Description of the Component
Component ID |
TCMH2084 |
Latin Name |
Asparagus cochinchinensis |
English Name |
Cochinchinese asparagus root |
Chinese Pinyin Name |
Tian Dong |
中文名 |
天冬 |
TCM Properties |
Cold,Sweet,Bitter |
TCM Meridians |
Lung,Kidney |
Therapeutic Class English |
|
Therapeutic Class Chinese |
|
Functions |
replenish yin, promote fluid secretion and moisten the lung |
Toxicity |
NA |
Geo-authentic habitats (道地产区) |
Guizhou Province |
Reference |
Chinese Pharmacopoeia (2015) |
Barcode ID |
ITSAJ4142-14 |
Barcode Source |
BOLDSYSTEMS |
TCM Prescriptions with the Component
| Prescription ID | Prescription English Name | Prescription Chinese Name |
|---|---|---|
| TCMF1096 | Hu Po Hai Jing Pills | 琥珀还睛丸 |
| TCMF1422 | Tianwang Buxin Pills | 天王补心丸 |
| TCMF1447 | Bolus of Dendrobii for Poor Vision | 石斛夜光丸 |
| TCMF1814 | Bone-Marrow Containg Pills | 三才封髓丹 |
| TCMF2031 | Decoction of Asparagi and Ophiopogonis | 二冬汤 |
| TCMF2035 | Heche Dazao Pills | 河车大造丸 |
| TCMF2157 | Dazao Bolus | 大造丸 |
| TCMF2206 | Sweet Dew Decoction | 甘露饮 |
| TCMF227 | Qi Zhi Xiang Fu Pills | 七制香附丸 |
| TCMF2427 | Liver Controlling Wind Extinguishing Decoction | 镇肝熄风汤 |
Showing 1 to 10 of 129 entries
Targeted Human Proteins by the Ingredient of Component
| Target ID | Gene Symbol | Target Name | Target Class | Uniprot ID |
|---|---|---|---|---|
| TCMT150 | RORC | Nuclear receptor ROR-gamma | Nuclear receptor | P51449 |
| TCMT277 | SLCO1B3 | Solute carrier organic anion transporter family member 1B3 | Transporter | Q9NPD5 |
| TCMT41 | IDH1 | Isocitrate dehydrogenase [NADP] cytoplasmic | Oxidoreductase | O75874 |
Showing 1 to 3 of 3 entries
Targeted Pathogenic Microbes by the Ingredient of Component
| Target ID | Target Name |
|---|---|
| TCMT1104 | Sortase |
| TCMT1176 | Streptococcus pneumoniae |
| TCMT1218 | Staphylococcus aureus |
| TCMT1243 | Aspergillus flavus |
| TCMT1246 | Escherichia coli |
| TCMT1251 | Candida albicans |
| TCMT1438 | Plasmodium falciparum |
| TCMT1454 | Bacillus subtilis |
| TCMT1458 | Filobasidiella neoformans |
Showing 1 to 9 of 9 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: TCMC6514
Formula: C51H82O21
Ingredient ID: TCMC6514
| Common Name | Pseudoprotodioscin |
| IUPAC Name | (2S,3R,4R,5R,6S)-2-[(2R,3S,4S,5R,6R)-4-hydroxy-2-(hydroxymethyl)-5-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxy-6-[[(1S,2S,4S,8S,9S,12S,13R,16S)-7,9,13-trimethyl-6-[(3R)-3-methyl-4-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxybutyl]-5-oxapentacyclo[10.8.0.02,9.04,8.013,18]icosa-6,18-dien-16-yl]oxy]oxan-3-yl]oxy-6-methyloxane-3,4,5-triol |
| Canonical SMILES | OC[C@H]1O[C@@H](O[C@H]2CC[C@]3(C(=CC[C@@H]4[C@@H]3CC[C@]3([C@H]4C[C@H]4[C@@H]3C(=C(O4)CC[C@H](CO[C@@H]3O[C@H](CO)[C@H]([C@@H]([C@H]3O)O)O)C)C)C)C2)C)[C@@H]([C@H]([C@@H]1O[C@@H]1O[C@@H](C)[C@@H]([C@H]([C@H]1O)O)O)O)O[C@@H]1O[C@@H](C)[C@@H]([C@H]([C@H]1O)O)O |
| Standard InCHI | InChI=1S/C51H82O21/c1-20(19-64-46-40(60)39(59)36(56)31(17-52)69-46)7-10-29-21(2)33-30(68-29)16-28-26-9-8-24-15-25(11-13-50(24,5)27(26)12-14-51(28,33)6)67-49-45(72-48-42(62)38(58)35(55)23(4)66-48)43(63)44(32(18-53)70-49)71-47-41(61)37(57)34(54)22(3)65-47/h8,20,22-23,25-28,30-49,52-63H,7,9-19H2,1-6H3/t20-,22+,23+,25+,26-,27+,28+,30+,31-,32-,33+,34+,35+,36-,37-,38-,39+,40-,41-,42-,43+,44-,45-,46-,47+,48+,49-,50+,51+/m1/s1 |
| Standard InCHIKey | MDCUMTGKKLOMCW-XNVNDPJESA-N |
| External Identifiers | ChEMBL [N/A]; PubChem [21637110]; |
| Reference of Component-Ingredient Pair | 25698242 |
Occurrence of the ingredient across TCM components
Ingredient ID: TCMC628
Formula: C3H5NO
Ingredient ID: TCMC628
| Common Name | Acrylamide |
| IUPAC Name | prop-2-enamide |
| Canonical SMILES | OC(=N)C=C |
| Standard InCHI | InChI=1S/C3H5NO/c1-2-3(4)5/h2H,1H2,(H2,4,5) |
| Standard InCHIKey | HRPVXLWXLXDGHG-UHFFFAOYSA-N |
| External Identifiers | ChEMBL [CHEMBL348107]; PubChem [6579]; |
| Reference of Component-Ingredient Pair | N/A |
Occurrence of the ingredient across TCM components
Ingredient ID: TCMC5654
Formula: C52H86O22
Ingredient ID: TCMC5654
| Common Name | Methylprotodioscin |
| IUPAC Name | (2S,3R,4R,5R,6S)-2-[(2R,3S,4S,5R,6R)-4-hydroxy-2-(hydroxymethyl)-6-[[(1S,2S,4S,6R,7S,8R,9S,12S,13R,16S)-6-methoxy-7,9,13-trimethyl-6-[(3R)-3-methyl-4-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxybutyl]-5-oxapentacyclo[10.8.0.02,9.04,8.013,18]icos-18-en-16-yl]oxy]-5-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-3-yl]oxy-6-methyloxane-3,4,5-triol |
| Canonical SMILES | OC[C@H]1O[C@@H](O[C@H]2CC[C@]3(C(=CC[C@@H]4[C@@H]3CC[C@]3([C@H]4C[C@H]4[C@@H]3[C@H](C)[C@@](O4)(OC)CC[C@H](CO[C@@H]3O[C@H](CO)[C@H]([C@@H]([C@H]3O)O)O)C)C)C2)C)[C@@H]([C@H]([C@@H]1O[C@@H]1O[C@@H](C)[C@@H]([C@H]([C@H]1O)O)O)O)O[C@@H]1O[C@@H](C)[C@@H]([C@H]([C@H]1O)O)O |
| Standard InCHI | InChI=1S/C52H86O22/c1-21(20-66-46-40(61)39(60)36(57)31(18-53)70-46)10-15-52(65-7)22(2)33-30(74-52)17-29-27-9-8-25-16-26(11-13-50(25,5)28(27)12-14-51(29,33)6)69-49-45(73-48-42(63)38(59)35(56)24(4)68-48)43(64)44(32(19-54)71-49)72-47-41(62)37(58)34(55)23(3)67-47/h8,21-24,26-49,53-64H,9-20H2,1-7H3/t21-,22+,23+,24+,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-/m1/s1 |
| Standard InCHIKey | HSSJYSJXBOCKQM-GVTGEURHSA-N |
| External Identifiers | ChEMBL [CHEMBL453625]; PubChem [11263254]; |
| Reference of Component-Ingredient Pair | 28301149 |
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: TCMC3779
Formula: C17H14O3
Ingredient ID: TCMC3779
| Common Name | 7-Methoxy-2-Methyl Isoflavone |
| IUPAC Name | 7-methoxy-2-methyl-3-phenylchromen-4-one |
| Canonical SMILES | COc1ccc2c(c1)oc(c(c2=O)c1ccccc1)C |
| Standard InCHI | InChI=1S/C17H14O3/c1-11-16(12-6-4-3-5-7-12)17(18)14-9-8-13(19-2)10-15(14)20-11/h3-10H,1-2H3 |
| Standard InCHIKey | XRGWZIGGCNSFRY-UHFFFAOYSA-N |
| External Identifiers | ChEMBL [CHEMBL1322285]; PubChem [354368]; |
| Reference of Component-Ingredient Pair | N/A |
Occurrence of the ingredient across TCM components
Ingredient ID: TCMC3399
Formula: C6H12O6
Ingredient ID: TCMC3399
| Common Name | D-Glucose,Glucose |
| IUPAC Name | (2R,3S,4R,5R)-2,3,4,5,6-pentahydroxyhexanal |
| Canonical SMILES | OC[C@H]([C@H]([C@@H]([C@H](C=O)O)O)O)O |
| Standard InCHI | InChI=1S/C6H12O6/c7-1-3(9)5(11)6(12)4(10)2-8/h1,3-6,8-12H,2H2/t3-,4+,5+,6+/m0/s1 |
| Standard InCHIKey | GZCGUPFRVQAUEE-SLPGGIOYSA-N |
| External Identifiers | ChEMBL [N/A]; PubChem [107526]; |
| Reference of Component-Ingredient Pair | 18071748 |
Occurrence of the ingredient across TCM components
| Component ID | Latin Name | Pinyin Name | Chinese Name |
|---|---|---|---|
| TCMH1329 | Arillus longan | Long Yan Rou | 龙眼肉 |
| TCMH2084 | Asparagus cochinchinensis | Tian Dong | 天冬 |
| TCMH2102 | Concretio silicea bambusae | Tian Zhu Huang | 天竺黄 |
| TCMH2128 | Rhizoma bolbostemmae | Tu Bei Mu | 土贝母 |
| TCMH451 | Rehmannia glutinosa | Di Huang | 地黄 |
Showing 1 to 5 of 5 entries
Ingredient ID: TCMC3316
Formula: C27H44O3
Ingredient ID: TCMC3316
| Common Name | Sarsasapogenin |
| IUPAC Name | (1R,2S,4S,5'S,6R,7S,8R,9S,12S,13S,16S,18R)-5',7,9,13-tetramethylspiro[5-oxapentacyclo[10.8.0.02,9.04,8.013,18]icosane-6,2'-oxane]-16-ol |
| Canonical SMILES | C[C@H]1CC[C@@]2(OC1)O[C@@H]1[C@H]([C@@H]2C)[C@@]2([C@@H](C1)[C@@H]1CC[C@H]3[C@]([C@H]1CC2)(C)CC[C@@H](C3)O)C |
| Standard InCHI | InChI=1S/C27H44O3/c1-16-7-12-27(29-15-16)17(2)24-23(30-27)14-22-20-6-5-18-13-19(28)8-10-25(18,3)21(20)9-11-26(22,24)4/h16-24,28H,5-15H2,1-4H3/t16-,17-,18+,19-,20+,21-,22-,23-,24-,25-,26-,27+/m0/s1 |
| Standard InCHIKey | GMBQZIIUCVWOCD-WWASVFFGSA-N |
| External Identifiers | ChEMBL [CHEMBL1171146]; PubChem [92095]; |
| Reference of Component-Ingredient Pair | 22368413 |
Occurrence of the ingredient across TCM components
Ingredient ID: TCMC3309
Formula: C27H44O3
Ingredient ID: TCMC3309
| Common Name | Smilagenin |
| IUPAC Name | (1R,2S,4S,5'R,6R,7S,8R,9S,12S,13S,16S,18R)-5',7,9,13-tetramethylspiro[5-oxapentacyclo[10.8.0.02,9.04,8.013,18]icosane-6,2'-oxane]-16-ol |
| Canonical SMILES | C[C@@H]1CC[C@@]2(OC1)O[C@@H]1[C@H]([C@@H]2C)[C@@]2([C@@H](C1)[C@@H]1CC[C@H]3[C@]([C@H]1CC2)(C)CC[C@@H](C3)O)C |
| Standard InCHI | InChI=1S/C27H44O3/c1-16-7-12-27(29-15-16)17(2)24-23(30-27)14-22-20-6-5-18-13-19(28)8-10-25(18,3)21(20)9-11-26(22,24)4/h16-24,28H,5-15H2,1-4H3/t16-,17+,18-,19+,20-,21+,22+,23+,24+,25+,26+,27-/m1/s1 |
| Standard InCHIKey | GMBQZIIUCVWOCD-UQHLGXRBSA-N |
| External Identifiers | ChEMBL [N/A]; PubChem [91439]; |
| Reference of Component-Ingredient Pair | 16732531 |
Occurrence of the ingredient across TCM components
Ingredient ID: TCMC3259
Formula: C7H8O3
Ingredient ID: TCMC3259
| Common Name | 5-Methoxymethyl Furfural |
| IUPAC Name | 5-(methoxymethyl)furan-2-carbaldehyde |
| Canonical SMILES | COCc1ccc(o1)C=O |
| Standard InCHI | InChI=1S/C7H8O3/c1-9-5-7-3-2-6(4-8)10-7/h2-4H,5H2,1H3 |
| Standard InCHIKey | ASHVULSQMDWKFO-UHFFFAOYSA-N |
| External Identifiers | ChEMBL [N/A]; PubChem [74711]; |
| Reference of Component-Ingredient Pair | N/A |
Occurrence of the ingredient across TCM components
Ingredient ID: TCMC3129
Formula: C6H12O5
Ingredient ID: TCMC3129
| Common Name | Rhamnose |
| IUPAC Name | (2R,3R,4S,5S)-2,3,4,5-tetrahydroxyhexanal |
| Canonical SMILES | O=C[C@@H]([C@@H]([C@H]([C@@H](O)C)O)O)O |
| Standard InCHI | InChI=1S/C6H12O5/c1-3(8)5(10)6(11)4(9)2-7/h2-6,8-11H,1H3/t3-,4-,5-,6-/m0/s1 |
| Standard InCHIKey | PNNNRSAQSRJVSB-BXKVDMCESA-N |
| External Identifiers | ChEMBL [N/A]; PubChem [19233]; |
| Reference of Component-Ingredient Pair | 7509318 |
Occurrence of the ingredient across TCM components
Ingredient ID: TCMC2895
Formula: C4H8N2O3
Ingredient ID: TCMC2895
| Common Name | Asparagine |
| IUPAC Name | (2S)-2,4-diamino-4-oxobutanoic acid |
| Canonical SMILES | NC(=O)C[C@@H](C(=O)[O-])[NH3+] |
| Standard InCHI | InChI=1S/C4H8N2O3/c5-2(4(8)9)1-3(6)7/h2H,1,5H2,(H2,6,7)(H,8,9)/t2-/m0/s1 |
| Standard InCHIKey | DCXYFEDJOCDNAF-REOHCLBHSA-N |
| External Identifiers | ChEMBL [CHEMBL58832]; PubChem [6267]; |
| Reference of Component-Ingredient Pair | 29968805 |
Occurrence of the ingredient across TCM components
Ingredient ID: TCMC2886
Formula: C12H22O11
Ingredient ID: TCMC2886
| Common Name | Sucrose |
| IUPAC Name | (2R,3R,4S,5S,6R)-2-[(2S,3S,4S,5R)-3,4-dihydroxy-2,5-bis(hydroxymethyl)oxolan-2-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol |
| Canonical SMILES | OC[C@H]1O[C@@]([C@H]([C@@H]1O)O)(CO)O[C@H]1O[C@H](CO)[C@H]([C@@H]([C@H]1O)O)O |
| Standard InCHI | InChI=1S/C12H22O11/c13-1-4-6(16)8(18)9(19)11(21-4)23-12(3-15)10(20)7(17)5(2-14)22-12/h4-11,13-20H,1-3H2/t4-,5-,6-,7-,8+,9-,10+,11-,12+/m1/s1 |
| Standard InCHIKey | CZMRCDWAGMRECN-UGDNZRGBSA-N |
| External Identifiers | ChEMBL [CHEMBL253582]; PubChem [5988]; |
| Reference of Component-Ingredient Pair | 29968805 |
Occurrence of the ingredient across TCM components
| Component ID | Latin Name | Pinyin Name | Chinese Name |
|---|---|---|---|
| TCMH127 | Isatis indigotica | Ban Lan Gen | 板蓝根 |
| TCMH1329 | Arillus longan | Long Yan Rou | 龙眼肉 |
| TCMH1343 | Aloe vera | Lu Hui | 芦荟 |
| TCMH1396 | Portulaca oleracea | Ma Chi Xian | 马齿苋 |
| TCMH1665 | Notopterygium incisum | Qiang Huo | 羌活 |
| TCMH1721 | Panax ginseng | Ren Shen | 人参 |
| TCMH1798 | Morus alba | Sang Zhi | 桑枝 |
| TCMH182 | Areca catechu | Bing Lang | 槟榔 |
| TCMH1848 | Crataegus pinnatifida | Shan Zha | 山楂 |
| TCMH1862 | Cornus officinalis | Shan Zhu Yu | 山茱萸 |
Showing 1 to 10 of 29 entries
Ingredient ID: TCMC2885
Formula: C6H12O6
Ingredient ID: TCMC2885
| Common Name | Fructose |
| IUPAC Name | (3S,4R,5R)-1,3,4,5,6-pentahydroxyhexan-2-one |
| Canonical SMILES | OC[C@H]([C@H]([C@@H](C(=O)CO)O)O)O |
| Standard InCHI | InChI=1S/C6H12O6/c7-1-3(9)5(11)6(12)4(10)2-8/h3,5-9,11-12H,1-2H2/t3-,5-,6-/m1/s1 |
| Standard InCHIKey | BJHIKXHVCXFQLS-UYFOZJQFSA-N |
| External Identifiers | ChEMBL [N/A]; PubChem [5984]; |
| Reference of Component-Ingredient Pair | 29968805 |
Occurrence of the ingredient across TCM components
| Component ID | Latin Name | Pinyin Name | Chinese Name |
|---|---|---|---|
| TCMH120 | Atractylodes macrocephala | Bai Zhu | 白术 |
| TCMH1845 | Dioscorea batatas | Shan Yao | 山药 |
| TCMH1862 | Cornus officinalis | Shan Zhu Yu | 山茱萸 |
| TCMH2084 | Asparagus cochinchinensis | Tian Dong | 天冬 |
| TCMH388 | Ziziphus jujuba | Da Zao | 大枣 |
| TCMH451 | Rehmannia glutinosa | Di Huang | 地黄 |
| TCMH90 | Imperata cylindrica | Bai Mao Gen | 白茅根 |
Showing 1 to 7 of 7 entries
Ingredient ID: TCMC2600
Formula: C39H64O13
Ingredient ID: TCMC2600
| Common Name | n.a. |
| IUPAC Name | n.a. |
| Canonical SMILES | OC[C@H]1O[C@@H](O[C@H]2CC[C@]3([C@@H](C2)CC[C@@H]2[C@@H]3CC[C@]3([C@H]2C[C@H]2[C@@H]3[C@H](C)[C@]3(O2)CC[C@@H](CO3)C)C)C)[C@@H]([C@H]([C@@H]1O)O)O[C@@H]1O[C@H](CO)[C@H]([C@@H]([C@H]1O)O)O |
| Standard InCHI | InChI=1S/C39H64O13/c1-18-7-12-39(47-17-18)19(2)28-25(52-39)14-24-22-6-5-20-13-21(8-10-37(20,3)23(22)9-11-38(24,28)4)48-36-34(32(45)30(43)27(16-41)50-36)51-35-33(46)31(44)29(42)26(15-40)49-35/h18-36,40-46H,5-17H2,1-4H3/t18-,19-,20+,21-,22+,23-,24-,25-,26+,27+,28-,29+,30+,31-,32-,33+,34+,35-,36+,37-,38-,39+/m0/s1 |
| Standard InCHIKey | MMTWXUQMLQGAPC-XIBAMJMMSA-N |
| External Identifiers | ChEMBL [CHEMBL508990]; PubChem [21575007]; |
| Reference of Component-Ingredient Pair | N/A |
Occurrence of the ingredient across TCM components
Ingredient ID: TCMC2548
Formula: C17H16O2
Ingredient ID: TCMC2548
| Common Name | (-)-Hinokiresinol |
| IUPAC Name | 4-[(1E,3S)-3-(4-hydroxyphenyl)penta-1,4-dienyl]phenol |
| Canonical SMILES | C=C[C@H](c1ccc(cc1)O)/C=C/c1ccc(cc1)O |
| Standard InCHI | InChI=1S/C17H16O2/c1-2-14(15-7-11-17(19)12-8-15)6-3-13-4-9-16(18)10-5-13/h2-12,14,18-19H,1H2/b6-3+/t14-/m0/s1 |
| Standard InCHIKey | VEAUNWQYYMXIRB-ZRFDWSJLSA-N |
| External Identifiers | ChEMBL [CHEMBL371547]; PubChem [12310493]; |
| Reference of Component-Ingredient Pair | N/A |
Occurrence of the ingredient across TCM components
| Component ID | Latin Name | Pinyin Name | Chinese Name |
|---|---|---|---|
| TCMH1759 | Asparagus cochinchinensis | San Bai Bang | 三百棒 |
| TCMH2084 | Asparagus cochinchinensis | Tian Dong | 天冬 |
| TCMH2092 | Asparagus cochinchinensis | Tian Men Dong | 天门冬 |
| TCMH2267 | Periploca sepium | Xiang Jia Pi | 香加皮 |
| TCMH2624 | Anemarrhena asphodeloides | Zhi Mu | 知母 |
Showing 1 to 5 of 5 entries
Ingredient ID: TCMC2415
Formula: C17H16O2
Ingredient ID: TCMC2415
| Common Name | (+)-Hinokiresinol |
| IUPAC Name | 4-[(1E,3R)-3-(4-hydroxyphenyl)penta-1,4-dienyl]phenol |
| Canonical SMILES | C=C[C@@H](c1ccc(cc1)O)/C=C/c1ccc(cc1)O |
| Standard InCHI | InChI=1S/C17H16O2/c1-2-14(15-7-11-17(19)12-8-15)6-3-13-4-9-16(18)10-5-13/h2-12,14,18-19H,1H2/b6-3+/t14-/m1/s1 |
| Standard InCHIKey | VEAUNWQYYMXIRB-BOTMBNHJSA-N |
| External Identifiers | ChEMBL [CHEMBL199799]; PubChem [6438674]; |
| Reference of Component-Ingredient Pair | N/A |
Occurrence of the ingredient across TCM components
Ingredient ID: TCMC2332
Formula: C17H16O2
Ingredient ID: TCMC2332
| Common Name | Rac-Hinokiresinol |
| IUPAC Name | 4-[(1E)-3-(4-hydroxyphenyl)penta-1,4-dienyl]phenol |
| Canonical SMILES | C=CC(c1ccc(cc1)O)/C=C/c1ccc(cc1)O |
| Standard InCHI | InChI=1S/C17H16O2/c1-2-14(15-7-11-17(19)12-8-15)6-3-13-4-9-16(18)10-5-13/h2-12,14,18-19H,1H2/b6-3+ |
| Standard InCHIKey | VEAUNWQYYMXIRB-ZZXKWVIFSA-N |
| External Identifiers | ChEMBL [CHEMBL198245]; PubChem [5377291]; |
| Reference of Component-Ingredient Pair | N/A |
Occurrence of the ingredient across TCM components
Ingredient ID: TCMC1063
Formula: C45H72O16
Ingredient ID: TCMC1063
| Common Name | Dioscin |
| IUPAC Name | n.a. |
| Canonical SMILES | OC[C@H]1O[C@@H](O[C@H]2CC[C@]3(C(=CC[C@@H]4[C@@H]3CC[C@]3([C@H]4C[C@H]4[C@@H]3[C@H](C)[C@]3(O4)CC[C@H](CO3)C)C)C2)C)[C@@H]([C@H]([C@@H]1O[C@@H]1O[C@@H](C)[C@@H]([C@H]([C@H]1O)O)O)O)O[C@@H]1O[C@@H](C)[C@@H]([C@H]([C@H]1O)O)O |
| Standard InCHI | InChI=1S/C45H72O16/c1-19-9-14-45(54-18-19)20(2)30-28(61-45)16-27-25-8-7-23-15-24(10-12-43(23,5)26(25)11-13-44(27,30)6)57-42-39(60-41-36(52)34(50)32(48)22(4)56-41)37(53)38(29(17-46)58-42)59-40-35(51)33(49)31(47)21(3)55-40/h7,19-22,24-42,46-53H,8-18H2,1-6H3/t19-,20+,21+,22+,24+,25-,26+,27+,28+,29-,30+,31+,32+,33-,34-,35-,36-,37+,38-,39-,40+,41+,42-,43+,44+,45-/m1/s1 |
| Standard InCHIKey | VNONINPVFQTJOC-ZGXDEBHDSA-N |
| External Identifiers | ChEMBL [CHEMBL507001]; PubChem [119245]; |
| Reference of Component-Ingredient Pair | 29389802 |
Occurrence of the ingredient across TCM components
| Component ID | Latin Name | Pinyin Name | Chinese Name |
|---|---|---|---|
| TCMH1537 | Baphicacanthus cusia | Nan Ban Lan Gen | 南板蓝根 |
| TCMH1538 | Baphicacanthus cusia | Nan Ban Lan Gen Jin Gao Fen | 南板蓝根浸膏粉 |
| TCMH1759 | Asparagus cochinchinensis | San Bai Bang | 三百棒 |
| TCMH2084 | Asparagus cochinchinensis | Tian Dong | 天冬 |
| TCMH2092 | Asparagus cochinchinensis | Tian Men Dong | 天门冬 |
| TCMH2134 | Smilax glabra | Tu Fu Ling | 土茯苓 |
| TCMH2375 | Trigonella foenum-graecum | Yan Hu Lu Ba | 盐胡芦巴 |
| TCMH2646 | Rhizoma paridis | Chong Lou | 重楼 |
| TCMH276 | Dioscorea septemloba | Chuan Bi Xie | 川萆薢 |
| TCMH285 | Dioscorea nipponica | Chuan Long Shu Yu | 穿龙薯蓣 |
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 |
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| TCMC1063 | C45H72O16 | Dioscin | 868.48 | -3.9636 | 4.65 | 2.836 | 16 | 8 | 235.68 | 21 | 9 | 61 | 2 |
| TCMC2332 | C17H16O2 | Rac-Hinokiresinol | 252.12 | 0.1238 | 3.11 | 5.63 | 0 | 2 | 40.46 | 6 | 2 | 19 | 1 |
| TCMC2415 | C17H16O2 | (+)-Hinokiresinol | 252.12 | 0.1238 | 3.11 | 5.63 | 0 | 2 | 40.46 | 6 | 2 | 19 | 1 |
| TCMC2548 | C17H16O2 | (-)-Hinokiresinol | 252.12 | 0.1238 | 3.11 | 5.63 | 0 | 2 | 40.46 | 6 | 2 | 19 | 1 |
| TCMC2600 | C39H64O13 | 740.43 | -3.153 | 4.32 | 4.661 | 13 | 7 | 196.99 | 17 | 8 | 52 | 2 | |
| TCMC2885 | C6H12O6 | Fructose | 180.0633881 | -3.0134 | 1.46 | -3.839 | 6 | 5 | 118.22 | 5 | 0 | 12 | 0 |
| TCMC2886 | C12H22O11 | Sucrose | 342.1162115 | -4.3105 | 1.57 | -3.277 | 11 | 8 | 189.53 | 5 | 2 | 23 | 2 |
| TCMC2895 | C4H8N2O3 | Asparagine | 132.0534921 | -3.1186 | 1.35 | -2.216 | 4 | 2 | 110.86 | 3 | 0 | 9 | 0 |
| TCMC3129 | C6H12O5 | Rhamnose | 164.0684735 | -2.2906 | 1.57 | -2.193 | 5 | 4 | 97.99 | 4 | 0 | 11 | 0 |
| TCMC3259 | C7H8O3 | 5-Methoxymethyl Furfural | 140.0473441 | -0.3867 | 1.9 | 0.941 | 2 | 0 | 39.44 | 3 | 1 | 10 | 0 |
Showing 1 to 10 of 19 entries
Download Data
All data can be downloaded by:→ Selecting data type in the below download table
→ Then click the download button.
