai Tou Weng | 白头翁 |
| TCMH12 | Artemisia argyi | Ai Ye | 艾叶 |
| TCMH128 | Castanea mollissima | Ban Li Ke | 板栗壳 |
| TCMH13 | Artemisia argyi | Ai Ye You | 艾叶油 |
| TCMH1437 | Rhododendron dauricum | Man Shan Hong | 满山红 |
| TCMH1462 | Moschus moschiferus | Mao She Xiang | 毛麝香 |
| TCMH1463 | Moschus moschiferus | Mao She Xiang Jin Gao | 毛麝香浸膏 |
| TCMH1475 | Glycyrrhiza uralensis | Mi Gan Cao | 蜜甘草 |
Showing 1 to 10 of 40 entries
Ingredient ID: TCMC1878
Formula: C15H14O5
Ingredient ID: TCMC1878
| Common Name | Phloretin |
| IUPAC Name | 3-(4-hydroxyphenyl)-1-(2,4,6-trihydroxyphenyl)propan-1-one |
| Canonical SMILES | Oc1ccc(cc1)CCC(=O)c1c(O)cc(cc1O)O |
| Standard InCHI | InChI=1S/C15H14O5/c16-10-4-1-9(2-5-10)3-6-12(18)15-13(19)7-11(17)8-14(15)20/h1-2,4-5,7-8,16-17,19-20H,3,6H2 |
| Standard InCHIKey | VGEREEWJJVICBM-UHFFFAOYSA-N |
| External Identifiers | ChEMBL [CHEMBL45068]; PubChem [4788]; |
| Reference of Component-Ingredient Pair | N/A |
Occurrence of the ingredient across TCM components
| Component ID | Latin Name | Pinyin Name | Chinese Name |
|---|---|---|---|
| TCMH109 | Pulsatilla chinensis | Bai Tou Weng | 白头翁 |
| TCMH123 | Pteris semipinnata | Ban Bian Qi | 半边旗 |
| 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 |
| TCMH2710 | Homo sapiens | Zi He Che | 紫河车 |
Showing 1 to 8 of 8 entries
Ingredient ID: TCMC1852
Formula: C20H20O7
Ingredient ID: TCMC1852
| Common Name | Pentamethylquercetin |
| IUPAC Name | 2-(3,4-dimethoxyphenyl)-3,5,7-trimethoxychromen-4-one |
| Canonical SMILES | COc1cc(OC)c2c(c1)oc(c(c2=O)OC)c1ccc(c(c1)OC)OC |
| Standard InCHI | InChI=1S/C20H20O7/c1-22-12-9-15(25-4)17-16(10-12)27-19(20(26-5)18(17)21)11-6-7-13(23-2)14(8-11)24-3/h6-10H,1-5H3 |
| Standard InCHIKey | ALGDHWVALRSLBT-UHFFFAOYSA-N |
| External Identifiers | ChEMBL [CHEMBL19032]; PubChem [97332]; |
| Reference of Component-Ingredient Pair | N/A |
Occurrence of the ingredient across TCM components
Ingredient ID: TCMC1178
Formula: C17H16O5
Ingredient ID: TCMC1178
| Common Name | Flavokawain C |
| IUPAC Name | (E)-1-(2-hydroxy-4,6-dimethoxyphenyl)-3-(4-hydroxyphenyl)prop-2-en-1-one |
| Canonical SMILES | COc1cc(O)c(c(c1)OC)C(=O)/C=C/c1ccc(cc1)O |
| Standard InCHI | InChI=1S/C17H16O5/c1-21-13-9-15(20)17(16(10-13)22-2)14(19)8-5-11-3-6-12(18)7-4-11/h3-10,18,20H,1-2H3/b8-5+ |
| Standard InCHIKey | UXUFMIJZNYXWDX-VMPITWQZSA-N |
| External Identifiers | ChEMBL [CHEMBL251958]; PubChem [6293081]; |
| Reference of Component-Ingredient Pair | N/A |
Occurrence of the ingredient across TCM components
Ingredient ID: TCMC1019
Formula: C14H12O3
Ingredient ID: TCMC1019
| Common Name | Desmethoxyyangonin |
| IUPAC Name | 4-methoxy-6-[(E)-2-phenylethenyl]pyran-2-one |
| Canonical SMILES | COc1cc(/C=C/c2ccccc2)oc(=O)c1 |
| Standard InCHI | InChI=1S/C14H12O3/c1-16-13-9-12(17-14(15)10-13)8-7-11-5-3-2-4-6-11/h2-10H,1H3/b8-7+ |
| Standard InCHIKey | DKKJNZYHGRUXBS-BQYQJAHWSA-N |
| External Identifiers | ChEMBL [CHEMBL254218]; PubChem [5273621]; |
| Reference of Component-Ingredient Pair | N/A |
Occurrence of the ingredient across TCM components
Properties
| Ingredient ID | Formulae | Name | MW | AlogP | MlogP | XlogP | # HBA | # HBD | PSA | # Rotatable Bond | # Ring | # Heacy Atom | Lipinski RO5 Violation |
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| TCMC1019 | C14H12O3 | Desmethoxyyangonin | 228.08 | 0.2602 | 2.67 | 4.878 | 3 | 0 | 35.53 | 4 | 2 | 17 | 0 |
| TCMC1178 | C17H16O5 | Flavokawain C | 300.1 | -0.9269 | 2.78 | 2.839 | 1 | 2 | 75.99 | 9 | 2 | 22 | 0 |
| TCMC1852 | C20H20O7 | Pentamethylquercetin | 372.12 | -1.1027 | 2.89 | 2.92 | 2 | 0 | 72.45 | 11 | 3 | 27 | 0 |
| TCMC1878 | C15H14O5 | Phloretin | 274.08 | -2.0078 | 2.56 | 1.978 | 1 | 4 | 97.99 | 8 | 2 | 20 | 0 |
| TCMC1898 | C15H12O4 | Pinocembrin | 256.07 | -1.3541 | 2.67 | 2.493 | 1 | 2 | 66.76 | 3 | 3 | 19 | 0 |
| TCMC2010 | C19H18O7 | Retusin | 358.11 | -1.5112 | 2.78 | 2.401 | 2 | 1 | 83.45 | 10 | 3 | 26 | 0 |
| TCMC2036 | C16H14O5 | Sakuranetin | 286.08 | -1.4059 | 2.67 | 1.416 | 1 | 2 | 75.99 | 5 | 3 | 21 | 0 |
| TCMC2138 | C16H12O4 | Techtochrysin | 268.07 | -1.0157 | 2.78 | 3.682 | 1 | 1 | 55.76 | 4 | 3 | 20 | 0 |
| TCMC2152 | C19H18O6 | Tetramethylkaempferol | 342.11 | -1.0509 | 2.89 | 3.364 | 2 | 0 | 63.22 | 9 | 3 | 25 | 0 |
| TCMC2407 | C26H30O4 | Panduratin A | 406.21 | 1.1457 | 3.88 | 7.522 | 1 | 2 | 66.76 | 12 | 3 | 30 | 1 |
Showing 1 to 10 of 35 entries
Download Data
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