Description of the Component
Component ID |
TCMH1423 |
Latin Name |
Ophiopogon japonicus |
English Name |
Liriope |
Chinese Pinyin Name |
Mai Dong |
中文名 |
麦冬 |
TCM Properties |
Minor cold,Minor Cool,Sweet |
TCM Meridians |
Lung,Stomach,Heart |
Therapeutic Class English |
For tonifying weakness |
Therapeutic Class Chinese |
补虚 |
Functions |
nourish yin and promote the production of body fluid, moisten the lung, and ease the mind |
Toxicity |
NA |
Geo-authentic habitats (道地产区) |
Zhejiang Province |
Reference |
Chinese Pharmacopoeia (2015) |
Barcode ID |
ITSAJ4140-14 |
Barcode Source |
BOLDSYSTEMS |
TCM Prescriptions with the Component
| Prescription ID | Prescription English Name | Prescription Chinese Name |
|---|---|---|
| TCMF100 | Niu Huang Qing Gong Pills | 牛黄清宫丸 |
| TCMF1017 | Yi Fei Qing Hua Ointment | 益肺清化膏 |
| TCMF104 | Yu Quan Capsule | 玉泉胶囊 |
| TCMF1069 | Kang Er Xin Capsule | 康尔心胶囊 |
| TCMF1082 | Qing Huo Zhi Mai Tablet | 清火栀麦片 |
| TCMF1087 | Qing Re Jie Du Tablet | 清热解毒片 |
| TCMF1089 | Qing Ge Pills | 清膈丸 |
| TCMF1096 | Hu Po Hai Jing Pills | 琥珀还睛丸 |
| TCMF110 | Bai He Gu Jin Granules | 百合固金颗粒 |
| TCMF111 | Yi Xin Shu Pills | 益心舒丸 |
Showing 1 to 10 of 529 entries
Targeted Human Proteins by the Ingredient of Component
| Target ID | Gene Symbol | Target Name | Target Class | Uniprot ID |
|---|---|---|---|---|
| TCMT1 | EHMT2 | Histone-lysine N-methyltransferase, H3 lysine-9 specific 3 | Transferase | Q96KQ7 |
| TCMT101 | PTPN1 | Protein-tyrosine phosphatase 1B | Hydrolase | P18031 |
| TCMT102 | ACP1 | Low molecular weight phosphotyrosine protein phosphatase | Hydrolase | P24666 |
| TCMT103 | PTPRF | Receptor-type tyrosine-protein phosphatase F (LAR) | Hydrolase | P10586 |
| TCMT112 | ADORA3 | Adenosine A3 receptor | GPCR | P0DMS8 |
| TCMT130 | ALOX5 | Arachidonate 5-lipoxygenase | Oxidoreductase | P09917 |
| TCMT150 | RORC | Nuclear receptor ROR-gamma | Nuclear receptor | P51449 |
| TCMT159 | TYR | Tyrosinase | Oxidoreductase | P14679 |
| TCMT171 | PTPN6 | Protein-tyrosine phosphatase 1C | Hydrolase | P29350 |
| TCMT190 | PTPN2 | T-cell protein-tyrosine phosphatase | Hydrolase | P17706 |
Showing 1 to 10 of 37 entries
Targeted Pathogenic Microbes by the Ingredient of Component
| Target ID | Target Name |
|---|---|
| TCMT1104 | Sortase |
| TCMT1107 | Protease |
| TCMT1176 | Streptococcus pneumoniae |
| TCMT1178 | Actinomyces viscosus |
| TCMT1218 | Staphylococcus aureus |
| TCMT1229 | Enterococcus faecalis |
| TCMT1246 | Escherichia coli |
| TCMT1248 | Hepatitis C virus |
| TCMT1251 | Candida albicans |
| TCMT1255 | Human immunodeficiency virus 1 |
Showing 1 to 10 of 14 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: TCMC92
Formula: C4H7NO5
Ingredient ID: TCMC92
| Common Name | (2S,3S)-2-Amino-3-Hydroxybutanedioic Acid |
| IUPAC Name | (2S,3S)-2-amino-3-hydroxybutanedioic acid |
| Canonical SMILES | OC(=O)[C@H]([C@@H](C(=O)O)N)O |
| Standard InCHI | InChI=1S/C4H7NO5/c5-1(3(7)8)2(6)4(9)10/h1-2,6H,5H2,(H,7,8)(H,9,10)/t1-,2-/m0/s1 |
| Standard InCHIKey | YYLQUHNPNCGKJQ-LWMBPPNESA-N |
| External Identifiers | ChEMBL [CHEMBL1231330]; PubChem [443239]; |
| Reference of Component-Ingredient Pair | N/A |
Occurrence of the ingredient across TCM components
Ingredient ID: TCMC774
Formula: C7H8O
Ingredient ID: TCMC774
| Common Name | Benzyl Alcohol |
| IUPAC Name | phenylmethanol |
| Canonical SMILES | OCc1ccccc1 |
| Standard InCHI | InChI=1S/C7H8O/c8-6-7-4-2-1-3-5-7/h1-5,8H,6H2 |
| Standard InCHIKey | WVDDGKGOMKODPV-UHFFFAOYSA-N |
| External Identifiers | ChEMBL [CHEMBL720]; PubChem [244]; |
| Reference of Component-Ingredient Pair | 22999809 |
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 |
| TCMH1126 | Craibiodendron yunnanese | Jin Ye Zi | 金叶子 |
| TCMH1127 | Lonicera japonica | Jin Yin Hua | 金银花 |
| TCMH1128 | Lonicera japonica | Jin Yin Hua Ti Qu Ye | 金银花提取液 |
| TCMH1178 | Citrus reticulata | Ju He | 橘核 |
| TCMH1184 | Citrus reticulata | Ju Pi | 橘皮 |
| TCMH12 | Artemisia argyi | Ai Ye | 艾叶 |
| TCMH1264 | Litchi chinensis | Li Zhi He | 荔枝核 |
| TCMH13 | Artemisia argyi | Ai Ye You | 艾叶油 |
Showing 1 to 10 of 51 entries
Ingredient ID: TCMC7261
Formula: C44H70O18
Ingredient ID: TCMC7261
| Common Name | Ophiopogon A |
| IUPAC Name | (2S,3R,4R,5R,6S)-2-[(2R,3R,4S,5R,6R)-2-[(1R,2R,4S,5'R,6R,7S,8S,9S,12S,13R,16S)-2,8-dihydroxy-5',7,9,13-tetramethylspiro[5-oxapentacyclo[10.8.0.02,9.04,8.013,18]icos-18-ene-6,2'-oxane]-16-yl]oxy-5-hydroxy-6-(hydroxymethyl)-4-[(2S,3R,4S,5R)-3,4,5-trihydroxyoxan-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@@]4(O)C[C@H]4[C@]3(O)[C@H](C)[C@]3(O4)CC[C@H](CO3)C)C)C2)C)[C@@H]([C@H]([C@@H]1O)O[C@@H]1OC[C@H]([C@@H]([C@H]1O)O)O)O[C@@H]1O[C@@H](C)[C@@H]([C@H]([C@H]1O)O)O |
| Standard InCHI | InChI=1S/C44H70O18/c1-19-8-13-43(56-17-19)21(3)44(54)28(62-43)15-42(53)25-7-6-22-14-23(9-11-40(22,4)24(25)10-12-41(42,44)5)58-39-36(61-38-34(52)32(50)29(47)20(2)57-38)35(31(49)27(16-45)59-39)60-37-33(51)30(48)26(46)18-55-37/h6,19-21,23-39,45-54H,7-18H2,1-5H3/t19-,20+,21-,23+,24+,25-,26-,27-,28+,29+,30+,31-,32-,33-,34-,35+,36-,37+,38+,39-,40+,41+,42-,43-,44-/m1/s1 |
| Standard InCHIKey | XEMVQWDHRXAQNR-YVEJFGEMSA-N |
| External Identifiers | ChEMBL [N/A]; PubChem [102004869]; |
| Reference of Component-Ingredient Pair | N/A |
Occurrence of the ingredient across TCM components
Ingredient ID: TCMC7251
Formula: C27H42O7S
Ingredient ID: TCMC7251
| Common Name | Ruscogenin 1-O-Sulfate |
| IUPAC Name | [(1S,2S,4S,5'S,6R,7S,8R,9S,12S,13R,14R,16R)-16-hydroxy-5',7,9,13-tetramethylspiro[5-oxapentacyclo[10.8.0.02,9.04,8.013,18]icos-18-ene-6,2'-oxane]-14-yl] hydrogen sulfate |
| 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=C3[C@]([C@H]1CC2)(C)[C@@H](C[C@@H](C3)O)OS(=O)(=O)[O-])C |
| Standard InCHI | InChI=1S/C27H42O7S/c1-15-7-10-27(32-14-15)16(2)24-22(33-27)13-21-19-6-5-17-11-18(28)12-23(34-35(29,30)31)26(17,4)20(19)8-9-25(21,24)3/h5,15-16,18-24,28H,6-14H2,1-4H3,(H,29,30,31)/p-1/t15-,16-,18+,19+,20-,21-,22-,23+,24-,25-,26-,27+/m0/s1 |
| Standard InCHIKey | YUFMVMIWSNVZCH-JZAGGSFNSA-M |
| External Identifiers | ChEMBL [N/A]; PubChem [101995302]; |
| Reference of Component-Ingredient Pair | N/A |
Occurrence of the ingredient across TCM components
Ingredient ID: TCMC7086
Formula: C19H16O7
Ingredient ID: TCMC7086
| Common Name | 2'-Hydroxymethylophiopogonone A |
| IUPAC Name | 5,7-dihydroxy-3-[(4-hydroxy-1,3-benzodioxol-5-yl)methyl]-6,8-dimethylchromen-4-one |
| Canonical SMILES | Oc1c(ccc2c1OCO2)Cc1coc2c(c1=O)c(O)c(c(c2C)O)C |
| Standard InCHI | InChI=1S/C19H16O7/c1-8-14(20)9(2)18-13(15(8)21)16(22)11(6-24-18)5-10-3-4-12-19(17(10)23)26-7-25-12/h3-4,6,20-21,23H,5,7H2,1-2H3 |
| Standard InCHIKey | ILSFEHDRJCUFAT-UHFFFAOYSA-N |
| External Identifiers | ChEMBL [N/A]; PubChem [101238141]; |
| Reference of Component-Ingredient Pair | N/A |
Occurrence of the ingredient across TCM components
Ingredient ID: TCMC6997
Formula: C18H16O6
Ingredient ID: TCMC6997
| Common Name | Ophiopogonanone A |
| IUPAC Name | (3R)-3-(1,3-benzodioxol-5-ylmethyl)-5,7-dihydroxy-6-methyl-2,3-dihydrochromen-4-one |
| Canonical SMILES | O=C1[C@@H](COc2c1c(O)c(c(c2)O)C)Cc1ccc2c(c1)OCO2 |
| Standard InCHI | InChI=1S/C18H16O6/c1-9-12(19)6-15-16(17(9)20)18(21)11(7-22-15)4-10-2-3-13-14(5-10)24-8-23-13/h2-3,5-6,11,19-20H,4,7-8H2,1H3/t11-/m1/s1 |
| Standard InCHIKey | QBRLTNYECODTFP-LLVKDONJSA-N |
| External Identifiers | ChEMBL [N/A]; PubChem [92449512]; |
| Reference of Component-Ingredient Pair | N/A |
Occurrence of the ingredient across TCM components
Ingredient ID: TCMC6813
Formula: C18H18O5
Ingredient ID: TCMC6813
| Common Name | Ophiopogonanone B |
| IUPAC Name | (3R)-5,7-dihydroxy-3-[(4-methoxyphenyl)methyl]-6-methyl-2,3-dihydrochromen-4-one |
| Canonical SMILES | COc1ccc(cc1)C[C@@H]1COc2c(C1=O)c(O)c(c(c2)O)C |
| Standard InCHI | InChI=1S/C18H18O5/c1-10-14(19)8-15-16(17(10)20)18(21)12(9-23-15)7-11-3-5-13(22-2)6-4-11/h3-6,8,12,19-20H,7,9H2,1-2H3/t12-/m1/s1 |
| Standard InCHIKey | OOHKTNVQRTUZRS-GFCCVEGCSA-N |
| External Identifiers | ChEMBL [N/A]; PubChem [53468064]; |
| Reference of Component-Ingredient Pair | N/A |
Occurrence of the ingredient across TCM components
Ingredient ID: TCMC6812
Formula: C19H20O6
Ingredient ID: TCMC6812
| Common Name | 5,7-Dihydroxy-6,8-Dimethyl-3-(4'-Hydroxy-3'-Methoxybenzyl)Chroman-4-One |
| IUPAC Name | (3R)-5,7-dihydroxy-3-[(4-hydroxy-3-methoxyphenyl)methyl]-6,8-dimethyl-2,3-dihydrochromen-4-one |
| Canonical SMILES | COc1cc(ccc1O)C[C@@H]1COc2c(C1=O)c(O)c(c(c2C)O)C |
| Standard InCHI | InChI=1S/C19H20O6/c1-9-16(21)10(2)19-15(17(9)22)18(23)12(8-25-19)6-11-4-5-13(20)14(7-11)24-3/h4-5,7,12,20-22H,6,8H2,1-3H3/t12-/m1/s1 |
| Standard InCHIKey | DPWJUIYOIZDQPQ-GFCCVEGCSA-N |
| External Identifiers | ChEMBL [N/A]; PubChem [53467849]; |
| Reference of Component-Ingredient Pair | N/A |
Occurrence of the ingredient across TCM components
Ingredient ID: TCMC6811
Formula: C19H18O6
Ingredient ID: TCMC6811
| Common Name | Methyl Ophiopogonanone A |
| IUPAC Name | (3R)-3-(1,3-benzodioxol-5-ylmethyl)-5,7-dihydroxy-6,8-dimethyl-2,3-dihydrochromen-4-one |
| Canonical SMILES | O=C1[C@@H](COc2c1c(O)c(C)c(c2C)O)Cc1ccc2c(c1)OCO2 |
| Standard InCHI | InChI=1S/C19H18O6/c1-9-16(20)10(2)19-15(17(9)21)18(22)12(7-23-19)5-11-3-4-13-14(6-11)25-8-24-13/h3-4,6,12,20-21H,5,7-8H2,1-2H3/t12-/m1/s1 |
| Standard InCHIKey | BXTNNJIQILYHJB-GFCCVEGCSA-N |
| External Identifiers | ChEMBL [N/A]; PubChem [53466984]; |
| Reference of Component-Ingredient Pair | 24218960 |
Occurrence of the ingredient across TCM components
Ingredient ID: TCMC6771
Formula: C19H20O5
Ingredient ID: TCMC6771
| Common Name | Methyl Ophiopogonanone B |
| IUPAC Name | (3R)-5,7-dihydroxy-3-[(4-methoxyphenyl)methyl]-6,8-dimethyl-2,3-dihydrochromen-4-one |
| Canonical SMILES | COc1ccc(cc1)C[C@@H]1COc2c(C1=O)c(O)c(c(c2C)O)C |
| Standard InCHI | InChI=1S/C19H20O5/c1-10-16(20)11(2)19-15(17(10)21)18(22)13(9-24-19)8-12-4-6-14(23-3)7-5-12/h4-7,13,20-21H,8-9H2,1-3H3/t13-/m1/s1 |
| Standard InCHIKey | UFMAZRUMVFVHLY-CYBMUJFWSA-N |
| External Identifiers | ChEMBL [CHEMBL1098293]; PubChem [46886723]; |
| Reference of Component-Ingredient Pair | 24218960 |
Occurrence of the ingredient across TCM components
Ingredient ID: TCMC6751
Formula: C41H64O13
Ingredient ID: TCMC6751
| Common Name | Ophiopogonin A |
| IUPAC Name | [(2S,3R,4R,5S,6S)-2-[(2R,3R,4S,5R,6R)-4,5-dihydroxy-2-[(1S,2S,4S,5'R,6R,7S,8R,9S,12S,13R,14R,16R)-16-hydroxy-5',7,9,13-tetramethylspiro[5-oxapentacyclo[10.8.0.02,9.04,8.013,18]icos-18-ene-6,2'-oxane]-14-yl]oxy-6-methyloxan-3-yl]oxy-3,5-dihydroxy-6-methyloxan-4-yl] acetate |
| Canonical SMILES | O[C@H]1C[C@@H](O[C@@H]2O[C@H](C)[C@@H]([C@@H]([C@H]2O[C@@H]2O[C@@H](C)[C@@H]([C@H]([C@H]2O)OC(=O)C)O)O)O)[C@]2(C(=CC[C@@H]3[C@@H]2CC[C@]2([C@H]3C[C@H]3[C@@H]2[C@H](C)[C@]2(O3)CC[C@H](CO2)C)C)C1)C |
| Standard InCHI | InChI=1S/C41H64O13/c1-18-10-13-41(48-17-18)19(2)30-28(54-41)16-27-25-9-8-23-14-24(43)15-29(40(23,7)26(25)11-12-39(27,30)6)52-38-36(33(46)31(44)20(3)50-38)53-37-34(47)35(51-22(5)42)32(45)21(4)49-37/h8,18-21,24-38,43-47H,9-17H2,1-7H3/t18-,19+,20-,21+,24-,25-,26+,27+,28+,29-,30+,31+,32+,33+,34-,35-,36-,37+,38+,39+,40+,41-/m1/s1 |
| Standard InCHIKey | KSIVGTKSVYIZEB-GDUJLLAZSA-N |
| External Identifiers | ChEMBL [N/A]; PubChem [46173858]; |
| Reference of Component-Ingredient Pair | 8987515 |
Occurrence of the ingredient across TCM components
Ingredient ID: TCMC6478
Formula: C16H28O6
Ingredient ID: TCMC6478
| Common Name | Borneol-2-O-Β-D-Glucopyranoside |
| IUPAC Name | (2R,3S,4S,5R,6R)-2-(hydroxymethyl)-6-[[(1S,2R,4S)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl]oxy]oxane-3,4,5-triol |
| Canonical SMILES | OC[C@H]1O[C@@H](O[C@@H]2C[C@H]3C([C@]2(C)CC3)(C)C)[C@@H]([C@H]([C@@H]1O)O)O |
| Standard InCHI | InChI=1S/C16H28O6/c1-15(2)8-4-5-16(15,3)10(6-8)22-14-13(20)12(19)11(18)9(7-17)21-14/h8-14,17-20H,4-7H2,1-3H3/t8-,9+,10+,11+,12-,13+,14-,16+/m0/s1 |
| Standard InCHIKey | JMCFZBXJPGDESD-CQXYJALYSA-N |
| External Identifiers | ChEMBL [N/A]; PubChem [21631069]; |
| Reference of Component-Ingredient Pair | N/A |
Occurrence of the ingredient across TCM components
Ingredient ID: TCMC632
Formula: C10H13N5O4
Ingredient ID: TCMC632
| Common Name | Adenosine |
| IUPAC Name | (2R,3R,4S,5R)-2-(6-aminopurin-9-yl)-5-(hydroxymethyl)oxolane-3,4-diol |
| Canonical SMILES | OC[C@H]1O[C@H]([C@@H]([C@@H]1O)O)n1cnc2c1ncnc2N |
| Standard InCHI | InChI=1S/C10H13N5O4/c11-8-5-9(13-2-12-8)15(3-14-5)10-7(18)6(17)4(1-16)19-10/h2-4,6-7,10,16-18H,1H2,(H2,11,12,13)/t4-,6-,7-,10-/m1/s1 |
| Standard InCHIKey | OIRDTQYFTABQOQ-KQYNXXCUSA-N |
| External Identifiers | ChEMBL [CHEMBL477]; PubChem [60961]; |
| Reference of Component-Ingredient Pair | 29968805 |
Occurrence of the ingredient across TCM components
| Component ID | Latin Name | Pinyin Name | Chinese Name |
|---|---|---|---|
| TCMH1008 | Pogostemon cablin | Huo Xiang | 藿香 |
| TCMH1009 | Pogostemon cablin | Huo Xiang Ye | 藿香叶 |
| TCMH1127 | Lonicera japonica | Jin Yin Hua | 金银花 |
| TCMH1128 | Lonicera japonica | Jin Yin Hua Ti Qu Ye | 金银花提取液 |
| TCMH1155 | Allium tuberosum | Jiu Cai | 韭菜 |
| TCMH1176 | Allium tuberosum | Jiu Zi | 韭子 |
| TCMH1177 | Ilex cornuta | Ju Gu Ye | 枸骨叶 |
| TCMH1197 | Selaginella tamariscina | Juan Bai | 卷柏 |
| TCMH1223 | Tussilago farfara | Kuan Dong Hua | 款冬花 |
| TCMH126 | Isatis indigotica | Ban Lan | 板蓝 |
Showing 1 to 10 of 96 entries
Ingredient ID: TCMC5939
Formula: C15H24
Ingredient ID: TCMC5939
| Common Name | Β-Patchoulene |
| IUPAC Name | (1R,5S,8R)-1,5,11,11-tetramethyltricyclo[6.2.1.02,6]undec-2(6)-ene |
| Canonical SMILES | C[C@H]1CCC2=C1C[C@H]1CC[C@@]2(C1(C)C)C |
| Standard InCHI | InChI=1S/C15H24/c1-10-5-6-13-12(10)9-11-7-8-15(13,4)14(11,2)3/h10-11H,5-9H2,1-4H3/t10-,11+,15-/m0/s1 |
| Standard InCHIKey | CSKINCSXMLCMAR-RWSFTLGLSA-N |
| External Identifiers | ChEMBL [N/A]; PubChem [12313993]; |
| Reference of Component-Ingredient Pair | N/A |
Occurrence of the ingredient across TCM components
Ingredient ID: TCMC5909
Formula: C15H24
Ingredient ID: TCMC5909
| Common Name | Cyperene |
| IUPAC Name | (1R,7R,10R)-4,10,11,11-tetramethyltricyclo[5.3.1.01,5]undec-4-ene |
| Canonical SMILES | CC1=C2C[C@@H]3C([C@@]2(CC1)[C@H](C)CC3)(C)C |
| Standard InCHI | InChI=1S/C15H24/c1-10-7-8-15-11(2)5-6-12(9-13(10)15)14(15,3)4/h11-12H,5-9H2,1-4H3/t11-,12-,15+/m1/s1 |
| Standard InCHIKey | RTBLDXVIGWSICW-JMSVASOKSA-N |
| External Identifiers | ChEMBL [N/A]; PubChem [12308843]; |
| Reference of Component-Ingredient Pair | 26125546 |
Occurrence of the ingredient across TCM components
Ingredient ID: TCMC5896
Formula: C11H16O2
Ingredient ID: TCMC5896
| Common Name | Jasmololone |
| IUPAC Name | (4S)-4-hydroxy-3-methyl-2-[(Z)-pent-2-enyl]cyclopent-2-en-1-one |
| Canonical SMILES | CC/C=CCC1=C(C)[C@H](CC1=O)O |
| Standard InCHI | InChI=1S/C11H16O2/c1-3-4-5-6-9-8(2)10(12)7-11(9)13/h4-5,10,12H,3,6-7H2,1-2H3/b5-4-/t10-/m0/s1 |
| Standard InCHIKey | SVRKACAGHUZSGU-LWTINBJPSA-N |
| External Identifiers | ChEMBL [N/A]; PubChem [12304693]; |
| Reference of Component-Ingredient Pair | 22006239 |
Occurrence of the ingredient across TCM components
Ingredient ID: TCMC5621
Formula: C17H17NO4
Ingredient ID: TCMC5621
| Common Name | N-[Β-Hydroxy-Β-(4-Hydroxyphenyl)]Ethyl-4-Hydroxy Cinnamide |
| IUPAC Name | (E)-N-[(2S)-2-hydroxy-2-(4-hydroxyphenyl)ethyl]-3-(4-hydroxyphenyl)prop-2-enamide |
| Canonical SMILES | O=C(NC[C@H](c1ccc(cc1)O)O)/C=C/c1ccc(cc1)O |
| Standard InCHI | InChI=1S/C17H17NO4/c19-14-6-1-12(2-7-14)3-10-17(22)18-11-16(21)13-4-8-15(20)9-5-13/h1-10,16,19-21H,11H2,(H,18,22)/b10-3+/t16-/m1/s1 |
| Standard InCHIKey | VATOSFCFMOPAHX-ZAFLOJKISA-N |
| External Identifiers | ChEMBL [N/A]; PubChem [11185637]; |
| Reference of Component-Ingredient Pair | N/A |
Occurrence of the ingredient across TCM components
Ingredient ID: TCMC5608
Formula: C19H14O7
Ingredient ID: TCMC5608
| Common Name | Ophiopogonone C |
| IUPAC Name | 3-(1,3-benzodioxol-5-ylmethyl)-5,7-dihydroxy-6-methyl-4-oxochromene-8-carbaldehyde |
| Canonical SMILES | O=Cc1c(O)c(C)c(c2c1occ(c2=O)Cc1ccc2c(c1)OCO2)O |
| Standard InCHI | InChI=1S/C19H14O7/c1-9-16(21)12(6-20)19-15(17(9)22)18(23)11(7-24-19)4-10-2-3-13-14(5-10)26-8-25-13/h2-3,5-7,21-22H,4,8H2,1H3 |
| Standard InCHIKey | MNAZQDBGIVJQLS-UHFFFAOYSA-N |
| External Identifiers | ChEMBL [N/A]; PubChem [11142766]; |
| Reference of Component-Ingredient Pair | 12444717 |
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: TCMC5338
Formula: C18H14O7
Ingredient ID: TCMC5338
| Common Name | 5,7,2'-Trihydroxy-6-Methyl-3-(3',4'-Methylenedioxybenzyl) Chromone |
| IUPAC Name | 5,7-dihydroxy-3-[(4-hydroxy-1,3-benzodioxol-5-yl)methyl]-6-methylchromen-4-one |
| Canonical SMILES | Oc1cc2occ(c(=O)c2c(c1C)O)Cc1ccc2c(c1O)OCO2 |
| Standard InCHI | InChI=1S/C18H14O7/c1-8-11(19)5-13-14(15(8)20)16(21)10(6-23-13)4-9-2-3-12-18(17(9)22)25-7-24-12/h2-3,5-6,19-20,22H,4,7H2,1H3 |
| Standard InCHIKey | KDPDKVVLTWLONU-UHFFFAOYSA-N |
| External Identifiers | ChEMBL [N/A]; PubChem [10246745]; |
| Reference of Component-Ingredient Pair | N/A |
Occurrence of the ingredient across TCM components
Ingredient ID: TCMC5319
Formula: C18H14O6
Ingredient ID: TCMC5319
| Common Name | Ophiopogonone A |
| IUPAC Name | 3-(1,3-benzodioxol-5-ylmethyl)-5,7-dihydroxy-6-methylchromen-4-one |
| Canonical SMILES | Oc1cc2occ(c(=O)c2c(c1C)O)Cc1ccc2c(c1)OCO2 |
| Standard InCHI | InChI=1S/C18H14O6/c1-9-12(19)6-15-16(17(9)20)18(21)11(7-22-15)4-10-2-3-13-14(5-10)24-8-23-13/h2-3,5-7,19-20H,4,8H2,1H3 |
| Standard InCHIKey | BBYSWXUKFBVXAO-UHFFFAOYSA-N |
| External Identifiers | ChEMBL [N/A]; PubChem [10087732]; |
| Reference of Component-Ingredient Pair | 19557931 |
Occurrence of the ingredient across TCM components
Ingredient ID: TCMC5298
Formula: C44H70O16
Ingredient ID: TCMC5298
| Common Name | Ophiopogonin D' |
| IUPAC Name | (2S,3R,4R,5R,6S)-2-[(2R,3R,4S,5R,6R)-5-hydroxy-6-(hydroxymethyl)-2-[(1S,2S,4S,5'R,6R,7S,8R,9S,12S,13R,16S)-5',7,9,13-tetramethylspiro[5-oxapentacyclo[10.8.0.02,9.04,8.013,18]icos-18-ene-6,2'-oxane]-16-yl]oxy-4-[(2S,3R,4S,5R)-3,4,5-trihydroxyoxan-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@]3(O4)CC[C@H](CO3)C)C)C2)C)[C@@H]([C@H]([C@@H]1O)O[C@@H]1OC[C@H]([C@@H]([C@H]1O)O)O)O[C@@H]1O[C@@H](C)[C@@H]([C@H]([C@H]1O)O)O |
| Standard InCHI | InChI=1S/C44H70O16/c1-19-8-13-44(54-17-19)20(2)30-28(60-44)15-26-24-7-6-22-14-23(9-11-42(22,4)25(24)10-12-43(26,30)5)56-41-38(59-40-36(52)34(50)31(47)21(3)55-40)37(33(49)29(16-45)57-41)58-39-35(51)32(48)27(46)18-53-39/h6,19-21,23-41,45-52H,7-18H2,1-5H3/t19-,20+,21+,23+,24-,25+,26+,27-,28+,29-,30+,31+,32+,33-,34-,35-,36-,37+,38-,39+,40+,41-,42+,43+,44-/m1/s1 |
| Standard InCHIKey | DQYACEDUQHWXQZ-QOYNBSPSSA-N |
| External Identifiers | ChEMBL [N/A]; PubChem [10033524]; |
| Reference of Component-Ingredient Pair | 29425641 |
Occurrence of the ingredient across TCM components
Ingredient ID: TCMC5013
Formula: C15H24
Ingredient ID: TCMC5013
| Common Name | Longifolene |
| IUPAC Name | (1R,2R,7S,9S)-3,3,7-trimethyl-8-methylidenetricyclo[5.4.0.02,9]undecane |
| Canonical SMILES | C=C1[C@H]2CC[C@H]3[C@]1(C)CCCC([C@H]23)(C)C |
| Standard InCHI | InChI=1S/C15H24/c1-10-11-6-7-12-13(11)14(2,3)8-5-9-15(10,12)4/h11-13H,1,5-9H2,2-4H3/t11-,12-,13-,15-/m1/s1 |
| Standard InCHIKey | PDSNLYSELAIEBU-RGCMKSIDSA-N |
| External Identifiers | ChEMBL [N/A]; PubChem [5489258]; |
| Reference of Component-Ingredient Pair | N/A |
Occurrence of the ingredient across TCM components
Ingredient ID: TCMC4968
Formula: C11H16O2
Ingredient ID: TCMC4968
| Common Name | Jasmololone |
| IUPAC Name | 4-hydroxy-3-methyl-2-[(E)-pent-2-enyl]cyclopent-2-en-1-one |
| Canonical SMILES | CC/C=C/CC1=C(C)C(CC1=O)O |
| Standard InCHI | InChI=1S/C11H16O2/c1-3-4-5-6-9-8(2)10(12)7-11(9)13/h4-5,10,12H,3,6-7H2,1-2H3/b5-4+ |
| Standard InCHIKey | SVRKACAGHUZSGU-SNAWJCMRSA-N |
| External Identifiers | ChEMBL [N/A]; PubChem [5374699]; |
| Reference of Component-Ingredient Pair | 29122986 |
Occurrence of the ingredient across TCM components
Ingredient ID: TCMC4965
Formula: C17H17NO3
Ingredient ID: TCMC4965
| Common Name | N-( Trans-P-Coumaroyl) Tyramine |
| IUPAC Name | (E)-3-(4-hydroxyphenyl)-N-[2-(4-hydroxyphenyl)ethyl]prop-2-enamide |
| Canonical SMILES | O=C(/C=C/c1ccc(cc1)O)NCCc1ccc(cc1)O |
| Standard InCHI | InChI=1S/C17H17NO3/c19-15-6-1-13(2-7-15)5-10-17(21)18-12-11-14-3-8-16(20)9-4-14/h1-10,19-20H,11-12H2,(H,18,21)/b10-5+ |
| Standard InCHIKey | RXGUTQNKCXHALN-BJMVGYQFSA-N |
| External Identifiers | ChEMBL [CHEMBL64286]; PubChem [5372945]; |
| Reference of Component-Ingredient Pair | 15620234 |
Occurrence of the ingredient across TCM components
Ingredient ID: TCMC4546
Formula: C19H16O6
Ingredient ID: TCMC4546
| Common Name | 6-Aldehydo-Isoophiopogone B |
| IUPAC Name | 5,7-dihydroxy-3-[(4-methoxyphenyl)methyl]-8-methyl-4-oxochromene-6-carbaldehyde |
| Canonical SMILES | COc1ccc(cc1)Cc1coc2c(c1=O)c(O)c(c(c2C)O)C=O |
| Standard InCHI | InChI=1S/C19H16O6/c1-10-16(21)14(8-20)18(23)15-17(22)12(9-25-19(10)15)7-11-3-5-13(24-2)6-4-11/h3-6,8-9,21,23H,7H2,1-2H3 |
| Standard InCHIKey | MPUAHKMJGSMMIL-UHFFFAOYSA-N |
| External Identifiers | ChEMBL [N/A]; PubChem [5317212]; |
| Reference of Component-Ingredient Pair | US2014335050 |
Occurrence of the ingredient across TCM components
Ingredient ID: TCMC4545
Formula: C19H14O7
Ingredient ID: TCMC4545
| Common Name | 6-Aldehydo-Isoophiopogone A |
| IUPAC Name | 3-(1,3-benzodioxol-5-ylmethyl)-5,7-dihydroxy-8-methyl-4-oxochromene-6-carbaldehyde |
| Canonical SMILES | O=Cc1c(O)c(C)c2c(c1O)c(=O)c(co2)Cc1ccc2c(c1)OCO2 |
| Standard InCHI | InChI=1S/C19H14O7/c1-9-16(21)12(6-20)18(23)15-17(22)11(7-24-19(9)15)4-10-2-3-13-14(5-10)26-8-25-13/h2-3,5-7,21,23H,4,8H2,1H3 |
| Standard InCHIKey | RTHZSGZAVUIROF-UHFFFAOYSA-N |
| External Identifiers | ChEMBL [N/A]; PubChem [5317207]; |
| Reference of Component-Ingredient Pair | 19425020 |
Occurrence of the ingredient across TCM components
Ingredient ID: TCMC4324
Formula: C29H48O
Ingredient ID: TCMC4324
| Common Name | Stigmasterol |
| IUPAC Name | (3S,8S,9S,10R,13R,14S,17R)-17-[(E,2R,5R)-5-ethyl-6-methylhept-3-en-2-yl]-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-ol |
| Canonical SMILES | CC[C@H](C(C)C)/C=C/[C@H]([C@H]1CC[C@@H]2[C@]1(C)CC[C@H]1[C@H]2CC=C2[C@]1(C)CC[C@@H](C2)O)C |
| Standard InCHI | InChI=1S/C29H48O/c1-7-21(19(2)3)9-8-20(4)25-12-13-26-24-11-10-22-18-23(30)14-16-28(22,5)27(24)15-17-29(25,26)6/h8-10,19-21,23-27,30H,7,11-18H2,1-6H3/b9-8+/t20-,21+,23+,24+,25-,26+,27+,28+,29-/m1/s1 |
| Standard InCHIKey | HCXVJBMSMIARIN-KEJCWXRGSA-N |
| External Identifiers | ChEMBL [CHEMBL400247]; PubChem [5281330]; |
| Reference of Component-Ingredient Pair | 24242815 |
Occurrence of the ingredient across TCM components
| Component ID | Latin Name | Pinyin Name | Chinese Name |
|---|---|---|---|
| TCMH1127 | Lonicera japonica | Jin Yin Hua | 金银花 |
| TCMH1186 | Lycium chinense | Gou Qi Zi | 枸杞子 |
| TCMH12 | Artemisia argyi | Ai Ye | 艾叶 |
| TCMH1376 | Trachelospermum jasminoides | Luo Shi Teng | 络石藤 |
| TCMH1423 | Ophiopogon japonicus | Mai Dong | 麦冬 |
| TCMH1499 | Changium smyrnioides | Ming Dang Shen | 明党参 |
| TCMH1531 | Akebia quinata | Mu Tong | 木通 |
| TCMH1533 | Saussurea lappa | Mu Xiang | 木香 |
| TCMH1680 | Sinomenium acutum | Qing Feng Teng | 青风藤 |
| TCMH1721 | Panax ginseng | Ren Shen | 人参 |
Showing 1 to 10 of 37 entries
Ingredient ID: TCMC410
Formula: C11H25NO
Ingredient ID: TCMC410
| Common Name | 3-(2-Ethylhexoxy)Propan-1-Amine |
| IUPAC Name | 3-(2-ethylhexoxy)propan-1-amine |
| Canonical SMILES | CCCCC(COCCCN)CC |
| Standard InCHI | InChI=1S/C11H25NO/c1-3-5-7-11(4-2)10-13-9-6-8-12/h11H,3-10,12H2,1-2H3 |
| Standard InCHIKey | DVFGEIYOLIFSRX-UHFFFAOYSA-N |
| External Identifiers | ChEMBL [CHEMBL1331832]; PubChem [21499]; |
| Reference of Component-Ingredient Pair | N/A |
Occurrence of the ingredient across TCM components
Ingredient ID: TCMC4097
Formula: C19H16O7
Ingredient ID: TCMC4097
| Common Name | Ophiopogonanone C |
| IUPAC Name | (3R)-3-(1,3-benzodioxol-5-ylmethyl)-5,7-dihydroxy-6-methyl-4-oxo-2,3-dihydrochromene-8-carbaldehyde |
| Canonical SMILES | O=Cc1c2OC[C@H](C(=O)c2c(c(c1O)C)O)Cc1ccc2c(c1)OCO2 |
| Standard InCHI | InChI=1S/C19H16O7/c1-9-16(21)12(6-20)19-15(17(9)22)18(23)11(7-24-19)4-10-2-3-13-14(5-10)26-8-25-13/h2-3,5-6,11,21-22H,4,7-8H2,1H3/t11-/m1/s1 |
| Standard InCHIKey | AQUXTCZWTTUERG-LLVKDONJSA-N |
| External Identifiers | ChEMBL [N/A]; PubChem [637458]; |
| Reference of Component-Ingredient Pair | N/A |
Occurrence of the ingredient across TCM components
Ingredient ID: TCMC4094
Formula: C19H20O7
Ingredient ID: TCMC4094
| Common Name | Ophiopogonanone E |
| IUPAC Name | (3R)-5,7-dihydroxy-3-[(2-hydroxy-4-methoxyphenyl)methyl]-8-methoxy-6-methyl-2,3-dihydrochromen-4-one |
| Canonical SMILES | COc1ccc(c(c1)O)C[C@@H]1COc2c(C1=O)c(O)c(c(c2OC)O)C |
| Standard InCHI | InChI=1S/C19H20O7/c1-9-15(21)14-17(23)11(8-26-18(14)19(25-3)16(9)22)6-10-4-5-12(24-2)7-13(10)20/h4-5,7,11,20-22H,6,8H2,1-3H3/t11-/m1/s1 |
| Standard InCHIKey | FMFZMWWKEGLLRS-LLVKDONJSA-N |
| External Identifiers | ChEMBL [N/A]; PubChem [637306]; |
| Reference of Component-Ingredient Pair | N/A |
Occurrence of the ingredient across TCM components
Ingredient ID: TCMC3853
Formula: C27H42O4
Ingredient ID: TCMC3853
| Common Name | Ruscogenin |
| IUPAC Name | (1S,2S,4S,5'R,6R,7S,8R,9S,12S,13R,14R,16R)-5',7,9,13-tetramethylspiro[5-oxapentacyclo[10.8.0.02,9.04,8.013,18]icos-18-ene-6,2'-oxane]-14,16-diol |
| 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=C3[C@]([C@H]1CC2)(C)[C@H](O)C[C@@H](C3)O)C |
| Standard InCHI | InChI=1S/C27H42O4/c1-15-7-10-27(30-14-15)16(2)24-22(31-27)13-21-19-6-5-17-11-18(28)12-23(29)26(17,4)20(19)8-9-25(21,24)3/h5,15-16,18-24,28-29H,6-14H2,1-4H3/t15-,16+,18-,19-,20+,21+,22+,23-,24+,25+,26+,27-/m1/s1 |
| Standard InCHIKey | QMQIQBOGXYYATH-IDABPMKMSA-N |
| External Identifiers | ChEMBL [CHEMBL1169820]; PubChem [441893]; |
| Reference of Component-Ingredient Pair | 16957914 |
Occurrence of the ingredient across TCM components
Ingredient ID: TCMC3742
Formula: C15H26O
Ingredient ID: TCMC3742
| Common Name | Guaiol |
| IUPAC Name | 2-[(3S,5R,8S)-3,8-dimethyl-1,2,3,4,5,6,7,8-octahydroazulen-5-yl]propan-2-ol |
| Canonical SMILES | C[C@H]1CC[C@H](CC2=C1CC[C@@H]2C)C(O)(C)C |
| Standard InCHI | InChI=1S/C15H26O/c1-10-5-7-12(15(3,4)16)9-14-11(2)6-8-13(10)14/h10-12,16H,5-9H2,1-4H3/t10-,11-,12+/m0/s1 |
| Standard InCHIKey | TWVJWDMOZJXUID-SDDRHHMPSA-N |
| External Identifiers | ChEMBL [CHEMBL226915]; PubChem [227829]; |
| Reference of Component-Ingredient Pair | 22422531 |
Occurrence of the ingredient across TCM components
| Component ID | Latin Name | Pinyin Name | Chinese Name |
|---|---|---|---|
| TCMH1423 | Ophiopogon japonicus | Mai Dong | 麦冬 |
| TCMH144 | Herba artemisiae anomalae | Bei Liu Ji Nu | 北刘寄奴 |
| TCMH1665 | Notopterygium incisum | Qiang Huo | 羌活 |
| TCMH1803 | Amomum villosum | Sha Ren | 砂仁 |
| TCMH1920 | Acorus tatarinowii | Shi Chang Pu | 石菖蒲 |
| TCMH211 | Atractylodes lancea | Cang Zhu | 苍术 |
| TCMH517 | Angelica pubescens | Du Huo | 独活 |
Showing 1 to 7 of 7 entries
Ingredient ID: TCMC3371
Formula: C15H24
Ingredient ID: TCMC3371
| Common Name | Α-Cyperene |
| IUPAC Name | 4,10,11,11-tetramethyltricyclo[5.3.1.01,5]undec-4-ene |
| Canonical SMILES | CC1=C2CC3C(C2(CC1)C(C)CC3)(C)C |
| Standard InCHI | InChI=1S/C15H24/c1-10-7-8-15-11(2)5-6-12(9-13(10)15)14(15,3)4/h11-12H,5-9H2,1-4H3 |
| Standard InCHIKey | RTBLDXVIGWSICW-UHFFFAOYSA-N |
| External Identifiers | ChEMBL [N/A]; PubChem [99856]; |
| Reference of Component-Ingredient Pair | 20044567 |
Occurrence of the ingredient across TCM components
Ingredient ID: TCMC2463
Formula: C39H62O12
Ingredient ID: TCMC2463
| Common Name | Ophiopogonin C |
| 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)O)O[C@@H]1O[C@@H](C)[C@@H]([C@H]([C@H]1O)O)O |
| Standard InCHI | InChI=1S/C39H62O12/c1-18-8-13-39(46-17-18)19(2)28-26(51-39)15-25-23-7-6-21-14-22(9-11-37(21,4)24(23)10-12-38(25,28)5)48-36-34(32(44)30(42)27(16-40)49-36)50-35-33(45)31(43)29(41)20(3)47-35/h6,18-20,22-36,40-45H,7-17H2,1-5H3/t18-,19+,20+,22+,23-,24+,25+,26+,27-,28+,29+,30-,31-,32+,33-,34-,35+,36-,37+,38+,39-/m1/s1 |
| Standard InCHIKey | HDXIQHTUNGFJIC-FOAHKCLGSA-N |
| External Identifiers | ChEMBL [CHEMBL395415]; PubChem [11061578]; |
| Reference of Component-Ingredient Pair | 24358789 |
Occurrence of the ingredient across TCM components
| Component ID | Latin Name | Pinyin Name | Chinese Name |
|---|---|---|---|
| TCMH1273 | Radix ophiopogonis | Lian Xin Mai Dong | 连心麦冬 |
| 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 |
| TCMH347 | Radix ophiopogonis | Cun Dong | 寸冬 |
Showing 1 to 6 of 6 entries
Ingredient ID: TCMC1786
Formula: C30H48O3
Ingredient ID: TCMC1786
| Common Name | Oleanolic_Acid |
| IUPAC Name | (4aS,6aR,6aS,6bR,8aR,10S,12aR,14bS)-10-hydroxy-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 | 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/C30H48O3/c1-25(2)14-16-30(24(32)33)17-15-28(6)19(20(30)18-25)8-9-22-27(5)12-11-23(31)26(3,4)21(27)10-13-29(22,28)7/h8,20-23,31H,9-18H2,1-7H3,(H,32,33)/t20-,21-,22+,23-,27-,28+,29+,30-/m0/s1 |
| Standard InCHIKey | MIJYXULNPSFWEK-GTOFXWBISA-N |
| External Identifiers | ChEMBL [CHEMBL168]; PubChem [10494]; |
| Reference of Component-Ingredient Pair | 22002744 |
Occurrence of the ingredient across TCM components
| Component ID | Latin Name | Pinyin Name | Chinese Name |
|---|---|---|---|
| TCMH1000 | Foeniculum vulgare | Hui Xiang | 茴香 |
| TCMH1008 | Pogostemon cablin | Huo Xiang | 藿香 |
| TCMH1009 | Pogostemon cablin | Huo Xiang Ye | 藿香叶 |
| TCMH1039 | Kummerowia striata | Ji Yan Cao | 鸡眼草 |
| TCMH108 | Perilla frutescens | Bai Su Zi | 白苏子 |
| TCMH1080 | Platycodon grandiflorum | Jie Geng | 桔梗 |
| TCMH1082 | Platycodon grandiflorum | Jie Geng Gan Gao | 桔梗干膏 |
| TCMH1083 | Platycodon grandiflorum | Jie Geng Gan Gao Fen | 桔梗干膏粉 |
| TCMH1084 | Platycodon grandiflorum | Jie Geng Liu Jin Gao | 桔梗流浸膏 |
| TCMH1085 | Platycodon grandiflorum | Jie Geng Liu Zhu Gao | 桔梗流注膏 |
Showing 1 to 10 of 135 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: 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: TCMC1298
Formula: C10H13N5O5
Ingredient ID: TCMC1298
| Common Name | Guanosine |
| IUPAC Name | 2-amino-9-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-3H-purin-6-one |
| Canonical SMILES | OC[C@H]1O[C@H]([C@@H]([C@@H]1O)O)n1cnc2c1[nH]c(=N)nc2O |
| Standard InCHI | InChI=1S/C10H13N5O5/c11-10-13-7-4(8(19)14-10)12-2-15(7)9-6(18)5(17)3(1-16)20-9/h2-3,5-6,9,16-18H,1H2,(H3,11,13,14,19)/t3-,5-,6-,9-/m1/s1 |
| Standard InCHIKey | NYHBQMYGNKIUIF-UUOKFMHZSA-N |
| External Identifiers | ChEMBL [CHEMBL375655]; PubChem [6802]; |
| Reference of Component-Ingredient Pair | N/A |
Occurrence of the ingredient across TCM components
| Component ID | Latin Name | Pinyin Name | Chinese Name |
|---|---|---|---|
| TCMH1008 | Pogostemon cablin | Huo Xiang | 藿香 |
| TCMH1009 | Pogostemon cablin | Huo Xiang Ye | 藿香叶 |
| TCMH1127 | Lonicera japonica | Jin Yin Hua | 金银花 |
| TCMH1128 | Lonicera japonica | Jin Yin Hua Ti Qu Ye | 金银花提取液 |
| TCMH1197 | Selaginella tamariscina | Juan Bai | 卷柏 |
| TCMH1296 | Ganoderma lucidum | Ling Zhi Jin Gao | 灵芝浸膏 |
| TCMH1299 | Ganoderma lucidum | Ling Zhi(1) | 灵芝 |
| TCMH130 | Pinellia ternata | Ban Xia | 半夏 |
| TCMH131 | Pinellia ternata | Ban Xia Qu | 半夏曲 |
| TCMH1423 | Ophiopogon japonicus | Mai Dong | 麦冬 |
Showing 1 to 10 of 56 entries
Properties
| Ingredient ID | Formulae | Name | MW | AlogP | MlogP | XlogP | # HBA | # HBD | PSA | # Rotatable Bond | # Ring | # Heacy Atom | Lipinski RO5 Violation |
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| TCMC1298 | C10H13N5O5 | Guanosine | 283.09 | -2.2152 | 1.46 | -1.643 | 10 | 6 | 156.21 | 6 | 3 | 20 | 1 |
| TCMC1530 | C6H6O3 | Maltol | 126.03 | -0.6804 | 1.79 | 0.907 | 3 | 1 | 46.53 | 2 | 1 | 9 | 0 |
| TCMC1767 | C18H19NO4 | N-Trans-Feruloyl Tyramine | 313.13 | -0.6499 | 2.89 | 3.109 | 2 | 3 | 82.28 | 10 | 2 | 23 | 0 |
| TCMC1786 | C30H48O3 | Oleanolic_Acid | 456.36 | 2.1298 | 4.43 | 9.052 | 3 | 2 | 57.53 | 10 | 5 | 33 | 1 |
| TCMC2463 | C39H62O12 | Ophiopogonin C | 722.42 | -2.7167 | 4.43 | 4.099 | 12 | 6 | 176.76 | 16 | 8 | 51 | 2 |
| TCMC3371 | C15H24 | Α-Cyperene | 204.1878008 | 2.0475 | 3.11 | 5.852 | 0 | 0 | 0 | 0 | 3 | 15 | 1 |
| TCMC3742 | C15H26O | Guaiol | 222.1983655 | 1.3215 | 3 | 4.027 | 1 | 1 | 20.23 | 1 | 2 | 16 | 0 |
| TCMC3853 | C27H42O4 | Ruscogenin | 430.3083098 | -0.296 | 3.99 | 4.378 | 4 | 2 | 58.92 | 0 | 6 | 31 | 0 |
| TCMC4094 | C19H20O7 | Ophiopogonanone E | 360.120903 | -1.0723 | 2.78 | 0.312 | 1 | 3 | 105.45 | 4 | 3 | 26 | 0 |
| TCMC4097 | C19H16O7 | Ophiopogonanone C | 356.0896029 | -1.0035 | 2.78 | 1.282 | 2 | 2 | 102.29 | 3 | 4 | 26 | 0 |
Showing 1 to 10 of 40 entries
Download Data
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