Description of the Component
Component ID |
TCMH992 |
Latin Name |
Scutellaria baicalensis |
English Name |
Extract of root of Baikal skullcaap |
Chinese Pinyin Name |
Huang Qin Tan |
中文名 |
黄芩炭 |
TCM Properties |
|
TCM Meridians |
|
Therapeutic Class English |
|
Therapeutic Class Chinese |
|
Functions |
|
Toxicity |
NA |
Geo-authentic habitats (道地产区) |
NA |
Reference |
Chinese Pharmacopoeia (2015) |
Barcode ID |
ITSAP4211-14 |
Barcode Source |
BOLDSYSTEMS |
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 |
| TCMT100 | TTR | Transthyretin | Unclassified | P02766 |
| TCMT101 | PTPN1 | Protein-tyrosine phosphatase 1B | Hydrolase | P18031 |
| TCMT11 | HIF1A | Hypoxia-inducible factor 1 alpha | Transcription factor | Q16665 |
| TCMT125 | GBA | Beta-glucocerebrosidase | Hydrolase | P04062 |
| TCMT126 | TERT | Telomerase reverse transcriptase | Transferase | O14746 |
| TCMT127 | PARP1 | Poly [ADP-ribose] polymerase-1 | Transferase | P09874 |
| TCMT128 | TNKS2 | Tankyrase-2 | Transferase | Q9H2K2 |
| TCMT129 | TNKS | Tankyrase-1 | Transferase | O95271 |
| TCMT13 | APEX1 | DNA-(apurinic or apyrimidinic site) lyase | Lyase | P27695 |
Showing 1 to 10 of 98 entries
Targeted Pathogenic Microbes by the Ingredient of Component
| Target ID | Target Name |
|---|---|
| TCMT1090 | Human immunodeficiency virus type 1 integrase |
| TCMT1094 | 3-oxoacyl-acyl-carrier protein reductase |
| TCMT1099 | Neuraminidase |
| TCMT1176 | Streptococcus pneumoniae |
| TCMT1191 | Bacillus megaterium |
| TCMT1214 | Enterococcus faecium |
| TCMT1217 | Bacillus anthracis |
| TCMT1218 | Staphylococcus aureus |
| TCMT1226 | Klebsiella pneumoniae |
| TCMT1229 | Enterococcus faecalis |
Showing 1 to 10 of 36 entries
Ingredient Structrues
Ingredient ID: TCMC937
Formula: C18H20O5
Ingredient ID: TCMC937
| Common Name | Combretastatin A4 |
| IUPAC Name | 2-methoxy-5-[(Z)-2-(3,4,5-trimethoxyphenyl)ethenyl]phenol |
| Canonical SMILES | COc1cc(/C=Cc2ccc(c(c2)O)OC)cc(c1OC)OC |
| Standard InCHI | InChI=1S/C18H20O5/c1-20-15-8-7-12(9-14(15)19)5-6-13-10-16(21-2)18(23-4)17(11-13)22-3/h5-11,19H,1-4H3/b6-5- |
| Standard InCHIKey | HVXBOLULGPECHP-WAYWQWQTSA-N |
| External Identifiers | ChEMBL [CHEMBL67]; PubChem [5351344]; |
| Reference of Component-Ingredient Pair | N/A |
Occurrence of the ingredient across TCM components
| Component ID | Latin Name | Pinyin Name | Chinese Name |
|---|---|---|---|
| TCMH1622 | Scutellaria baicalensis | Pian Qin | 片芩 |
| TCMH986 | Scutellaria baicalensis | Huang Qin | 黄芩 |
| TCMH989 | Scutellaria baicalensis | Huang Qin Jin Gao | 黄芩浸膏 |
| TCMH990 | Scutellaria baicalensis | Huang Qin Jin Gao Fen | 黄芩浸膏粉 |
| TCMH992 | Scutellaria baicalensis | Huang Qin Tan | 黄芩炭 |
Showing 1 to 5 of 5 entries
Ingredient ID: TCMC908
Formula: C15H10O4
Ingredient ID: TCMC908
| Common Name | Chrysin |
| IUPAC Name | 5,7-dihydroxy-2-phenylchromen-4-one |
| Canonical SMILES | Oc1cc(O)c2c(c1)oc(cc2=O)c1ccccc1 |
| Standard InCHI | InChI=1S/C15H10O4/c16-10-6-11(17)15-12(18)8-13(19-14(15)7-10)9-4-2-1-3-5-9/h1-8,16-17H |
| Standard InCHIKey | RTIXKCRFFJGDFG-UHFFFAOYSA-N |
| External Identifiers | ChEMBL [CHEMBL117]; PubChem [5281607]; |
| Reference of Component-Ingredient Pair | 29162470 |
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 |
| TCMH1181 | Chrysanthemum morifolium | Ju Hua | 菊花 |
| TCMH1437 | Rhododendron dauricum | Man Shan Hong | 满山红 |
| TCMH1490 | Aster tataricus | Mi Zi Wan | 蜜紫菀 |
| TCMH1519 | Oroxylum indicum | Mu Hu Die | 木蝴蝶 |
| TCMH1622 | Scutellaria baicalensis | Pian Qin | 片芩 |
| TCMH1714 | Lonicera japonica | Ren Dong Teng | 忍冬藤 |
| TCMH1823 | Alpinia zerumbet | Shan Jiang | 山姜 |
| TCMH2071 | Prunus persica | Tao | 桃 |
Showing 1 to 10 of 33 entries
Ingredient ID: TCMC897
Formula: C16H18O9
Ingredient ID: TCMC897
| Common Name | Chlorogenic Acid |
| IUPAC Name | (1S,3R,4R,5R)-3-[(E)-3-(3,4-dihydroxyphenyl)prop-2-enoyl]oxy-1,4,5-trihydroxycyclohexane-1-carboxylic acid |
| Canonical SMILES | O=C(O[C@@H]1C[C@@](O)(C[C@H]([C@H]1O)O)C(=O)O)/C=C/c1ccc(c(c1)O)O |
| Standard InCHI | InChI=1S/C16H18O9/c17-9-3-1-8(5-10(9)18)2-4-13(20)25-12-7-16(24,15(22)23)6-11(19)14(12)21/h1-5,11-12,14,17-19,21,24H,6-7H2,(H,22,23)/b4-2+/t11-,12-,14-,16+/m1/s1 |
| Standard InCHIKey | CWVRJTMFETXNAD-JUHZACGLSA-N |
| External Identifiers | ChEMBL [CHEMBL284616]; PubChem [1794427]; |
| Reference of Component-Ingredient Pair | 29136249 |
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 |
| TCMH1011 | Sargentodoxa cuneata | Huo Xue Teng | 活血藤 |
| TCMH1025 | Loropetalum chinense | Ji Mu Ye Jin Gao | 继木叶浸膏 |
| TCMH1033 | Centella asiatica | Ji Xue Cao | 积雪草 |
| TCMH1064 | Coptis chinensis | Jiang Huang Lian | 姜黄连 |
| TCMH108 | Perilla frutescens | Bai Su Zi | 白苏子 |
| TCMH1096 | Inula japonica | Jin Fei Cao | 金沸草 |
| TCMH1127 | Lonicera japonica | Jin Yin Hua | 金银花 |
Showing 1 to 10 of 197 entries
Ingredient ID: TCMC841
Formula: C10H10O
Ingredient ID: TCMC841
| Common Name | Butenone |
| IUPAC Name | (E)-4-phenylbut-3-en-2-one |
| Canonical SMILES | CC(=O)/C=C/c1ccccc1 |
| Standard InCHI | InChI=1S/C10H10O/c1-9(11)7-8-10-5-3-2-4-6-10/h2-8H,1H3/b8-7+ |
| Standard InCHIKey | BWHOZHOGCMHOBV-BQYQJAHWSA-N |
| External Identifiers | ChEMBL [CHEMBL73639]; PubChem [637759]; |
| Reference of Component-Ingredient Pair | 8612205 |
Occurrence of the ingredient across TCM components
| Component ID | Latin Name | Pinyin Name | Chinese Name |
|---|---|---|---|
| TCMH1622 | Scutellaria baicalensis | Pian Qin | 片芩 |
| TCMH363 | Rheum officinale | Da Huang | 大黄 |
| TCMH365 | Rheum officinale | Da Huang Jin Gao | 大黄浸膏 |
| TCMH366 | Rheum officinale | Da Huang Liu Jin Gao | 大黄流浸膏 |
| TCMH986 | Scutellaria baicalensis | Huang Qin | 黄芩 |
| TCMH989 | Scutellaria baicalensis | Huang Qin Jin Gao | 黄芩浸膏 |
| TCMH990 | Scutellaria baicalensis | Huang Qin Jin Gao Fen | 黄芩浸膏粉 |
| TCMH992 | Scutellaria baicalensis | Huang Qin Tan | 黄芩炭 |
Showing 1 to 8 of 8 entries
Ingredient ID: TCMC756
Formula: C21H18O11
Ingredient ID: TCMC756
| Common Name | Baicalin |
| IUPAC Name | (2S,3S,4S,5R,6S)-6-(5,6-dihydroxy-4-oxo-2-phenylchromen-7-yl)oxy-3,4,5-trihydroxyoxane-2-carboxylic acid |
| Canonical SMILES | OC(=O)[C@H]1O[C@@H](Oc2cc3oc(cc(=O)c3c(c2O)O)c2ccccc2)[C@@H]([C@H]([C@@H]1O)O)O |
| Standard InCHI | InChI=1S/C21H18O11/c22-9-6-10(8-4-2-1-3-5-8)30-11-7-12(14(23)15(24)13(9)11)31-21-18(27)16(25)17(26)19(32-21)20(28)29/h1-7,16-19,21,23-27H,(H,28,29)/t16-,17-,18+,19-,21+/m0/s1 |
| Standard InCHIKey | IKIIZLYTISPENI-ZFORQUDYSA-N |
| External Identifiers | ChEMBL [CHEMBL485818]; PubChem [64982]; |
| Reference of Component-Ingredient Pair | 27019979 |
Occurrence of the ingredient across TCM components
| Component ID | Latin Name | Pinyin Name | Chinese Name |
|---|---|---|---|
| TCMH1181 | Chrysanthemum morifolium | Ju Hua | 菊花 |
| TCMH132 | Scutellaria barbata | Ban Zhi Lian | 半枝莲 |
| TCMH1396 | Portulaca oleracea | Ma Chi Xian | 马齿苋 |
| TCMH1519 | Oroxylum indicum | Mu Hu Die | 木蝴蝶 |
| TCMH1622 | Scutellaria baicalensis | Pian Qin | 片芩 |
| TCMH1865 | Paeonia obovata | Shao Yao | 芍药 |
| TCMH1965 | Rheum palmatum | Shu Da Huang | 熟大黄 |
| TCMH2071 | Prunus persica | Tao | 桃 |
| TCMH2073 | Prunus persica | Tao Ren | 桃仁 |
| TCMH2074 | Prunus persica | Tao Ren Shuang | 桃仁霜 |
Showing 1 to 10 of 32 entries
Ingredient ID: TCMC755
Formula: C15H10O5
Ingredient ID: TCMC755
| Common Name | Baicalein |
| IUPAC Name | 5,6,7-trihydroxy-2-phenylchromen-4-one |
| Canonical SMILES | Oc1cc2oc(cc(=O)c2c(c1O)O)c1ccccc1 |
| Standard InCHI | InChI=1S/C15H10O5/c16-9-6-11(8-4-2-1-3-5-8)20-12-7-10(17)14(18)15(19)13(9)12/h1-7,17-19H |
| Standard InCHIKey | FXNFHKRTJBSTCS-UHFFFAOYSA-N |
| External Identifiers | ChEMBL [CHEMBL8260]; PubChem [5281605]; |
| Reference of Component-Ingredient Pair | 25349334 |
Occurrence of the ingredient across TCM components
| Component ID | Latin Name | Pinyin Name | Chinese Name |
|---|---|---|---|
| TCMH132 | Scutellaria barbata | Ban Zhi Lian | 半枝莲 |
| TCMH1519 | Oroxylum indicum | Mu Hu Die | 木蝴蝶 |
| TCMH1622 | Scutellaria baicalensis | Pian Qin | 片芩 |
| TCMH1865 | Paeonia obovata | Shao Yao | 芍药 |
| TCMH1965 | Rheum palmatum | Shu Da Huang | 熟大黄 |
| TCMH2071 | Prunus persica | Tao | 桃 |
| TCMH2073 | Prunus persica | Tao Ren | 桃仁 |
| TCMH2074 | Prunus persica | Tao Ren Shuang | 桃仁霜 |
| TCMH2077 | Prunus persica | Tao Zhi | 桃枝 |
| TCMH258 | Paeonia obovata | Chi Shao | 赤芍 |
Showing 1 to 10 of 24 entries
Ingredient ID: TCMC710
Formula: C15H10O5
Ingredient ID: TCMC710
| Common Name | Apigenin |
| IUPAC Name | 5,7-dihydroxy-2-(4-hydroxyphenyl)chromen-4-one |
| Canonical SMILES | Oc1ccc(cc1)c1cc(=O)c2c(o1)cc(cc2O)O |
| Standard InCHI | InChI=1S/C15H10O5/c16-9-3-1-8(2-4-9)13-7-12(19)15-11(18)5-10(17)6-14(15)20-13/h1-7,16-18H |
| Standard InCHIKey | KZNIFHPLKGYRTM-UHFFFAOYSA-N |
| External Identifiers | ChEMBL [CHEMBL28]; PubChem [5280443]; |
| Reference of Component-Ingredient Pair | 29162470 |
Occurrence of the ingredient across TCM components
| Component ID | Latin Name | Pinyin Name | Chinese Name |
|---|---|---|---|
| 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 |
| TCMH1033 | Centella asiatica | Ji Xue Cao | 积雪草 |
| TCMH1059 | Glycine max | Jiang | 姜 |
| TCMH1062 | Glycine max | Jiang Gao | 姜膏 |
| TCMH1067 | Glycine max | Jiang Tan | 姜炭 |
| TCMH108 | Perilla frutescens | Bai Su Zi | 白苏子 |
| TCMH1105 | Trollius chinensis | Jin Lian Hua | 金莲花 |
| TCMH1127 | Lonicera japonica | Jin Yin Hua | 金银花 |
Showing 1 to 10 of 159 entries
Ingredient ID: TCMC614
Formula: C29H36O15
Ingredient ID: TCMC614
| Common Name | Acetoside |
| IUPAC Name | [(2R,3R,4R,5R,6R)-6-[2-(3,4-dihydroxyphenyl)ethoxy]-5-hydroxy-2-(hydroxymethyl)-4-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-3-yl] (E)-3-(3,4-dihydroxyphenyl)prop-2-enoate |
| Canonical SMILES | OC[C@H]1O[C@@H](OCCc2ccc(c(c2)O)O)[C@@H]([C@H]([C@@H]1OC(=O)/C=C/c1ccc(c(c1)O)O)O[C@@H]1O[C@@H](C)[C@@H]([C@H]([C@H]1O)O)O)O |
| Standard InCHI | InChI=1S/C29H36O15/c1-13-22(36)23(37)24(38)29(41-13)44-27-25(39)28(40-9-8-15-3-6-17(32)19(34)11-15)42-20(12-30)26(27)43-21(35)7-4-14-2-5-16(31)18(33)10-14/h2-7,10-11,13,20,22-34,36-39H,8-9,12H2,1H3/b7-4+/t13-,20+,22-,23+,24+,25+,26+,27+,28+,29-/m0/s1 |
| Standard InCHIKey | FBSKJMQYURKNSU-ZLSOWSIRSA-N |
| External Identifiers | ChEMBL [CHEMBL444478]; PubChem [5281800]; |
| Reference of Component-Ingredient Pair | 22723176 |
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 |
| TCMH1272 | Forsythia suspensa | Lian Qiao | 连翘 |
| TCMH1285 | Orobanche coerulescens | Lie Dang | 列当 |
| TCMH130 | Pinellia ternata | Ban Xia | 半夏 |
| TCMH131 | Pinellia ternata | Ban Xia Qu | 半夏曲 |
| TCMH1393 | Verbena officinalis | Ma Bian Cao | 马鞭草 |
| TCMH1466 | Rosa rugosa | Mei Gui Hua | 玫瑰花 |
| TCMH1487 | Buddleja officinalis | Mi Meng Hua | 密蒙花 |
| TCMH1571 | Daphniphyllum calycinum | Niu Er Feng | 牛耳枫 |
Showing 1 to 10 of 38 entries
Ingredient ID: TCMC606
Formula: C16H12O5
Ingredient ID: TCMC606
| Common Name | Acacetin |
| IUPAC Name | 5,7-dihydroxy-2-(4-methoxyphenyl)chromen-4-one |
| Canonical SMILES | COc1ccc(cc1)c1cc(=O)c2c(o1)cc(cc2O)O |
| Standard InCHI | InChI=1S/C16H12O5/c1-20-11-4-2-9(3-5-11)14-8-13(19)16-12(18)6-10(17)7-15(16)21-14/h2-8,17-18H,1H3 |
| Standard InCHIKey | DANYIYRPLHHOCZ-UHFFFAOYSA-N |
| External Identifiers | ChEMBL [CHEMBL243664]; PubChem [5280442]; |
| Reference of Component-Ingredient Pair | 25455453 |
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 |
| TCMH1105 | Trollius chinensis | Jin Lian Hua | 金莲花 |
| TCMH1142 | Schizonepetae spica | Jing Jie Sui | 荆芥穗 |
| TCMH1181 | Chrysanthemum morifolium | Ju Hua | 菊花 |
| TCMH1185 | Lycium chinense | Gou Qi | 枸杞 |
| TCMH1186 | Lycium chinense | Gou Qi Zi | 枸杞子 |
| TCMH1487 | Buddleja officinalis | Mi Meng Hua | 密蒙花 |
| TCMH1571 | Daphniphyllum calycinum | Niu Er Feng | 牛耳枫 |
Showing 1 to 10 of 29 entries
Ingredient ID: TCMC534
Formula: C16H14O5
Ingredient ID: TCMC534
| Common Name | 5,7-Dihydroxy-6-Methoxy-2-Phenyl-2,3-Dihydrochromen-4-One |
| IUPAC Name | 5,7-dihydroxy-6-methoxy-2-phenyl-2,3-dihydrochromen-4-one |
| Canonical SMILES | COc1c(O)cc2c(c1O)C(=O)CC(O2)c1ccccc1 |
| Standard InCHI | InChI=1S/C16H14O5/c1-20-16-11(18)8-13-14(15(16)19)10(17)7-12(21-13)9-5-3-2-4-6-9/h2-6,8,12,18-19H,7H2,1H3 |
| Standard InCHIKey | QUAPPCXFYKSDSV-UHFFFAOYSA-N |
| External Identifiers | ChEMBL [CHEMBL1517942]; PubChem [5316733]; |
| Reference of Component-Ingredient Pair | N/A |
Occurrence of the ingredient across TCM components
| Component ID | Latin Name | Pinyin Name | Chinese Name |
|---|---|---|---|
| TCMH132 | Scutellaria barbata | Ban Zhi Lian | 半枝莲 |
| TCMH1622 | Scutellaria baicalensis | Pian Qin | 片芩 |
| TCMH986 | Scutellaria baicalensis | Huang Qin | 黄芩 |
| TCMH989 | Scutellaria baicalensis | Huang Qin Jin Gao | 黄芩浸膏 |
| TCMH990 | Scutellaria baicalensis | Huang Qin Jin Gao Fen | 黄芩浸膏粉 |
| TCMH992 | Scutellaria baicalensis | Huang Qin Tan | 黄芩炭 |
Showing 1 to 6 of 6 entries
Ingredient ID: TCMC522
Formula: C15H10O5
Ingredient ID: TCMC522
| Common Name | 5,7-Dihydroxy-2-(2-Hydroxyphenyl)Chromen-4-One |
| IUPAC Name | 5,7-dihydroxy-2-(2-hydroxyphenyl)chromen-4-one |
| Canonical SMILES | Oc1cc(O)c2c(c1)oc(cc2=O)c1ccccc1O |
| Standard InCHI | InChI=1S/C15H10O5/c16-8-5-11(18)15-12(19)7-13(20-14(15)6-8)9-3-1-2-4-10(9)17/h1-7,16-18H |
| Standard InCHIKey | OFYPDAKTVZXXPC-UHFFFAOYSA-N |
| External Identifiers | ChEMBL [CHEMBL242385]; PubChem [5322064]; |
| Reference of Component-Ingredient Pair | 16595941 |
Occurrence of the ingredient across TCM components
| Component ID | Latin Name | Pinyin Name | Chinese Name |
|---|---|---|---|
| TCMH132 | Scutellaria barbata | Ban Zhi Lian | 半枝莲 |
| TCMH1622 | Scutellaria baicalensis | Pian Qin | 片芩 |
| TCMH986 | Scutellaria baicalensis | Huang Qin | 黄芩 |
| TCMH989 | Scutellaria baicalensis | Huang Qin Jin Gao | 黄芩浸膏 |
| TCMH990 | Scutellaria baicalensis | Huang Qin Jin Gao Fen | 黄芩浸膏粉 |
| TCMH992 | Scutellaria baicalensis | Huang Qin Tan | 黄芩炭 |
Showing 1 to 6 of 6 entries
Ingredient ID: TCMC519
Formula: C21H20O10
Ingredient ID: TCMC519
| Common Name | 5,6-Dihydroxy-2-Phenyl-7-[(2S,3R,4S,5S,6R)-3,4,5-Trihydroxy-6-(Hydroxymethyl)Oxan-2-Yl]Oxychromen-4-One |
| IUPAC Name | 5,6-dihydroxy-2-phenyl-7-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxychromen-4-one |
| Canonical SMILES | OC[C@H]1O[C@@H](Oc2cc3oc(cc(=O)c3c(c2O)O)c2ccccc2)[C@@H]([C@H]([C@@H]1O)O)O |
| Standard InCHI | InChI=1S/C21H20O10/c22-8-14-17(25)19(27)20(28)21(31-14)30-13-7-12-15(18(26)16(13)24)10(23)6-11(29-12)9-4-2-1-3-5-9/h1-7,14,17,19-22,24-28H,8H2/t14-,17-,19+,20-,21-/m1/s1 |
| Standard InCHIKey | IPQKDIRUZHOIOM-IAAKTDFRSA-N |
| External Identifiers | ChEMBL [CHEMBL516858]; PubChem [5320313]; |
| Reference of Component-Ingredient Pair | 10872235 |
Occurrence of the ingredient across TCM components
| Component ID | Latin Name | Pinyin Name | Chinese Name |
|---|---|---|---|
| TCMH1519 | Oroxylum indicum | Mu Hu Die | 木蝴蝶 |
| TCMH1622 | Scutellaria baicalensis | Pian Qin | 片芩 |
| TCMH986 | Scutellaria baicalensis | Huang Qin | 黄芩 |
| TCMH989 | Scutellaria baicalensis | Huang Qin Jin Gao | 黄芩浸膏 |
| TCMH990 | Scutellaria baicalensis | Huang Qin Jin Gao Fen | 黄芩浸膏粉 |
| TCMH992 | Scutellaria baicalensis | Huang Qin Tan | 黄芩炭 |
Showing 1 to 6 of 6 entries
Ingredient ID: TCMC417
Formula: C15H10O5
Ingredient ID: TCMC417
| Common Name | 3',4',7-Trihydroxyflavon |
| IUPAC Name | 2-(3,4-dihydroxyphenyl)-7-hydroxychromen-4-one |
| Canonical SMILES | Oc1ccc2c(c1)oc(cc2=O)c1ccc(c(c1)O)O |
| Standard InCHI | InChI=1S/C15H10O5/c16-9-2-3-10-12(18)7-14(20-15(10)6-9)8-1-4-11(17)13(19)5-8/h1-7,16-17,19H |
| Standard InCHIKey | PVFGJHYLIHMCQD-UHFFFAOYSA-N |
| External Identifiers | ChEMBL [CHEMBL301624]; PubChem [5322065]; |
| Reference of Component-Ingredient Pair | N/A |
Occurrence of the ingredient across TCM components
| Component ID | Latin Name | Pinyin Name | Chinese Name |
|---|---|---|---|
| TCMH143 | Albizia julibrissin | Bei He Huan | 北合欢 |
| TCMH1475 | Glycyrrhiza uralensis | Mi Gan Cao | 蜜甘草 |
| TCMH1622 | Scutellaria baicalensis | Pian Qin | 片芩 |
| TCMH1899 | Glycyrrhiza uralensis | Sheng Gan Cao | 生甘草 |
| TCMH2135 | Glycyrrhiza uralensis | Tu Gan Cao | 土甘草 |
| TCMH628 | Glycyrrhiza uralensis | Gan Cao | 甘草 |
| TCMH629 | Glycyrrhiza uralensis | Gan Cao Fen | 甘草粉 |
| TCMH630 | Glycyrrhiza uralensis | Gan Cao Gan Gao | 甘草干膏 |
| TCMH631 | Glycyrrhiza uralensis | Gan Cao Gan Gao Fen | 甘草干膏粉 |
| TCMH632 | Glycyrrhiza uralensis | Gan Cao Gan Jin Gao | 甘草干浸膏 |
Showing 1 to 10 of 18 entries
Ingredient ID: TCMC24
Formula: C15H14O6
Ingredient ID: TCMC24
| Common Name | (+)-Epicatechin |
| IUPAC Name | (2S,3S)-2-(3,4-dihydroxyphenyl)-3,4-dihydro-2H-chromene-3,5,7-triol |
| Canonical SMILES | Oc1cc2O[C@@H](c3ccc(c(c3)O)O)[C@H](Cc2c(c1)O)O |
| Standard InCHI | InChI=1S/C15H14O6/c16-8-4-11(18)9-6-13(20)15(21-14(9)5-8)7-1-2-10(17)12(19)3-7/h1-5,13,15-20H,6H2/t13-,15-/m0/s1 |
| Standard InCHIKey | PFTAWBLQPZVEMU-ZFWWWQNUSA-N |
| External Identifiers | ChEMBL [CHEMBL129482]; PubChem [182232]; |
| Reference of Component-Ingredient Pair | 20213173 |
Occurrence of the ingredient across TCM components
| Component ID | Latin Name | Pinyin Name | Chinese Name |
|---|---|---|---|
| TCMH1011 | Sargentodoxa cuneata | Huo Xue Teng | 活血藤 |
| TCMH1033 | Centella asiatica | Ji Xue Cao | 积雪草 |
| TCMH108 | Perilla frutescens | Bai Su Zi | 白苏子 |
| TCMH1117 | Rhizoma fagopyri cymosi | Jin Qiao Mai | 金荞麦 |
| TCMH1133 | Rosa laevigata | Jin Ying Zi | 金樱子 |
| TCMH1134 | Rosa laevigata | Jin Ying Zi Rou | 金樱子肉 |
| TCMH1135 | Rosa laevigata | Jin Ying Zi Ti Qu Ye | 金樱子提取液 |
| TCMH1165 | Murraya paniculata | Jiu Li Xiang | 九里香 |
| TCMH1264 | Litchi chinensis | Li Zhi He | 荔枝核 |
| TCMH1275 | Nelumbo nucifera | Lian Zi | 莲子 |
Showing 1 to 10 of 79 entries
Ingredient ID: TCMC2324
Formula: C10H16
Ingredient ID: TCMC2324
| Common Name | Limonene |
| IUPAC Name | (4R)-1-methyl-4-prop-1-en-2-ylcyclohexene |
| Canonical SMILES | CC1=CC[C@@H](CC1)C(=C)C |
| Standard InCHI | InChI=1S/C10H16/c1-8(2)10-6-4-9(3)5-7-10/h4,10H,1,5-7H2,2-3H3/t10-/m0/s1 |
| Standard InCHIKey | XMGQYMWWDOXHJM-JTQLQIEISA-N |
| External Identifiers | ChEMBL [CHEMBL449062]; PubChem [440917]; |
| Reference of Component-Ingredient Pair | 22945026 |
Occurrence of the ingredient across TCM components
| Component ID | Latin Name | Pinyin Name | Chinese Name |
|---|---|---|---|
| TCMH1000 | Foeniculum vulgare | Hui Xiang | 茴香 |
| TCMH1063 | Curcuma longa | Jiang Huang | 姜黄 |
| TCMH108 | Perilla frutescens | Bai Su Zi | 白苏子 |
| TCMH1141 | Schizonepeta tenuifolia | Jing Jie | 荆芥 |
| TCMH1142 | Schizonepetae spica | Jing Jie Sui | 荆芥穗 |
| TCMH1165 | Murraya paniculata | Jiu Li Xiang | 九里香 |
| TCMH1178 | Citrus reticulata | Ju He | 橘核 |
| TCMH1184 | Citrus reticulata | Ju Pi | 橘皮 |
| TCMH1185 | Lycium chinense | Gou Qi | 枸杞 |
| TCMH1186 | Lycium chinense | Gou Qi Zi | 枸杞子 |
Showing 1 to 10 of 147 entries
Ingredient ID: TCMC2292
Formula: C16H12O6
Ingredient ID: TCMC2292
| Common Name | 4'-Hydroxywogonin |
| IUPAC Name | 5,7-dihydroxy-2-(4-hydroxyphenyl)-8-methoxychromen-4-one |
| Canonical SMILES | COc1c(O)cc(c2c1oc(cc2=O)c1ccc(cc1)O)O |
| Standard InCHI | InChI=1S/C16H12O6/c1-21-15-12(20)6-10(18)14-11(19)7-13(22-16(14)15)8-2-4-9(17)5-3-8/h2-7,17-18,20H,1H3 |
| Standard InCHIKey | OEZZJTAJYYSQKM-UHFFFAOYSA-N |
| External Identifiers | ChEMBL [CHEMBL245712]; PubChem [5322078]; |
| Reference of Component-Ingredient Pair | 20862635 |
Occurrence of the ingredient across TCM components
| Component ID | Latin Name | Pinyin Name | Chinese Name |
|---|---|---|---|
| TCMH1111 | Polygala glomerata | Jin Niu Cao | 金牛草 |
| TCMH132 | Scutellaria barbata | Ban Zhi Lian | 半枝莲 |
| TCMH1393 | Verbena officinalis | Ma Bian Cao | 马鞭草 |
| TCMH1622 | Scutellaria baicalensis | Pian Qin | 片芩 |
| TCMH2232 | Scutellaria amoena | Xi Nan Huang Qin | 西南黄芩 |
| TCMH807 | Scutellaria indica | Han Xin Cao | 韩信草 |
| TCMH986 | Scutellaria baicalensis | Huang Qin | 黄芩 |
| TCMH989 | Scutellaria baicalensis | Huang Qin Jin Gao | 黄芩浸膏 |
| TCMH990 | Scutellaria baicalensis | Huang Qin Jin Gao Fen | 黄芩浸膏粉 |
| TCMH992 | Scutellaria baicalensis | Huang Qin Tan | 黄芩炭 |
Showing 1 to 10 of 10 entries
Ingredient ID: TCMC2237
Formula: C16H12O5
Ingredient ID: TCMC2237
| Common Name | Wogonin |
| IUPAC Name | 5,7-dihydroxy-8-methoxy-2-phenylchromen-4-one |
| Canonical SMILES | COc1c(O)cc(c2c1oc(cc2=O)c1ccccc1)O |
| Standard InCHI | InChI=1S/C16H12O5/c1-20-15-12(19)7-10(17)14-11(18)8-13(21-16(14)15)9-5-3-2-4-6-9/h2-8,17,19H,1H3 |
| Standard InCHIKey | XLTFNNCXVBYBSX-UHFFFAOYSA-N |
| External Identifiers | ChEMBL [CHEMBL16171]; PubChem [5281703]; |
| Reference of Component-Ingredient Pair | 22885972 |
Occurrence of the ingredient across TCM components
| Component ID | Latin Name | Pinyin Name | Chinese Name |
|---|---|---|---|
| TCMH1064 | Coptis chinensis | Jiang Huang Lian | 姜黄连 |
| TCMH1161 | Coptis chinensis | Jiu Huang Lian | 酒黄连 |
| TCMH132 | Scutellaria barbata | Ban Zhi Lian | 半枝莲 |
| TCMH1519 | Oroxylum indicum | Mu Hu Die | 木蝴蝶 |
| TCMH1622 | Scutellaria baicalensis | Pian Qin | 片芩 |
| TCMH1856 | Gardenia jasminoides | Shan Zhi | 山栀 |
| TCMH2071 | Prunus persica | Tao | 桃 |
| TCMH2073 | Prunus persica | Tao Ren | 桃仁 |
| TCMH2074 | Prunus persica | Tao Ren Shuang | 桃仁霜 |
| TCMH2077 | Prunus persica | Tao Zhi | 桃枝 |
Showing 1 to 10 of 47 entries
Ingredient ID: TCMC2188
Formula: C17H14O7
Ingredient ID: TCMC2188
| Common Name | Tricin |
| IUPAC Name | 5,7-dihydroxy-2-(4-hydroxy-3,5-dimethoxyphenyl)chromen-4-one |
| Canonical SMILES | COc1cc(cc(c1O)OC)c1cc(=O)c2c(o1)cc(cc2O)O |
| Standard InCHI | InChI=1S/C17H14O7/c1-22-14-3-8(4-15(23-2)17(14)21)12-7-11(20)16-10(19)5-9(18)6-13(16)24-12/h3-7,18-19,21H,1-2H3 |
| Standard InCHIKey | HRGUSFBJBOKSML-UHFFFAOYSA-N |
| External Identifiers | ChEMBL [CHEMBL454320]; PubChem [5281702]; |
| Reference of Component-Ingredient Pair | 22983843 |
Occurrence of the ingredient across TCM components
| Component ID | Latin Name | Pinyin Name | Chinese Name |
|---|---|---|---|
| TCMH1064 | Coptis chinensis | Jiang Huang Lian | 姜黄连 |
| TCMH1127 | Lonicera japonica | Jin Yin Hua | 金银花 |
| TCMH1128 | Lonicera japonica | Jin Yin Hua Ti Qu Ye | 金银花提取液 |
| TCMH1161 | Coptis chinensis | Jiu Huang Lian | 酒黄连 |
| TCMH143 | Albizia julibrissin | Bei He Huan | 北合欢 |
| TCMH1435 | Psychotria serpens | Man Jiu Jie | 蔓九节 |
| TCMH1519 | Oroxylum indicum | Mu Hu Die | 木蝴蝶 |
| 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 |
| TCMH1622 | Scutellaria baicalensis | Pian Qin | 片芩 |
Showing 1 to 10 of 40 entries
Ingredient ID: TCMC2138
Formula: C16H12O4
Ingredient ID: TCMC2138
| Common Name | Techtochrysin |
| IUPAC Name | 5-hydroxy-7-methoxy-2-phenylchromen-4-one |
| Canonical SMILES | COc1cc(O)c2c(c1)oc(cc2=O)c1ccccc1 |
| Standard InCHI | InChI=1S/C16H12O4/c1-19-11-7-12(17)16-13(18)9-14(20-15(16)8-11)10-5-3-2-4-6-10/h2-9,17H,1H3 |
| Standard InCHIKey | IRZVHDLBAYNPCT-UHFFFAOYSA-N |
| External Identifiers | ChEMBL [CHEMBL164841]; PubChem [5281954]; |
| Reference of Component-Ingredient Pair | 21416454 |
Occurrence of the ingredient across TCM components
| Component ID | Latin Name | Pinyin Name | Chinese Name |
|---|---|---|---|
| TCMH109 | Pulsatilla chinensis | Bai Tou Weng | 白头翁 |
| TCMH1490 | Aster tataricus | Mi Zi Wan | 蜜紫菀 |
| TCMH1519 | Oroxylum indicum | Mu Hu Die | 木蝴蝶 |
| TCMH1622 | Scutellaria baicalensis | Pian Qin | 片芩 |
| TCMH1823 | Alpinia zerumbet | Shan Jiang | 山姜 |
| TCMH2148 | Cuscuta australis | Tu Si Rou | 菟丝肉 |
| TCMH2149 | Cuscuta australis | Tu Si Zi | 菟丝子 |
| TCMH2150 | Cuscuta australis | Tu Si Zi Teng | 菟丝子藤 |
| TCMH2488 | Alpinia oxyphylla | Yi Zhi | 益智 |
| TCMH2491 | Alpinia oxyphylla | Yi Zhi Ren | 益智仁 |
Showing 1 to 10 of 21 entries
Ingredient ID: TCMC2055
Formula: C21H18O12
Ingredient ID: TCMC2055
| Common Name | Scutellarin |
| IUPAC Name | (2S,3S,4S,5R,6S)-6-[5,6-dihydroxy-2-(4-hydroxyphenyl)-4-oxochromen-7-yl]oxy-3,4,5-trihydroxyoxane-2-carboxylic acid |
| Canonical SMILES | OC(=O)[C@H]1O[C@@H](Oc2cc3oc(cc(=O)c3c(c2O)O)c2ccc(cc2)O)[C@@H]([C@H]([C@@H]1O)O)O |
| Standard InCHI | InChI=1S/C21H18O12/c22-8-3-1-7(2-4-8)10-5-9(23)13-11(31-10)6-12(14(24)15(13)25)32-21-18(28)16(26)17(27)19(33-21)20(29)30/h1-6,16-19,21-22,24-28H,(H,29,30)/t16-,17-,18+,19-,21+/m0/s1 |
| Standard InCHIKey | DJSISFGPUUYILV-ZFORQUDYSA-N |
| External Identifiers | ChEMBL [CHEMBL487805]; PubChem [185617]; |
| Reference of Component-Ingredient Pair | 17323972 |
Occurrence of the ingredient across TCM components
| Component ID | Latin Name | Pinyin Name | Chinese Name |
|---|---|---|---|
| TCMH108 | Perilla frutescens | Bai Su Zi | 白苏子 |
| TCMH132 | Scutellaria barbata | Ban Zhi Lian | 半枝莲 |
| TCMH1396 | Portulaca oleracea | Ma Chi Xian | 马齿苋 |
| TCMH1622 | Scutellaria baicalensis | Pian Qin | 片芩 |
| TCMH2213 | Ipomoea cairica | Wu Zhao Long | 五爪龙 |
| TCMH440 | Erigeron breviscapus | Deng Zhan Xi Xin | 灯盏细辛 |
| TCMH986 | Scutellaria baicalensis | Huang Qin | 黄芩 |
| TCMH989 | Scutellaria baicalensis | Huang Qin Jin Gao | 黄芩浸膏 |
| TCMH990 | Scutellaria baicalensis | Huang Qin Jin Gao Fen | 黄芩浸膏粉 |
| TCMH992 | Scutellaria baicalensis | Huang Qin Tan | 黄芩炭 |
Showing 1 to 10 of 10 entries
Ingredient ID: TCMC2054
Formula: C15H10O6
Ingredient ID: TCMC2054
| Common Name | Scutellarein |
| IUPAC Name | 5,6,7-trihydroxy-2-(4-hydroxyphenyl)chromen-4-one |
| Canonical SMILES | Oc1ccc(cc1)c1cc(=O)c2c(o1)cc(c(c2O)O)O |
| Standard InCHI | InChI=1S/C15H10O6/c16-8-3-1-7(2-4-8)11-5-9(17)13-12(21-11)6-10(18)14(19)15(13)20/h1-6,16,18-20H |
| Standard InCHIKey | JVXZRQGOGOXCEC-UHFFFAOYSA-N |
| External Identifiers | ChEMBL [CHEMBL55415]; PubChem [5281697]; |
| Reference of Component-Ingredient Pair | 22944352 |
Occurrence of the ingredient across TCM components
| Component ID | Latin Name | Pinyin Name | Chinese Name |
|---|---|---|---|
| TCMH108 | Perilla frutescens | Bai Su Zi | 白苏子 |
| TCMH132 | Scutellaria barbata | Ban Zhi Lian | 半枝莲 |
| TCMH1503 | Eclipta prostrata | Mo Han Lian | 墨旱莲 |
| TCMH1519 | Oroxylum indicum | Mu Hu Die | 木蝴蝶 |
| TCMH1622 | Scutellaria baicalensis | Pian Qin | 片芩 |
| TCMH2232 | Scutellaria amoena | Xi Nan Huang Qin | 西南黄芩 |
| TCMH2450 | Scoparia dulcis | Ye Gan Cao | 野甘草 |
| TCMH440 | Erigeron breviscapus | Deng Zhan Xi Xin | 灯盏细辛 |
| TCMH807 | Scutellaria indica | Han Xin Cao | 韩信草 |
| TCMH986 | Scutellaria baicalensis | Huang Qin | 黄芩 |
Showing 1 to 10 of 13 entries
Ingredient ID: TCMC1965
Formula: C21H20O9
Ingredient ID: TCMC1965
| Common Name | Puerarin |
| IUPAC Name | 7-hydroxy-3-(4-hydroxyphenyl)-8-[(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(O)ccc2c1occ(c2=O)c1ccc(cc1)O |
| Standard InCHI | InChI=1S/C21H20O9/c22-7-14-17(26)18(27)19(28)21(30-14)15-13(24)6-5-11-16(25)12(8-29-20(11)15)9-1-3-10(23)4-2-9/h1-6,8,14,17-19,21-24,26-28H,7H2/t14-,17-,18+,19-,21+/m1/s1 |
| Standard InCHIKey | HKEAFJYKMMKDOR-VPRICQMDSA-N |
| External Identifiers | ChEMBL [CHEMBL486386]; PubChem [5281807]; |
| Reference of Component-Ingredient Pair | 20706672 |
Occurrence of the ingredient across TCM components
| Component ID | Latin Name | Pinyin Name | Chinese Name |
|---|---|---|---|
| TCMH1622 | Scutellaria baicalensis | Pian Qin | 片芩 |
| TCMH228 | Bupleurum chinense | Chai Hu | 柴胡 |
| TCMH229 | Bupleurum chinense | Chai Hu Jin Gao | 柴胡浸膏 |
| TCMH230 | Bupleurum chinense | Chai Hu Shao | 柴胡梢 |
| TCMH2335 | Hemerocallis fulva | Xuan Cao Gen | 萱草根 |
| TCMH2407 | Bupleurum chinense | Yan Tai Chai Hu | 烟台柴胡 |
| TCMH388 | Ziziphus jujuba | Da Zao | 大枣 |
| TCMH573 | Pueraria thomsonii | Fen Ge | 粉葛 |
| TCMH644 | Pueraria lobata | Gan Ge | 干葛 |
| TCMH677 | Pueraria lobata | Ge Gen | 葛根 |
Showing 1 to 10 of 16 entries
Ingredient ID: TCMC1901
Formula: C15H14O2
Ingredient ID: TCMC1901
| Common Name | Pinosylvin Methyl Ether |
| IUPAC Name | 3-methoxy-5-[(E)-2-phenylethenyl]phenol |
| Canonical SMILES | COc1cc(/C=C/c2ccccc2)cc(c1)O |
| Standard InCHI | InChI=1S/C15H14O2/c1-17-15-10-13(9-14(16)11-15)8-7-12-5-3-2-4-6-12/h2-11,16H,1H3/b8-7+ |
| Standard InCHIKey | JVIXPWIEOVZVJC-BQYQJAHWSA-N |
| External Identifiers | ChEMBL [CHEMBL186366]; PubChem [5281719]; |
| Reference of Component-Ingredient Pair | N/A |
Occurrence of the ingredient across TCM components
| Component ID | Latin Name | Pinyin Name | Chinese Name |
|---|---|---|---|
| TCMH128 | Castanea mollissima | Ban Li Ke | 板栗壳 |
| TCMH1490 | Aster tataricus | Mi Zi Wan | 蜜紫菀 |
| TCMH1622 | Scutellaria baicalensis | Pian Qin | 片芩 |
| TCMH2148 | Cuscuta australis | Tu Si Rou | 菟丝肉 |
| TCMH2149 | Cuscuta australis | Tu Si Zi | 菟丝子 |
| TCMH2150 | Cuscuta australis | Tu Si Zi Teng | 菟丝子藤 |
| TCMH2200 | Firmiana simplex | Wu Tong Ye Jin Gao | 梧桐叶浸膏 |
| TCMH264 | Laggera pterodonta | Chu Ling Dan | 臭灵丹 |
| TCMH265 | Laggera pterodonta | Chu Ling Dan Cao | 臭灵丹草 |
| TCMH2728 | Aster tataricus | Zi Wan | 紫菀 |
Showing 1 to 10 of 16 entries
Ingredient ID: TCMC1798
Formula: C16H12O5
Ingredient ID: TCMC1798
| Common Name | Oroxylin A |
| IUPAC Name | 5,7-dihydroxy-6-methoxy-2-phenylchromen-4-one |
| Canonical SMILES | COc1c(O)cc2c(c1O)c(=O)cc(o2)c1ccccc1 |
| Standard InCHI | InChI=1S/C16H12O5/c1-20-16-11(18)8-13-14(15(16)19)10(17)7-12(21-13)9-5-3-2-4-6-9/h2-8,18-19H,1H3 |
| Standard InCHIKey | LKOJGSWUMISDOF-UHFFFAOYSA-N |
| External Identifiers | ChEMBL [CHEMBL183513]; PubChem [5320315]; |
| Reference of Component-Ingredient Pair | 1608273 |
Occurrence of the ingredient across TCM components
| Component ID | Latin Name | Pinyin Name | Chinese Name |
|---|---|---|---|
| TCMH1519 | Oroxylum indicum | Mu Hu Die | 木蝴蝶 |
| TCMH1622 | Scutellaria baicalensis | Pian Qin | 片芩 |
| TCMH2071 | Prunus persica | Tao | 桃 |
| TCMH2073 | Prunus persica | Tao Ren | 桃仁 |
| TCMH2074 | Prunus persica | Tao Ren Shuang | 桃仁霜 |
| TCMH2077 | Prunus persica | Tao Zhi | 桃枝 |
| TCMH2232 | Scutellaria amoena | Xi Nan Huang Qin | 西南黄芩 |
| TCMH303 | Andrographis herba | Chuan Xin Lian Ye | 穿心莲叶 |
| TCMH524 | Eucommia ulmoides | Du Zhong | 杜仲 |
| TCMH525 | Eucommia ulmoides | Du Zhong Tan | 杜仲炭 |
Showing 1 to 10 of 15 entries
Ingredient ID: TCMC1788
Formula: C18H34O2
Ingredient ID: TCMC1788
| Common Name | Oleic Acid |
| IUPAC Name | (Z)-octadec-9-enoic acid |
| Canonical SMILES | CCCCCCCC/C=CCCCCCCCC(=O)O |
| Standard InCHI | InChI=1S/C18H34O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20/h9-10H,2-8,11-17H2,1H3,(H,19,20)/b10-9- |
| Standard InCHIKey | ZQPPMHVWECSIRJ-KTKRTIGZSA-N |
| External Identifiers | ChEMBL [CHEMBL8659]; PubChem [445639]; |
| 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 |
| 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 |
| TCMH1111 | Polygala glomerata | Jin Niu Cao | 金牛草 |
| TCMH1118 | Lygodium japonicum | Jin Sha Teng | 金沙藤 |
Showing 1 to 10 of 166 entries
Ingredient ID: TCMC1495
Formula: C18H32O2
Ingredient ID: TCMC1495
| Common Name | Linoleic Acid |
| IUPAC Name | (9Z,12Z)-octadeca-9,12-dienoic acid |
| Canonical SMILES | CCCCC/C=CC/C=CCCCCCCCC(=O)O |
| Standard InCHI | InChI=1S/C18H32O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20/h6-7,9-10H,2-5,8,11-17H2,1H3,(H,19,20)/b7-6-,10-9- |
| Standard InCHIKey | OYHQOLUKZRVURQ-HZJYTTRNSA-N |
| External Identifiers | ChEMBL [CHEMBL267476]; PubChem [5280450]; |
| 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 |
| 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 |
| TCMH1111 | Polygala glomerata | Jin Niu Cao | 金牛草 |
| TCMH1118 | Lygodium japonicum | Jin Sha Teng | 金沙藤 |
Showing 1 to 10 of 216 entries
Ingredient ID: TCMC1173
Formula: C10H10O4
Ingredient ID: TCMC1173
| Common Name | Ferulic Acid |
| IUPAC Name | (E)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoic acid |
| Canonical SMILES | COc1cc(/C=C/C(=O)O)ccc1O |
| Standard InCHI | InChI=1S/C10H10O4/c1-14-9-6-7(2-4-8(9)11)3-5-10(12)13/h2-6,11H,1H3,(H,12,13)/b5-3+ |
| Standard InCHIKey | KSEBMYQBYZTDHS-HWKANZROSA-N |
| External Identifiers | ChEMBL [CHEMBL32749]; PubChem [445858]; |
| Reference of Component-Ingredient Pair | 25130191 |
Occurrence of the ingredient across TCM components
| Component ID | Latin Name | Pinyin Name | Chinese Name |
|---|---|---|---|
| TCMH1000 | Foeniculum vulgare | Hui Xiang | 茴香 |
| TCMH101 | Chelidonium majus | Bai Qu Cai | 白屈菜 |
| TCMH1024 | Tribulus terrestris | Ji Li | 蒺藜 |
| TCMH1033 | Centella asiatica | Ji Xue Cao | 积雪草 |
| TCMH1064 | Coptis chinensis | Jiang Huang Lian | 姜黄连 |
| TCMH108 | Perilla frutescens | Bai Su Zi | 白苏子 |
| TCMH1117 | Rhizoma fagopyri cymosi | Jin Qiao Mai | 金荞麦 |
| TCMH1127 | Lonicera japonica | Jin Yin Hua | 金银花 |
| TCMH1128 | Lonicera japonica | Jin Yin Hua Ti Qu Ye | 金银花提取液 |
| TCMH1146 | Oryza sativa | Jing Mi | 粳米 |
Showing 1 to 10 of 158 entries
Ingredient ID: TCMC1123
Formula: C15H12O6
Ingredient ID: TCMC1123
| Common Name | Eriodictyol |
| IUPAC Name | (2S)-2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-2,3-dihydrochromen-4-one |
| Canonical SMILES | Oc1cc2O[C@@H](CC(=O)c2c(c1)O)c1ccc(c(c1)O)O |
| Standard InCHI | InChI=1S/C15H12O6/c16-8-4-11(19)15-12(20)6-13(21-14(15)5-8)7-1-2-9(17)10(18)3-7/h1-5,13,16-19H,6H2/t13-/m0/s1 |
| Standard InCHIKey | SBHXYTNGIZCORC-ZDUSSCGKSA-N |
| External Identifiers | ChEMBL [CHEMBL8996]; PubChem [440735]; |
| Reference of Component-Ingredient Pair | 22220589 |
Occurrence of the ingredient across TCM components
| Component ID | Latin Name | Pinyin Name | Chinese Name |
|---|---|---|---|
| TCMH1622 | Scutellaria baicalensis | Pian Qin | 片芩 |
| TCMH2005 | Geum japonicum | Shui Yang Mei | 水杨梅 |
| TCMH2006 | Geum japonicum | Shui Yang Mei Gen | 水杨梅根 |
| TCMH2353 | Lespedeza bicolor | Xue Ren Shen | 血人参 |
| TCMH2369 | Gleditsia sinensis | Ya Zao | 牙皂 |
| TCMH2569 | Gleditsia sinensis | Zao Jia | 皂荚 |
| TCMH2571 | Gleditsia sinensis | Zao Jiao Zhen | 皂角针 |
| TCMH26 | Eucalyptus globulus | An Ye | 按叶 |
| TCMH440 | Erigeron breviscapus | Deng Zhan Xi Xin | 灯盏细辛 |
| TCMH986 | Scutellaria baicalensis | Huang Qin | 黄芩 |
Showing 1 to 10 of 13 entries
Properties
| Ingredient ID | Formulae | Name | MW | AlogP | MlogP | XlogP | # HBA | # HBD | PSA | # Rotatable Bond | # Ring | # Heacy Atom | Lipinski RO5 Violation |
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| TCMC1123 | C15H12O6 | Eriodictyol | 288.06 | -2.2747 | 2.45 | 0.363 | 1 | 4 | 107.22 | 5 | 3 | 21 | 0 |
| TCMC1173 | C10H10O4 | Ferulic Acid | 194.06 | -0.3908 | 2.12 | 1.231 | 2 | 2 | 66.76 | 6 | 1 | 14 | 0 |
| TCMC1495 | C18H32O2 | Linoleic Acid | 280.24 | -0.9485 | 3.22 | 7.865 | 2 | 1 | 37.3 | 16 | 0 | 20 | 2 |
| TCMC1788 | C18H34O2 | Oleic Acid | 282.26 | -2.3427 | 3.22 | 8.192 | 2 | 1 | 37.3 | 17 | 0 | 20 | 2 |
| TCMC1798 | C16H12O5 | Oroxylin A | 284.07 | -1.476 | 2.67 | 2.719 | 1 | 2 | 75.99 | 5 | 3 | 21 | 0 |
| TCMC1901 | C15H14O2 | Pinosylvin Methyl Ether | 226.1 | -0.0443 | 2.89 | 5.973 | 0 | 1 | 29.46 | 5 | 2 | 17 | 1 |
| TCMC1965 | C21H20O9 | Puerarin | 416.11 | -3.823 | 2.78 | 0.4 | 6 | 6 | 156.91 | 9 | 4 | 30 | 1 |
| TCMC2054 | C15H10O6 | Scutellarein | 286.05 | -2.3448 | 2.45 | 1.462 | 1 | 4 | 107.22 | 5 | 3 | 21 | 0 |
| TCMC2055 | C21H18O12 | Scutellarin | 462.08 | -3.9895 | 2.45 | 0.082 | 7 | 7 | 203.44 | 11 | 4 | 33 | 1 |
| TCMC2138 | C16H12O4 | Techtochrysin | 268.07 | -1.0157 | 2.78 | 3.682 | 1 | 1 | 55.76 | 4 | 3 | 20 | 0 |
Showing 1 to 10 of 28 entries
Download Data
All data can be downloaded by:→ Selecting data type in the below download table
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