Description of the Component
Component ID |
TCMH2052 |
Latin Name |
Ziziphus jujuba var. spinosa |
English Name |
Spine date seed |
Chinese Pinyin Name |
Suan Zao Ren |
中文名 |
酸枣仁 |
TCM Properties |
Mild,Sweet,Sour |
TCM Meridians |
Spleen,Liver,Heart,Gallbladder |
Therapeutic Class English |
Spirit calming |
Therapeutic Class Chinese |
安神 |
Functions |
replenish the liver, cause tranquilizations arrest excessive perspiration, and promote the production of body fluid |
Toxicity |
NA |
Geo-authentic habitats (道地产区) |
Hebei Province,Beijing,Tianjin |
Reference |
Chinese Pharmacopoeia (2015) |
Barcode ID |
ITSAM943-14 |
Barcode Source |
BOLDSYSTEMS |
TCM Prescriptions with the Component
| Prescription ID | Prescription English Name | Prescription Chinese Name |
|---|---|---|
| TCMF1118 | Jie Yu An Shen Granules | 解郁安神颗粒 |
| TCMF1349 | Brain-Invigorating and Kidney-Tonifying Pill | 健脑补肾丸 |
| TCMF1377 | Renshen Jianpi Pills | 人参健脾丸 |
| TCMF1394 | Baizi Yangxin Pills | 柏子养心丸 |
| TCMF1421 | Guilu Bushen Pills | 龟鹿补肾丸 |
| TCMF1422 | Tianwang Buxin Pills | 天王补心丸 |
| TCMF1732 | Decoction of Ziziphi Spinosae, Wild Jujube Seed Decoction; Ziziphus Decoction | 酸枣仁汤 |
| TCMF19 | Shen Wu Jian Nao Capsule | 参乌健脑胶囊 |
| TCMF1917 | Bitter Shen Decoction for Modulating Heart Bit | 苦参汤 |
| TCMF2092 | Double Yin Fries | 二阴煎 |
Showing 1 to 10 of 160 entries
Targeted Human Proteins by the Ingredient of Component
| Target ID | Gene Symbol | Target Name | Target Class | Uniprot ID |
|---|---|---|---|---|
| TCMT11 | HIF1A | Hypoxia-inducible factor 1 alpha | Transcription factor | Q16665 |
| TCMT150 | RORC | Nuclear receptor ROR-gamma | Nuclear receptor | P51449 |
| TCMT156 | CYP19A1 | Cytochrome P450 19A1 | Oxidoreductase | P11511 |
| TCMT159 | TYR | Tyrosinase | Oxidoreductase | P14679 |
| TCMT17 | POLB | DNA polymerase beta | Transferase | P06746 |
| TCMT18 | GAA | Lysosomal alpha-glucosidase | Hydrolase | P10253 |
| TCMT2 | MAPT | Microtubule-associated protein tau | Unclassified | P10636 |
| TCMT236 | ESR2 | Estrogen receptor beta | Nuclear receptor | Q92731 |
| TCMT276 | SLCO2B1 | Solute carrier organic anion transporter family member 2B1 | Transporter | O94956 |
| TCMT277 | SLCO1B3 | Solute carrier organic anion transporter family member 1B3 | Transporter | Q9NPD5 |
Showing 1 to 10 of 24 entries
Targeted Pathogenic Microbes by the Ingredient of Component
| Target ID | Target Name |
|---|---|
| TCMT1218 | Staphylococcus aureus |
| TCMT1223 | Staphylococcus epidermidis |
| TCMT1246 | Escherichia coli |
| TCMT1361 | Neisseria meningitidis |
| TCMT1382 | Plasmodium falciparum (isolate K1 / Thailand) |
| TCMT1442 | Leishmania donovani |
| TCMT1454 | Bacillus subtilis |
| TCMT1463 | Mycobacterium tuberculosis |
Showing 1 to 8 of 8 entries
Ingredient Structrues
Ingredient ID: TCMC999
Formula: C10H20O2
Ingredient ID: TCMC999
| Common Name | Decanoic Acid |
| IUPAC Name | decanoic acid |
| Canonical SMILES | CCCCCCCCCC(=O)O |
| Standard InCHI | InChI=1S/C10H20O2/c1-2-3-4-5-6-7-8-9-10(11)12/h2-9H2,1H3,(H,11,12) |
| Standard InCHIKey | GHVNFZFCNZKVNT-UHFFFAOYSA-N |
| External Identifiers | ChEMBL [CHEMBL107498]; PubChem [2969]; |
| Reference of Component-Ingredient Pair | 29968805 |
Occurrence of the ingredient across TCM components
| Component ID | Latin Name | Pinyin Name | Chinese Name |
|---|---|---|---|
| TCMH1127 | Lonicera japonica | Jin Yin Hua | 金银花 |
| TCMH1128 | Lonicera japonica | Jin Yin Hua Ti Qu Ye | 金银花提取液 |
| TCMH114 | Platycladus orientalis | Bai Ye | 柏叶 |
| TCMH1178 | Citrus reticulata | Ju He | 橘核 |
| TCMH1184 | Citrus reticulata | Ju Pi | 橘皮 |
| TCMH1292 | Radix smilacis | Ling Xian | 灵仙 |
| TCMH1343 | Aloe vera | Lu Hui | 芦荟 |
| TCMH1469 | Flos mume | Mei Hua | 梅花 |
| TCMH147 | Glehnia littoralis | Bei Sha Shen | 北沙参 |
| TCMH148 | Glehnia littoralis | Bei Sha Shen Liu Jin Gao | 北沙参流浸膏 |
Showing 1 to 10 of 68 entries
Ingredient ID: TCMC950
Formula: C15H8O5
Ingredient ID: TCMC950
| Common Name | Coumestrol |
| IUPAC Name | 3,9-dihydroxy-[1]benzofuro[3,2-c]chromen-6-one |
| Canonical SMILES | Oc1ccc2c(c1)oc(=O)c1c2oc2c1ccc(c2)O |
| Standard InCHI | InChI=1S/C15H8O5/c16-7-1-3-9-11(5-7)19-14-10-4-2-8(17)6-12(10)20-15(18)13(9)14/h1-6,16-17H |
| Standard InCHIKey | ZZIALNLLNHEQPJ-UHFFFAOYSA-N |
| External Identifiers | ChEMBL [CHEMBL30707]; PubChem [5281707]; |
| Reference of Component-Ingredient Pair | 29152682 |
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 |
| TCMH1734 | Homo sapiens | Ren Zhong Bai | 人中白 |
| TCMH2051 | Ziziphus jujuba var. spinosa | Suan Zao | 酸枣 |
| TCMH2052 | Ziziphus jujuba var. spinosa | Suan Zao Ren | 酸枣仁 |
| TCMH2573 | Ziziphus jujuba var. spinosa | Zao Ren | 枣仁 |
| TCMH2710 | Homo sapiens | Zi He Che | 紫河车 |
| TCMH388 | Ziziphus jujuba | Da Zao | 大枣 |
| TCMH397 | Glycine max | Dan Dou Gu | 淡豆鼓 |
Showing 1 to 10 of 17 entries
Ingredient ID: TCMC7255
Formula: C58H94O26
Ingredient ID: TCMC7255
| Common Name | Jujuboside A |
| IUPAC Name | (2S,3R,4R,5R,6S)-2-[(2S,3R,4S,5S)-4-[(2S,3R,4S,5S,6R)-4,5-dihydroxy-6-[[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]-3-[(2S,3R,4S,5R)-3,4,5-trihydroxyoxan-2-yl]oxyoxan-2-yl]oxy-5-hydroxy-2-[[(1S,2R,5R,7S,10R,11R,14R,15S,16S,18S,20S)-16-hydroxy-2,6,6,10,16-pentamethyl-18-(2-methylprop-1-enyl)-19,21-dioxahexacyclo[18.2.1.01,14.02,11.05,10.015,20]tricosan-7-yl]oxy]oxan-3-yl]oxy-6-methyloxane-3,4,5-triol |
| Canonical SMILES | OC[C@H]1O[C@@H](OC[C@H]2O[C@@H](O[C@H]3[C@@H](O)CO[C@H]([C@@H]3O[C@@H]3O[C@@H](C)[C@@H]([C@H]([C@H]3O)O)O)O[C@H]3CC[C@]4([C@H](C3(C)C)CC[C@@]3([C@@H]4CC[C@H]4[C@@]53CO[C@]3(C5)[C@@H]4[C@@](C)(O)C[C@H](O3)C=C(C)C)C)C)[C@@H]([C@H]([C@@H]2O)O)O[C@@H]2OC[C@H]([C@@H]([C@H]2O)O)O)[C@@H]([C@H]([C@@H]1O)O)O |
| Standard InCHI | InChI=1S/C58H94O26/c1-23(2)15-25-16-56(8,72)47-26-9-10-32-54(6)13-12-33(53(4,5)31(54)11-14-55(32,7)57(26)21-58(47,84-25)76-22-57)80-51-46(83-50-43(71)38(66)34(62)24(3)77-50)44(28(61)19-74-51)81-52-45(82-49-41(69)35(63)27(60)18-73-49)40(68)37(65)30(79-52)20-75-48-42(70)39(67)36(64)29(17-59)78-48/h15,24-52,59-72H,9-14,16-22H2,1-8H3/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-,54-,55+,56-,57-,58-/m0/s1 |
| Standard InCHIKey | KVKRFLVYJLIZFD-USKROIRSSA-N |
| External Identifiers | ChEMBL [N/A]; PubChem [102004533]; |
| Reference of Component-Ingredient Pair | 15040089 |
Occurrence of the ingredient across TCM components
Ingredient ID: TCMC7254
Formula: C52H84O21
Ingredient ID: TCMC7254
| Common Name | Jujuboside B |
| IUPAC Name | (2S,3R,4R,5R,6S)-2-[(2S,3R,4S,5S)-4-[(2S,3R,4S,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)-3-[(2S,3R,4S,5R)-3,4,5-trihydroxyoxan-2-yl]oxyoxan-2-yl]oxy-5-hydroxy-2-[[(1S,2R,5R,7S,10R,11R,14R,15S,16S,18S,20S)-16-hydroxy-2,6,6,10,16-pentamethyl-18-(2-methylprop-1-enyl)-19,21-dioxahexacyclo[18.2.1.01,14.02,11.05,10.015,20]tricosan-7-yl]oxy]oxan-3-yl]oxy-6-methyloxane-3,4,5-triol |
| Canonical SMILES | OC[C@H]1O[C@@H](O[C@H]2[C@@H](O)CO[C@H]([C@@H]2O[C@@H]2O[C@@H](C)[C@@H]([C@H]([C@H]2O)O)O)O[C@H]2CC[C@]3([C@H](C2(C)C)CC[C@@]2([C@@H]3CC[C@H]3[C@@]42CO[C@]2(C4)[C@@H]3[C@@](C)(O)C[C@H](O2)C=C(C)C)C)C)[C@@H]([C@H]([C@@H]1O)O)O[C@@H]1OC[C@H]([C@@H]([C@H]1O)O)O |
| Standard InCHI | InChI=1S/C52H84O21/c1-22(2)15-24-16-50(8,63)42-25-9-10-30-48(6)13-12-31(47(4,5)29(48)11-14-49(30,7)51(25)20-52(42,73-24)66-21-51)69-45-41(72-44-38(62)35(59)32(56)23(3)67-44)39(27(55)19-65-45)70-46-40(36(60)34(58)28(17-53)68-46)71-43-37(61)33(57)26(54)18-64-43/h15,23-46,53-63H,9-14,16-21H2,1-8H3/t23-,24+,25+,26+,27-,28+,29-,30+,31-,32-,33-,34+,35+,36-,37+,38+,39-,40+,41+,42-,43-,44-,45-,46-,48-,49+,50-,51-,52-/m0/s1 |
| Standard InCHIKey | OAVAUZCEOWCYCC-VHRIIAKOSA-N |
| External Identifiers | ChEMBL [N/A]; PubChem [102004532]; |
| Reference of Component-Ingredient Pair | 25422554 |
Occurrence of the ingredient across TCM components
Ingredient ID: TCMC7165
Formula: C37H38O17
Ingredient ID: TCMC7165
| Common Name | 6'-P-Coumaroylspinosin |
| IUPAC Name | [(2R,3S,4S,5R,6S)-6-[(2S,3R,4S,5S,6R)-4,5-dihydroxy-2-[5-hydroxy-2-(4-hydroxyphenyl)-7-methoxy-4-oxochromen-6-yl]-6-(hydroxymethyl)oxan-3-yl]oxy-3,4,5-trihydroxyoxan-2-yl]methyl (E)-3-(4-hydroxyphenyl)prop-2-enoate |
| Canonical SMILES | OC[C@H]1O[C@H]([C@@H]([C@H]([C@@H]1O)O)O[C@@H]1O[C@H](COC(=O)/C=C/c2ccc(cc2)O)[C@H]([C@@H]([C@H]1O)O)O)c1c(OC)cc2c(c1O)c(=O)cc(o2)c1ccc(cc1)O |
| Standard InCHI | InChI=1S/C37H38O17/c1-49-22-13-23-27(20(41)12-21(51-23)17-5-9-19(40)10-6-17)31(45)28(22)35-36(33(47)29(43)24(14-38)52-35)54-37-34(48)32(46)30(44)25(53-37)15-50-26(42)11-4-16-2-7-18(39)8-3-16/h2-13,24-25,29-30,32-40,43-48H,14-15H2,1H3/b11-4+/t24-,25-,29-,30-,32+,33+,34-,35+,36-,37+/m1/s1 |
| Standard InCHIKey | GIFDFLYIKYFTAD-KZOQXDEYSA-N |
| External Identifiers | ChEMBL [N/A]; PubChem [101616451]; |
| Reference of Component-Ingredient Pair | N/A |
Occurrence of the ingredient across TCM components
Ingredient ID: TCMC6708
Formula: C32H46N4O5
Ingredient ID: TCMC6708
| Common Name | Sanjoinine D |
| IUPAC Name | (2S)-2-(dimethylamino)-N-[(3S,4S,7S,11R)-11-methoxy-7-(2-methylpropyl)-5,8-dioxo-3-propan-2-yl-2-oxa-6,9-diazabicyclo[10.2.2]hexadeca-1(14),12,15-trien-4-yl]-3-phenylpropanamide |
| Canonical SMILES | CO[C@H]1CNC(=O)[C@H](CC(C)C)NC(=O)[C@H]([C@@H](Oc2ccc1cc2)C(C)C)NC(=O)[C@@H]([NH+](C)C)Cc1ccccc1 |
| Standard InCHI | InChI=1S/C32H46N4O5/c1-20(2)17-25-30(37)33-19-27(40-7)23-13-15-24(16-14-23)41-29(21(3)4)28(32(39)34-25)35-31(38)26(36(5)6)18-22-11-9-8-10-12-22/h8-16,20-21,25-29H,17-19H2,1-7H3,(H,33,37)(H,34,39)(H,35,38)/p+1/t25-,26-,27-,28-,29-/m0/s1 |
| Standard InCHIKey | BINQKWRSNMBDHS-ZIUUJSQJSA-O |
| External Identifiers | ChEMBL [CHEMBL463694]; PubChem [44566617]; |
| Reference of Component-Ingredient Pair | N/A |
Occurrence of the ingredient across TCM components
Ingredient ID: TCMC6447
Formula: C38H40O18
Ingredient ID: TCMC6447
| Common Name | 6'-Feruloylspinosin |
| IUPAC Name | [(2R,3S,4S,5R,6S)-6-[(2S,3R,4S,5S,6R)-4,5-dihydroxy-2-[5-hydroxy-2-(4-hydroxyphenyl)-7-methoxy-4-oxochromen-6-yl]-6-(hydroxymethyl)oxan-3-yl]oxy-3,4,5-trihydroxyoxan-2-yl]methyl (E)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoate |
| Canonical SMILES | OC[C@H]1O[C@H]([C@@H]([C@H]([C@@H]1O)O)O[C@@H]1O[C@H](COC(=O)/C=C/c2ccc(c(c2)OC)O)[C@H]([C@@H]([C@H]1O)O)O)c1c(OC)cc2c(c1O)c(=O)cc(o2)c1ccc(cc1)O |
| Standard InCHI | InChI=1S/C38H40O18/c1-50-22-11-16(3-9-19(22)41)4-10-27(43)52-15-26-31(45)33(47)35(49)38(55-26)56-37-34(48)30(44)25(14-39)54-36(37)29-23(51-2)13-24-28(32(29)46)20(42)12-21(53-24)17-5-7-18(40)8-6-17/h3-13,25-26,30-31,33-41,44-49H,14-15H2,1-2H3/b10-4+/t25-,26-,30-,31-,33+,34+,35-,36+,37-,38+/m1/s1 |
| Standard InCHIKey | WZAXZHIVHPRTIU-IHIXZLSHSA-N |
| External Identifiers | ChEMBL [N/A]; PubChem [21597353]; |
| Reference of Component-Ingredient Pair | 22115038 |
Occurrence of the ingredient across TCM components
Ingredient ID: TCMC6257
Formula: C30H46O3
Ingredient ID: TCMC6257
| Common Name | Ebelin Lactone |
| IUPAC Name | (1S,2R,4aR,4bR,7S,8aR,10aR)-2-[(1E,3E)-2,6-dimethylhepta-1,3,5-trienyl]-7-hydroxy-4b,8,8,10a-tetramethylspiro[2,3,4,4a,5,6,7,8a,9,10-decahydrophenanthrene-1,4'-oxolane]-2'-one |
| Canonical SMILES | O=C1OC[C@@]2(C1)[C@H](CC[C@H]1[C@@]2(C)CC[C@@H]2[C@]1(C)CC[C@@H](C2(C)C)O)/C=C(/C=C/C=C(C)C)C |
| Standard InCHI | InChI=1S/C30H46O3/c1-20(2)9-8-10-21(3)17-22-11-12-24-28(6)15-14-25(31)27(4,5)23(28)13-16-29(24,7)30(22)18-26(32)33-19-30/h8-10,17,22-25,31H,11-16,18-19H2,1-7H3/b10-8+,21-17+/t22-,23+,24-,25+,28+,29-,30+/m1/s1 |
| Standard InCHIKey | TUWRBFMVJOJFCL-SZGKVTBMSA-N |
| External Identifiers | ChEMBL [N/A]; PubChem [15559069]; |
| Reference of Component-Ingredient Pair | N/A |
Occurrence of the ingredient across TCM components
Ingredient ID: TCMC553
Formula: C6H6O3
Ingredient ID: TCMC553
| Common Name | 5-Hydroxymethyl-Furfural |
| IUPAC Name | 5-(hydroxymethyl)furan-2-carbaldehyde |
| Canonical SMILES | OCc1ccc(o1)C=O |
| Standard InCHI | InChI=1S/C6H6O3/c7-3-5-1-2-6(4-8)9-5/h1-3,8H,4H2 |
| Standard InCHIKey | NOEGNKMFWQHSLB-UHFFFAOYSA-N |
| External Identifiers | ChEMBL [CHEMBL185885]; PubChem [237332]; |
| Reference of Component-Ingredient Pair | 22953879 |
Occurrence of the ingredient across TCM components
| Component ID | Latin Name | Pinyin Name | Chinese Name |
|---|---|---|---|
| TCMH1008 | Pogostemon cablin | Huo Xiang | 藿香 |
| TCMH1009 | Pogostemon cablin | Huo Xiang Ye | 藿香叶 |
| TCMH1160 | Polygonatum sibiricum | Jiu Huang Jing | 酒黄精 |
| TCMH1175 | Cornus officinalis | Jiu Yu Rou | 酒萸肉 |
| TCMH1178 | Citrus reticulata | Ju He | 橘核 |
| TCMH1179 | Citri exocarpium rubrum | Ju Hong | 橘红 |
| TCMH1184 | Citrus reticulata | Ju Pi | 橘皮 |
| TCMH1185 | Lycium chinense | Gou Qi | 枸杞 |
| TCMH1186 | Lycium chinense | Gou Qi Zi | 枸杞子 |
| TCMH122 | Lobelia chinensis | Ban Bian Lian | 半边莲 |
Showing 1 to 10 of 90 entries
Ingredient ID: TCMC5423
Formula: C31H44N4O5
Ingredient ID: TCMC5423
| Common Name | Sanjoinine G1 |
| IUPAC Name | (2S)-2-(dimethylamino)-N-[(3S,4S,7S,11R)-11-hydroxy-7-(2-methylpropyl)-5,8-dioxo-3-propan-2-yl-2-oxa-6,9-diazabicyclo[10.2.2]hexadeca-1(14),12,15-trien-4-yl]-3-phenylpropanamide |
| Canonical SMILES | CC(C[C@@H]1NC(=O)[C@@H](NC(=O)[C@@H]([NH+](C)C)Cc2ccccc2)[C@@H](Oc2ccc([C@H](CNC1=O)O)cc2)C(C)C)C |
| Standard InCHI | InChI=1S/C31H44N4O5/c1-19(2)16-24-29(37)32-18-26(36)22-12-14-23(15-13-22)40-28(20(3)4)27(31(39)33-24)34-30(38)25(35(5)6)17-21-10-8-7-9-11-21/h7-15,19-20,24-28,36H,16-18H2,1-6H3,(H,32,37)(H,33,39)(H,34,38)/p+1/t24-,25-,26-,27-,28-/m0/s1 |
| Standard InCHIKey | HEBPXDNWUOXIPK-XLIKFSOKSA-O |
| External Identifiers | ChEMBL [CHEMBL463693]; PubChem [10460277]; |
| Reference of Component-Ingredient Pair | 11804488 |
Occurrence of the ingredient across TCM components
Ingredient ID: TCMC4260
Formula: C17H15NO3
Ingredient ID: TCMC4260
| Common Name | Juzirine |
| IUPAC Name | 1-[(4-hydroxyphenyl)methyl]-6-methoxyisoquinolin-7-ol |
| Canonical SMILES | COc1cc2ccnc(c2cc1O)Cc1ccc(cc1)O |
| Standard InCHI | InChI=1S/C17H15NO3/c1-21-17-9-12-6-7-18-15(14(12)10-16(17)20)8-11-2-4-13(19)5-3-11/h2-7,9-10,19-20H,8H2,1H3 |
| Standard InCHIKey | XUCRLUHFLBPVRO-UHFFFAOYSA-N |
| External Identifiers | ChEMBL [N/A]; PubChem [3085285]; |
| Reference of Component-Ingredient Pair | 16400942 |
Occurrence of the ingredient across TCM components
Ingredient ID: TCMC3726
Formula: C18H19NO2
Ingredient ID: TCMC3726
| Common Name | N-Methylasimilobine |
| IUPAC Name | (6aR)-1-methoxy-6-methyl-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinolin-2-ol |
| Canonical SMILES | COc1c(O)cc2c3c1c1ccccc1C[C@H]3[NH+](CC2)C |
| Standard InCHI | InChI=1S/C18H19NO2/c1-19-8-7-12-10-15(20)18(21-2)17-13-6-4-3-5-11(13)9-14(19)16(12)17/h3-6,10,14,20H,7-9H2,1-2H3/p+1/t14-/m1/s1 |
| Standard InCHIKey | AKXOIHNFHOEPHN-CQSZACIVSA-O |
| External Identifiers | ChEMBL [CHEMBL2316499]; PubChem [197017]; |
| Reference of Component-Ingredient Pair | 10785417 |
Occurrence of the ingredient across TCM components
Ingredient ID: TCMC369
Formula: C8H18O
Ingredient ID: TCMC369
| Common Name | 2-Ethylhexan-1-Ol |
| IUPAC Name | 2-ethylhexan-1-ol |
| Canonical SMILES | CCCCC(CO)CC |
| Standard InCHI | InChI=1S/C8H18O/c1-3-5-6-8(4-2)7-9/h8-9H,3-7H2,1-2H3 |
| Standard InCHIKey | YIWUKEYIRIRTPP-UHFFFAOYSA-N |
| External Identifiers | ChEMBL [CHEMBL31637]; PubChem [7720]; |
| Reference of Component-Ingredient Pair | 22989014 |
Occurrence of the ingredient across TCM components
| Component ID | Latin Name | Pinyin Name | Chinese Name |
|---|---|---|---|
| TCMH1127 | Lonicera japonica | Jin Yin Hua | 金银花 |
| TCMH1128 | Lonicera japonica | Jin Yin Hua Ti Qu Ye | 金银花提取液 |
| TCMH12 | Artemisia argyi | Ai Ye | 艾叶 |
| TCMH1296 | Ganoderma lucidum | Ling Zhi Jin Gao | 灵芝浸膏 |
| TCMH1299 | Ganoderma lucidum | Ling Zhi(1) | 灵芝 |
| TCMH13 | Artemisia argyi | Ai Ye You | 艾叶油 |
| 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 |
| TCMH1714 | Lonicera japonica | Ren Dong Teng | 忍冬藤 |
Showing 1 to 10 of 28 entries
Ingredient ID: TCMC3595
Formula: C30H46O5
Ingredient ID: TCMC3595
| Common Name | Ceanothic Acid |
| IUPAC Name | (1R,2R,5S,8R,9R,10R,13R,14R,15R,16S,18R)-16-hydroxy-1,2,14,17,17-pentamethyl-8-prop-1-en-2-ylpentacyclo[11.7.0.02,10.05,9.014,18]icosane-5,15-dicarboxylic acid |
| Canonical SMILES | CC(=C)[C@@H]1CC[C@]2([C@H]1[C@H]1CC[C@H]3[C@@]([C@]1(C)CC2)(C)CC[C@@H]1[C@]3(C)[C@@H](C(=O)[O-])[C@@H](C1(C)C)O)C(=O)[O-] |
| Standard InCHI | InChI=1S/C30H46O5/c1-16(2)17-10-13-30(25(34)35)15-14-27(5)18(21(17)30)8-9-20-28(27,6)12-11-19-26(3,4)23(31)22(24(32)33)29(19,20)7/h17-23,31H,1,8-15H2,2-7H3,(H,32,33)(H,34,35)/p-2/t17-,18+,19-,20-,21+,22+,23-,27+,28+,29-,30-/m0/s1 |
| Standard InCHIKey | WLCHQSHZHFLMJH-VILVJDKQSA-L |
| External Identifiers | ChEMBL [CHEMBL491069]; PubChem [161352]; |
| Reference of Component-Ingredient Pair | 25174108 |
Occurrence of the ingredient across TCM components
Ingredient ID: TCMC3537
Formula: C28H32O15
Ingredient ID: TCMC3537
| Common Name | Spinosin |
| IUPAC Name | 6-[(2S,3R,4S,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)-3-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]-5-hydroxy-2-(4-hydroxyphenyl)-7-methoxychromen-4-one |
| Canonical SMILES | OC[C@H]1O[C@H]([C@@H]([C@H]([C@@H]1O)O)O[C@@H]1O[C@H](CO)[C@H]([C@@H]([C@H]1O)O)O)c1c(OC)cc2c(c1O)c(=O)cc(o2)c1ccc(cc1)O |
| Standard InCHI | InChI=1S/C28H32O15/c1-39-14-7-15-18(12(32)6-13(40-15)10-2-4-11(31)5-3-10)22(35)19(14)26-27(24(37)21(34)16(8-29)41-26)43-28-25(38)23(36)20(33)17(9-30)42-28/h2-7,16-17,20-21,23-31,33-38H,8-9H2,1H3/t16-,17-,20-,21-,23+,24+,25-,26+,27-,28+/m1/s1 |
| Standard InCHIKey | VGGSULWDCMWZPO-ODEMIOGVSA-N |
| External Identifiers | ChEMBL [N/A]; PubChem [155692]; |
| Reference of Component-Ingredient Pair | 28744886 |
Occurrence of the ingredient across TCM components
Ingredient ID: TCMC3484
Formula: C28H32O15
Ingredient ID: TCMC3484
| Common Name | Zivulgarin |
| IUPAC Name | 6-[(2S,3R,4R,5S,6R)-3,4-dihydroxy-6-(hydroxymethyl)-5-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]-5-hydroxy-2-(4-hydroxyphenyl)-7-methoxychromen-4-one |
| Canonical SMILES | OC[C@H]1O[C@H]([C@@H]([C@H]([C@@H]1O[C@@H]1O[C@H](CO)[C@H]([C@@H]([C@H]1O)O)O)O)O)c1c(OC)cc2c(c1O)c(=O)cc(o2)c1ccc(cc1)O |
| Standard InCHI | InChI=1S/C28H32O15/c1-39-14-7-15-18(12(32)6-13(40-15)10-2-4-11(31)5-3-10)21(34)19(14)27-24(37)23(36)26(17(9-30)41-27)43-28-25(38)22(35)20(33)16(8-29)42-28/h2-7,16-17,20,22-31,33-38H,8-9H2,1H3/t16-,17-,20-,22+,23-,24-,25-,26-,27+,28+/m1/s1 |
| Standard InCHIKey | LTSHFAAMUZRJGB-OOAZWYKYSA-N |
| External Identifiers | ChEMBL [N/A]; PubChem [130957]; |
| Reference of Component-Ingredient Pair | 3618236 |
Occurrence of the ingredient across TCM components
Ingredient ID: TCMC3448
Formula: C22H22O10
Ingredient ID: TCMC3448
| Common Name | Swertisin |
| IUPAC Name | 5-hydroxy-2-(4-hydroxyphenyl)-7-methoxy-6-[(2S,3R,4R,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]chromen-4-one |
| Canonical SMILES | OC[C@H]1O[C@H]([C@@H]([C@H]([C@@H]1O)O)O)c1c(OC)cc2c(c1O)c(=O)cc(o2)c1ccc(cc1)O |
| Standard InCHI | InChI=1S/C22H22O10/c1-30-13-7-14-16(11(25)6-12(31-14)9-2-4-10(24)5-3-9)19(27)17(13)22-21(29)20(28)18(26)15(8-23)32-22/h2-7,15,18,20-24,26-29H,8H2,1H3/t15-,18-,20+,21-,22+/m1/s1 |
| Standard InCHIKey | ABRULANJVVJLFI-DGHBBABESA-N |
| External Identifiers | ChEMBL [CHEMBL486415]; PubChem [124034]; |
| Reference of Component-Ingredient Pair | 29031588 |
Occurrence of the ingredient across TCM components
Ingredient ID: TCMC3144
Formula: C17H17NO2
Ingredient ID: TCMC3144
| Common Name | Caaverine |
| IUPAC Name | (6aR)-2-methoxy-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinolin-1-ol |
| Canonical SMILES | COc1cc2CC[NH2+][C@H]3c2c(c1O)c1ccccc1C3 |
| Standard InCHI | InChI=1S/C17H17NO2/c1-20-14-9-11-6-7-18-13-8-10-4-2-3-5-12(10)16(15(11)13)17(14)19/h2-5,9,13,18-19H,6-8H2,1H3/p+1/t13-/m1/s1 |
| Standard InCHIKey | DUSFBAYEYGRYOT-CYBMUJFWSA-O |
| External Identifiers | ChEMBL [N/A]; PubChem [23335]; |
| Reference of Component-Ingredient Pair | 25953946 |
Occurrence of the ingredient across TCM components
Ingredient ID: TCMC2528
Formula: C18H13NO3
Ingredient ID: TCMC2528
| Common Name | Lysicamine |
| IUPAC Name | n.a. |
| Canonical SMILES | COc1c(OC)cc2c3c1c1ccccc1C(=O)c3ncc2 |
| Standard InCHI | InChI=1S/C18H13NO3/c1-21-13-9-10-7-8-19-16-14(10)15(18(13)22-2)11-5-3-4-6-12(11)17(16)20/h3-9H,1-2H3 |
| Standard InCHIKey | DPBMWJXWUINLQT-UHFFFAOYSA-N |
| External Identifiers | ChEMBL [CHEMBL510090]; PubChem [122691]; |
| Reference of Component-Ingredient Pair | 23445637 |
Occurrence of the ingredient across TCM components
| Component ID | Latin Name | Pinyin Name | Chinese Name |
|---|---|---|---|
| TCMH1275 | Nelumbo nucifera | Lian Zi | 莲子 |
| TCMH1276 | Nelumbo nucifera | Lian Zi Xin | 莲子心 |
| TCMH1285 | Orobanche coerulescens | Lie Dang | 列当 |
| TCMH1598 | Nelumbo nucifera | Ou | 藕 |
| TCMH1599 | Nelumbo nucifera | Ou Fen | 藕粉 |
| TCMH1601 | Nelumbo nucifera | Ou Pian | 藕片 |
| TCMH1662 | Pharbitis nil | Qian Niu Zi | 牵牛子 |
| TCMH2051 | Ziziphus jujuba var. spinosa | Suan Zao | 酸枣 |
| TCMH2052 | Ziziphus jujuba var. spinosa | Suan Zao Ren | 酸枣仁 |
| TCMH213 | Boschniakia rossica | Cao Cong Rong | 草苁蓉 |
Showing 1 to 10 of 22 entries
Ingredient ID: TCMC1830
Formula: C16H32O2
Ingredient ID: TCMC1830
| Common Name | Palmitic Acid |
| IUPAC Name | hexadecanoic acid |
| Canonical SMILES | CCCCCCCCCCCCCCCC(=O)O |
| Standard InCHI | InChI=1S/C16H32O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16(17)18/h2-15H2,1H3,(H,17,18) |
| Standard InCHIKey | IPCSVZSSVZVIGE-UHFFFAOYSA-N |
| External Identifiers | ChEMBL [CHEMBL82293]; PubChem [985]; |
| Reference of Component-Ingredient Pair | 29968805 |
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 |
| TCMH1022 | Celosia cristata | Ji Guan Hua | 鸡冠花 |
| TCMH1029 | Paederia scandens | Ji Shi Teng | 鸡矢藤 |
| 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 |
Showing 1 to 10 of 274 entries
Ingredient ID: TCMC1767
Formula: C18H19NO4
Ingredient ID: TCMC1767
| Common Name | N-Trans-Feruloyl Tyramine |
| IUPAC Name | (E)-3-(4-hydroxy-3-methoxyphenyl)-N-[2-(4-hydroxyphenyl)ethyl]prop-2-enamide |
| Canonical SMILES | COc1cc(/C=C/C(=NCCc2ccc(cc2)O)O)ccc1O |
| Standard InCHI | InChI=1S/C18H19NO4/c1-23-17-12-14(4-8-16(17)21)5-9-18(22)19-11-10-13-2-6-15(20)7-3-13/h2-9,12,20-21H,10-11H2,1H3,(H,19,22)/b9-5+ |
| Standard InCHIKey | NPNNKDMSXVRADT-WEVVVXLNSA-N |
| External Identifiers | ChEMBL [CHEMBL206555]; PubChem [5280537]; |
| Reference of Component-Ingredient Pair | 11509987 |
Occurrence of the ingredient across TCM components
| Component ID | Latin Name | Pinyin Name | Chinese Name |
|---|---|---|---|
| TCMH1005 | Cannabis sativa | Huo Ma Ren | 火麻仁 |
| TCMH1024 | Tribulus terrestris | Ji Li | 蒺藜 |
| TCMH1185 | Lycium chinense | Gou Qi | 枸杞 |
| TCMH1186 | Lycium chinense | Gou Qi Zi | 枸杞子 |
| TCMH1265 | Chenopodium album | Li | 藜 |
| TCMH1275 | Nelumbo nucifera | Lian Zi | 莲子 |
| TCMH1276 | Nelumbo nucifera | Lian Zi Xin | 莲子心 |
| TCMH1380 | Humulus japonicus | Lv Cao | 葎草 |
| TCMH1396 | Portulaca oleracea | Ma Chi Xian | 马齿苋 |
| TCMH1409 | Cannabis sativa | Ma Ren | 麻仁 |
Showing 1 to 10 of 41 entries
Ingredient ID: TCMC1611
Formula: C14H28O2
Ingredient ID: TCMC1611
| Common Name | Myristic Acid |
| IUPAC Name | tetradecanoic acid |
| Canonical SMILES | CCCCCCCCCCCCCC(=O)O |
| Standard InCHI | InChI=1S/C14H28O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14(15)16/h2-13H2,1H3,(H,15,16) |
| Standard InCHIKey | TUNFSRHWOTWDNC-UHFFFAOYSA-N |
| External Identifiers | ChEMBL [CHEMBL111077]; PubChem [11005]; |
| 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 |
| TCMH1029 | Paederia scandens | Ji Shi Teng | 鸡矢藤 |
| TCMH1063 | Curcuma longa | Jiang Huang | 姜黄 |
| TCMH1105 | Trollius chinensis | Jin Lian Hua | 金莲花 |
| TCMH1127 | Lonicera japonica | Jin Yin Hua | 金银花 |
| TCMH1128 | Lonicera japonica | Jin Yin Hua Ti Qu Ye | 金银花提取液 |
| TCMH114 | Platycladus orientalis | Bai Ye | 柏叶 |
| TCMH1142 | Schizonepetae spica | Jing Jie Sui | 荆芥穗 |
| TCMH1175 | Cornus officinalis | Jiu Yu Rou | 酒萸肉 |
| TCMH1178 | Citrus reticulata | Ju He | 橘核 |
Showing 1 to 10 of 123 entries
Properties
| Ingredient ID | Formulae | Name | MW | AlogP | MlogP | XlogP | # HBA | # HBD | PSA | # Rotatable Bond | # Ring | # Heacy Atom | Lipinski RO5 Violation |
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| TCMC1611 | C14H28O2 | Myristic Acid | 228.21 | -3.3217 | 2.78 | 6.432 | 2 | 1 | 37.3 | 14 | 0 | 16 | 2 |
| TCMC1767 | C18H19NO4 | N-Trans-Feruloyl Tyramine | 313.13 | -0.6499 | 2.89 | 3.109 | 2 | 3 | 82.28 | 10 | 2 | 23 | 0 |
| TCMC1830 | C16H32O2 | Palmitic Acid | 256.24 | -3.8977 | 3 | 7.57 | 2 | 1 | 37.3 | 16 | 0 | 18 | 2 |
| TCMC2528 | C18H13NO3 | Lysicamine | 291.09 | -0.3674 | 3 | 3.348 | 2 | 0 | 48.42 | 4 | 4 | 22 | 0 |
| TCMC3144 | C17H17NO2 | Caaverine | 268.1337538 | -1.6768 | 3 | 3.323 | 0 | 2 | 46.07 | 1 | 4 | 20 | 0 |
| TCMC3448 | C22H22O10 | Swertisin | 446.1212969 | -3.3447 | 2.78 | -0.43 | 6 | 6 | 156.91 | 4 | 4 | 32 | 1 |
| TCMC3484 | C28H32O15 | Zivulgarin | 608.1741203 | -5.0916 | 2.89 | -2.396 | 11 | 9 | 236.06 | 7 | 5 | 43 | 2 |
| TCMC3537 | C28H32O15 | Spinosin | 608.1741203 | -5.2662 | 2.89 | -1.943 | 14 | 9 | 236.06 | 7 | 5 | 43 | 2 |
| TCMC3595 | C30H46O5 | Ceanothic Acid | 484.3188745 | 0.835 | 4.21 | 6.928 | 5 | 1 | 100.49 | 3 | 5 | 35 | 1 |
| TCMC369 | C8H18O | 2-Ethylhexan-1-Ol | 130.14 | -1.2606 | 2.23 | 2.855 | 1 | 1 | 20.23 | 8 | 0 | 9 | 0 |
Showing 1 to 10 of 22 entries
Download Data
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