Description of the Component
Component ID |
TCMH260 |
Latin Name |
Semen phaseoli |
English Name |
Rice bean |
Chinese Pinyin Name |
Chi Xiao Dou |
中文名 |
赤小豆 |
TCM Properties |
Mild,Sweet,Sour |
TCM Meridians |
Small Intestine,Heart |
Therapeutic Class English |
For promoting diuresis and penetrating dampness |
Therapeutic Class Chinese |
利水渗湿 |
Functions |
cause diuresis, counteract toxicity, and promote the drainage of pus |
Toxicity |
NA |
Geo-authentic habitats (道地产区) |
NA |
Reference |
Chinese Pharmacopoeia (2015) |
Barcode ID |
|
Barcode Source |
TCM Prescriptions with the Component
| Prescription ID | Prescription English Name | Prescription Chinese Name |
|---|---|---|
| TCMF3888 | Guang Dong Shen Qu | 广东神曲 |
| TCMF4589 | Jiang Zhuo Jian Mei Tea | 降浊健美茶 |
| TCMF4783 | Lao Fan Zhi Wan Ying Shen Qu | 老范志万应神曲 |
| TCMF5156 | Tou Biao Hui Chun Pills | 透表回春丸 |
| TCMF5297 | Quan Zhou Bai Cao Qu | 泉州百草曲 |
| TCMF5868 | Wei Yan Ning Infusion | 胃炎宁冲剂 |
| TCMF6788 | Yang Pi Powder | 养脾散 |
| TCMFx1543 | Pedicellus Melo Powder | 瓜蒂散 |
| TCMFx1622 | Lithagogue Infusion of Amber | 琥珀消石冲剂 |
| TCMFx1890 | Madness Suppressant Recipe | 挽狂汤 |
Showing 1 to 10 of 29 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 |
| TCMT11 | HIF1A | Hypoxia-inducible factor 1 alpha | Transcription factor | Q16665 |
| TCMT130 | ALOX5 | Arachidonate 5-lipoxygenase | Oxidoreductase | P09917 |
| TCMT156 | CYP19A1 | Cytochrome P450 19A1 | Oxidoreductase | P11511 |
| TCMT2 | MAPT | Microtubule-associated protein tau | Unclassified | P10636 |
| TCMT295 | MMP1 | Matrix metalloproteinase-1 | Hydrolase | P03956 |
| TCMT3 | ALOX15 | Arachidonate 15-lipoxygenase | Oxidoreductase | P16050 |
| TCMT306 | MMP2 | Matrix metalloproteinase-2 | Hydrolase | P08253 |
| TCMT31 | CYP2C19 | Cytochrome P450 2C19 | Oxidoreductase | P33261 |
| TCMT320 | MMP3 | Matrix metalloproteinase 3 | Hydrolase | P08254 |
Showing 1 to 10 of 15 entries
Targeted Pathogenic Microbes by the Ingredient of Component
Ingredient Structrues
Ingredient ID: TCMC921
Formula: C14H12O3
Ingredient ID: TCMC921
| Common Name | Cis-Resveratrol |
| IUPAC Name | 5-[(Z)-2-(4-hydroxyphenyl)ethenyl]benzene-1,3-diol |
| Canonical SMILES | Oc1ccc(cc1)/C=Cc1cc(O)cc(c1)O |
| Standard InCHI | InChI=1S/C14H12O3/c15-12-5-3-10(4-6-12)1-2-11-7-13(16)9-14(17)8-11/h1-9,15-17H/b2-1- |
| Standard InCHIKey | LUKBXSAWLPMMSZ-UPHRSURJSA-N |
| External Identifiers | ChEMBL [CHEMBL87333]; PubChem [1548910]; |
| Reference of Component-Ingredient Pair | N/A |
Occurrence of the ingredient across TCM components
| Component ID | Latin Name | Pinyin Name | Chinese Name |
|---|---|---|---|
| TCMH1446 | Vaccinium oxycoccos | Man Yue Mei | 蔓越莓 |
| TCMH1518 | Chaenomeles sinensis | Mu Gua | 木瓜 |
| TCMH1519 | Oroxylum indicum | Mu Hu Die | 木蝴蝶 |
| TCMH1792 | Morus alba | Sang Pi | 桑皮 |
| TCMH1797 | Morus alba | Sang Ye | 桑叶 |
| TCMH1798 | Morus alba | Sang Zhi | 桑枝 |
| TCMH1875 | Ampelopsis brevipedunculata | She Pu Tao | 蛇葡萄 |
| TCMH1965 | Rheum palmatum | Shu Da Huang | 熟大黄 |
| TCMH2134 | Smilax glabra | Tu Fu Ling | 土茯苓 |
| TCMH2218 | Rubia cordifolia | Qian Cao Teng | 茜草藤 |
Showing 1 to 10 of 24 entries
Ingredient ID: TCMC7302
Formula: C42H68O13
Ingredient ID: TCMC7302
| Common Name | Azukisaponin I |
| IUPAC Name | (2S,3S,4S,5R,6R)-6-[[(3S,4aR,6aR,6bS,8aR,9R,12aS,14aR,14bR)-9-hydroxy-4,4,6a,6b,8a,11,11,14b-octamethyl-1,2,3,4a,5,6,7,8,9,10,12,12a,14,14a-tetradecahydropicen-3-yl]oxy]-3,4-dihydroxy-5-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxane-2-carboxylic acid |
| Canonical SMILES | OC[C@H]1O[C@@H](O[C@H]2[C@@H](O[C@@H]([C@H]([C@@H]2O)O)C(=O)[O-])O[C@H]2CC[C@]3([C@H](C2(C)C)CC[C@@]2([C@@H]3CC=C3[C@@]2(C)CC[C@@]2([C@H]3CC(C)(C)C[C@H]2O)C)C)C)[C@@H]([C@H]([C@@H]1O)O)O |
| Standard InCHI | InChI=1S/C42H68O13/c1-37(2)17-21-20-9-10-24-40(6)13-12-26(38(3,4)23(40)11-14-42(24,8)41(20,7)16-15-39(21,5)25(44)18-37)53-36-33(30(48)29(47)32(54-36)34(50)51)55-35-31(49)28(46)27(45)22(19-43)52-35/h9,21-33,35-36,43-49H,10-19H2,1-8H3,(H,50,51)/p-1/t21-,22+,23-,24+,25+,26-,27+,28-,29-,30-,31+,32-,33+,35-,36+,39+,40-,41+,42+/m0/s1 |
| Standard InCHIKey | PPWWANBMWAQXLQ-TWGQJFIHSA-M |
| External Identifiers | ChEMBL [N/A]; PubChem [102500449]; |
| Reference of Component-Ingredient Pair | 27520439 |
Occurrence of the ingredient across TCM components
Ingredient ID: TCMC6668
Formula: C21H24O11
Ingredient ID: TCMC6668
| Common Name | Catechin-7-O-Β-D-Glucopyranoside |
| IUPAC Name | (2S,4S,5S)-2-[[(2R,3S)-2-(3,4-dihydroxyphenyl)-3,5-dihydroxy-3,4-dihydro-2H-chromen-7-yl]oxy]-6-(hydroxymethyl)oxane-3,4,5-triol |
| Canonical SMILES | OCC1O[C@@H](Oc2cc3O[C@@H]([C@H](Cc3c(c2)O)O)c2ccc(c(c2)O)O)C([C@H]([C@@H]1O)O)O |
| Standard InCHI | InChI=1S/C21H24O11/c22-7-16-17(27)18(28)19(29)21(32-16)30-9-4-12(24)10-6-14(26)20(31-15(10)5-9)8-1-2-11(23)13(25)3-8/h1-5,14,16-29H,6-7H2/t14-,16?,17+,18-,19?,20+,21+/m0/s1 |
| Standard InCHIKey | VLFIBROLAXKPQK-RJNJCGSWSA-N |
| External Identifiers | ChEMBL [N/A]; PubChem [44257085]; |
| Reference of Component-Ingredient Pair | N/A |
Occurrence of the ingredient across TCM components
Ingredient ID: TCMC6461
Formula: C48H78O18
Ingredient ID: TCMC6461
| Common Name | Azukisaponin V |
| IUPAC Name | (2S,3S,4S,5R,6R)-6-[[(3S,4S,4aR,6aR,6bS,8aR,9R,12aS,14aR,14bR)-9-hydroxy-4-(hydroxymethyl)-4,6a,6b,8a,11,11,14b-heptamethyl-1,2,3,4a,5,6,7,8,9,10,12,12a,14,14a-tetradecahydropicen-3-yl]oxy]-5-[(2S,3R,4S,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)-3-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-2-yl]oxy-3,4-dihydroxyoxane-2-carboxylic acid |
| Canonical SMILES | OC[C@H]1O[C@@H](O[C@H]2[C@@H](O[C@@H]([C@H]([C@@H]2O)O)C(=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)C[C@H]2O)C)C)C)[C@@H]([C@H]([C@@H]1O)O)O[C@@H]1O[C@@H](C)[C@@H]([C@H]([C@H]1O)O)O |
| Standard InCHI | InChI=1S/C48H78O18/c1-21-29(52)31(54)35(58)40(61-21)65-37-32(55)30(53)24(19-49)62-41(37)66-38-34(57)33(56)36(39(59)60)64-42(38)63-28-12-13-45(5)25(46(28,6)20-50)11-14-48(8)26(45)10-9-22-23-17-43(2,3)18-27(51)44(23,4)15-16-47(22,48)7/h9,21,23-38,40-42,49-58H,10-20H2,1-8H3,(H,59,60)/p-1/t21-,23-,24+,25+,26+,27+,28-,29-,30+,31+,32-,33-,34-,35+,36-,37+,38+,40-,41-,42+,44+,45-,46+,47+,48+/m0/s1 |
| Standard InCHIKey | PTDAHAWQAGSZDD-NADIDOHQSA-M |
| External Identifiers | ChEMBL [N/A]; PubChem [21607812]; |
| Reference of Component-Ingredient Pair | 1367788 |
Occurrence of the ingredient across TCM components
Ingredient ID: TCMC5993
Formula: C42H68O14
Ingredient ID: TCMC5993
| Common Name | Azukisaponin Ii |
| IUPAC Name | (2S,3S,4S,5R,6R)-6-[[(3S,4S,4aR,6aR,6bS,8aR,9R,12aS,14aR,14bR)-9-hydroxy-4-(hydroxymethyl)-4,6a,6b,8a,11,11,14b-heptamethyl-1,2,3,4a,5,6,7,8,9,10,12,12a,14,14a-tetradecahydropicen-3-yl]oxy]-3,4-dihydroxy-5-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxane-2-carboxylic acid |
| Canonical SMILES | OC[C@H]1O[C@@H](O[C@H]2[C@@H](O[C@@H]([C@H]([C@@H]2O)O)C(=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)C[C@H]2O)C)C)C)[C@@H]([C@H]([C@@H]1O)O)O |
| Standard InCHI | InChI=1S/C42H68O14/c1-37(2)16-21-20-8-9-24-39(4)12-11-26(40(5,19-44)23(39)10-13-42(24,7)41(20,6)15-14-38(21,3)25(45)17-37)54-36-33(30(49)29(48)32(55-36)34(51)52)56-35-31(50)28(47)27(46)22(18-43)53-35/h8,21-33,35-36,43-50H,9-19H2,1-7H3,(H,51,52)/p-1/t21-,22+,23+,24+,25+,26-,27+,28-,29-,30-,31+,32-,33+,35-,36+,38+,39-,40+,41+,42+/m0/s1 |
| Standard InCHIKey | OKIHRVKXRCAJFQ-RVAPODRHSA-M |
| External Identifiers | ChEMBL [N/A]; PubChem [13326387]; |
| Reference of Component-Ingredient Pair | 1368366 |
Occurrence of the ingredient across TCM components
Ingredient ID: TCMC5650
Formula: C30H26O12
Ingredient ID: TCMC5650
| Common Name | Procyanidin B1 |
| IUPAC Name | (2R,3S)-2-(3,4-dihydroxyphenyl)-8-[(2R,3R,4R)-2-(3,4-dihydroxyphenyl)-3,5,7-trihydroxy-3,4-dihydro-2H-chromen-4-yl]-3,4-dihydro-2H-chromene-3,5,7-triol |
| Canonical SMILES | Oc1cc(O)c2c(c1)O[C@@H]([C@@H]([C@H]2c1c(O)cc(c2c1O[C@@H]([C@H](C2)O)c1ccc(c(c1)O)O)O)O)c1ccc(c(c1)O)O |
| Standard InCHI | InChI=1S/C30H26O12/c31-13-7-20(37)24-23(8-13)41-29(12-2-4-16(33)19(36)6-12)27(40)26(24)25-21(38)10-17(34)14-9-22(39)28(42-30(14)25)11-1-3-15(32)18(35)5-11/h1-8,10,22,26-29,31-40H,9H2/t22-,26+,27+,28+,29+/m0/s1 |
| Standard InCHIKey | XFZJEEAOWLFHDH-UKWJTHFESA-N |
| External Identifiers | ChEMBL [CHEMBL504937]; PubChem [11250133]; |
| Reference of Component-Ingredient Pair | 26037075 |
Occurrence of the ingredient across TCM components
Ingredient ID: TCMC4572
Formula: C20H18O5
Ingredient ID: TCMC4572
| Common Name | Lupiwighteone |
| IUPAC Name | 5,7-dihydroxy-3-(4-hydroxyphenyl)-8-(3-methylbut-2-enyl)chromen-4-one |
| Canonical SMILES | CC(=CCc1c(O)cc(c2c1occ(c2=O)c1ccc(cc1)O)O)C |
| Standard InCHI | InChI=1S/C20H18O5/c1-11(2)3-8-14-16(22)9-17(23)18-19(24)15(10-25-20(14)18)12-4-6-13(21)7-5-12/h3-7,9-10,21-23H,8H2,1-2H3 |
| Standard InCHIKey | YGCCASGFIOIXIN-UHFFFAOYSA-N |
| External Identifiers | ChEMBL [CHEMBL3616491]; PubChem [5317480]; |
| Reference of Component-Ingredient Pair | 22837700 |
Occurrence of the ingredient across TCM components
Ingredient ID: TCMC3856
Formula: C42H66O15
Ingredient ID: TCMC3856
| Common Name | Azukisaponin Iii |
| IUPAC Name | (2S,3S,4S,5R,6R)-6-[[(3S,4S,4aR,6aR,6bS,8aS,11R,12aR,14aR,14bR)-11-carboxy-4-(hydroxymethyl)-4,6a,6b,8a,11,14b-hexamethyl-1,2,3,4a,5,6,7,8,9,10,12,12a,14,14a-tetradecahydropicen-3-yl]oxy]-3,4-dihydroxy-5-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxane-2-carboxylic acid |
| Canonical SMILES | OC[C@H]1O[C@@H](O[C@H]2[C@@H](O[C@@H]([C@H]([C@@H]2O)O)C(=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]3C[C@@](C)(CC2)C(=O)[O-])C)C)C)[C@@H]([C@H]([C@@H]1O)O)O |
| Standard InCHI | InChI=1S/C42H66O15/c1-37-13-14-38(2,36(52)53)17-21(37)20-7-8-24-39(3)11-10-25(40(4,19-44)23(39)9-12-42(24,6)41(20,5)16-15-37)55-35-32(29(48)28(47)31(56-35)33(50)51)57-34-30(49)27(46)26(45)22(18-43)54-34/h7,21-32,34-35,43-49H,8-19H2,1-6H3,(H,50,51)(H,52,53)/p-2/t21-,22+,23+,24+,25-,26+,27-,28-,29-,30+,31-,32+,34-,35+,37+,38+,39-,40+,41+,42+/m0/s1 |
| Standard InCHIKey | FXYSHYMHTAACSV-FTHMGGAWSA-L |
| External Identifiers | ChEMBL [N/A]; PubChem [441909]; |
| Reference of Component-Ingredient Pair | N/A |
Occurrence of the ingredient across TCM components
Ingredient ID: TCMC1530
Formula: C6H6O3
Ingredient ID: TCMC1530
| Common Name | Maltol |
| IUPAC Name | 3-hydroxy-2-methylpyran-4-one |
| Canonical SMILES | O=c1ccoc(c1O)C |
| Standard InCHI | InChI=1S/C6H6O3/c1-4-6(8)5(7)2-3-9-4/h2-3,8H,1H3 |
| Standard InCHIKey | XPCTZQVDEJYUGT-UHFFFAOYSA-N |
| External Identifiers | ChEMBL [CHEMBL31422]; PubChem [8369]; |
| Reference of Component-Ingredient Pair | 22542289 |
Occurrence of the ingredient across TCM components
| Component ID | Latin Name | Pinyin Name | Chinese Name |
|---|---|---|---|
| TCMH1423 | Ophiopogon japonicus | Mai Dong | 麦冬 |
| TCMH1424 | Ophiopogon japonicus | Mai Dong Men | 麦冬门 |
| TCMH1425 | Ophiopogon japonicus | Mai Dong Rou | 麦冬肉 |
| TCMH1428 | Ophiopogon japonicus | Mai Men Dong | 麦门冬 |
| TCMH1721 | Panax ginseng | Ren Shen | 人参 |
| TCMH1728 | Panax ginseng | Ren Shen Ye | 人参叶 |
| TCMH1770 | Panax notoginseng | San Qi Gan Jin Gao | 三七干浸膏 |
| TCMH1771 | Panax notoginseng | San Qi Gao Fen | 三七膏粉 |
| TCMH1772 | Panax notoginseng | San Qi Hua | 三七花 |
| TCMH1774 | Panax notoginseng | San Qi Jing Ye | 三七茎叶 |
Showing 1 to 10 of 20 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
Properties
| Ingredient ID | Formulae | Name | MW | AlogP | MlogP | XlogP | # HBA | # HBD | PSA | # Rotatable Bond | # Ring | # Heacy Atom | Lipinski RO5 Violation |
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| TCMC1502 | C34H46O18 | Liriodendrtachioside | 742.27 | -5.6196 | 3.22 | -1.42 | 12 | 8 | 254.14 | 24 | 6 | 52 | 3 |
| TCMC1530 | C6H6O3 | Maltol | 126.03 | -0.6804 | 1.79 | 0.907 | 3 | 1 | 46.53 | 2 | 1 | 9 | 0 |
| TCMC3856 | C42H66O15 | Azukisaponin Iii | 808.4245213 | -3.7081 | 4.43 | 4.041 | 15 | 7 | 258.79 | 8 | 7 | 57 | 2 |
| TCMC4572 | C20H18O5 | Lupiwighteone | 338.1154237 | 0.0222 | 3.11 | 2.68 | 4 | 3 | 77.76 | 3 | 3 | 25 | 0 |
| TCMC5650 | C30H26O12 | Procyanidin B1 | 578.1424263 | -5.1813 | 3.44 | 0.165 | 2 | 10 | 220.76 | 3 | 6 | 42 | 1 |
| TCMC5993 | C42H68O14 | Azukisaponin Ii | 795.4530818 | -2.7216 | 4.54 | 4.509 | 14 | 8 | 238.89 | 7 | 7 | 56 | 2 |
| TCMC6461 | C48H78O18 | Azukisaponin V | 941.5109906 | -3.9685 | 4.76 | 3.675 | 18 | 10 | 297.81 | 9 | 8 | 66 | 2 |
| TCMC6668 | C21H24O11 | Catechin-7-O-Β-D-Glucopyranoside | 452.1318616 | -4.2409 | 2.56 | -0.702 | 6 | 8 | 189.53 | 4 | 4 | 32 | 1 |
| TCMC7302 | C42H68O13 | Azukisaponin I | 779.4581672 | -1.6309 | 4.65 | 5.641 | 13 | 7 | 218.66 | 6 | 7 | 55 | 3 |
| TCMC921 | C14H12O3 | Cis-Resveratrol | 228.08 | -0.9131 | 2.67 | 3.436 | 0 | 3 | 60.69 | 5 | 2 | 17 | 0 |
Showing 1 to 10 of 10 entries
Download Data
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