Description of the Component
Component ID |
TCMH2066 |
Latin Name |
Santalum album |
English Name |
Sandalwood |
Chinese Pinyin Name |
Tan Xiang |
中文名 |
檀香 |
TCM Properties |
Warm,Pungent |
TCM Meridians |
Spleen,Stomach,Kidney |
Therapeutic Class English |
Regulation of qi |
Therapeutic Class Chinese |
理气 |
Functions |
promote the flow of qi in the heart, warm the spleen and stomach, increse appetite, and relieve pain |
Toxicity |
NA |
Geo-authentic habitats (道地产区) |
Yunnan Province |
Reference |
Chinese Pharmacopoeia (2015) |
Barcode ID |
ITSAJ4584-14 |
Barcode Source |
BOLDSYSTEMS |
TCM Prescriptions with the Component
| Prescription ID | Prescription English Name | Prescription Chinese Name |
|---|---|---|
| TCMF1307 | Bawei Tanxiang Powder | 八味檀香散 |
| TCMF1326 | Bawei Qingxin Chenxiang Powder | 八味清心沉香散 |
| TCMF1384 | Shi'erwei Yishou Powder | 十二味翼首散 |
| TCMF1400 | Pinggan Shuluo Pills | 平肝舒络丸 |
| TCMF1407 | Shixiang Zhitong Pills | 十香止痛丸 |
| TCMF1424 | Muxiang Fenqi Pills | 木香分气丸 |
| TCMF1438 | Shixiang Fansheng Pills | 十香返生丸 |
| TCMF1445 | Ershiwuwei Zhenzhu Pills | 二十五味珍珠丸 |
| TCMF16 | Shi Wei Xiao Ke Capsule | 十味消渴胶囊 |
| TCMF1933 | Qi Mixing-Up Powder | 匀气散 |
Showing 1 to 10 of 109 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 |
| TCMT100 | TTR | Transthyretin | Unclassified | P02766 |
| 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 |
| TCMT107 | GRIK2 | Glutamate receptor ionotropic kainate 2 | Ion channel | Q13002 |
| TCMT108 | GRIA1 | Glutamate receptor ionotropic, AMPA 1 | Ion channel | P42261 |
| TCMT109 | GRIA2 | Glutamate receptor ionotropic, AMPA 2 | Ion channel | P42262 |
| TCMT11 | HIF1A | Hypoxia-inducible factor 1 alpha | Transcription factor | Q16665 |
| TCMT110 | GRIA4 | Glutamate receptor ionotropic, AMPA 4 | Ion channel | P48058 |
Showing 1 to 10 of 119 entries
Targeted Pathogenic Microbes by the Ingredient of Component
| Target ID | Target Name |
|---|---|
| TCMT1090 | Human immunodeficiency virus type 1 integrase |
| TCMT1092 | Fatty acid synthase |
| TCMT1093 | Enoyl-acyl-carrier protein reductase |
| TCMT1094 | 3-oxoacyl-acyl-carrier protein reductase |
| TCMT1099 | Neuraminidase |
| TCMT1107 | Protease |
| TCMT1121 | Sialidase |
| TCMT1178 | Actinomyces viscosus |
| TCMT1189 | Pseudomonas fluorescens |
| TCMT1212 | Verticillium dahliae |
Showing 1 to 10 of 34 entries
Ingredient Structrues
Ingredient ID: TCMC986
Formula: C5H6N2
Ingredient ID: TCMC986
| Common Name | Dalfampridine |
| IUPAC Name | pyridin-4-amine |
| Canonical SMILES | N=c1cc[nH]cc1 |
| Standard InCHI | InChI=1S/C5H6N2/c6-5-1-3-7-4-2-5/h1-4H,(H2,6,7) |
| Standard InCHIKey | NUKYPUAOHBNCPY-UHFFFAOYSA-N |
| External Identifiers | ChEMBL [CHEMBL284348]; PubChem [1727]; |
| Reference of Component-Ingredient Pair | 23118553 |
Occurrence of the ingredient across TCM components
Ingredient ID: TCMC985
Formula: C3H7NO2
Ingredient ID: TCMC985
| Common Name | D-Alanine |
| IUPAC Name | (2R)-2-azaniumylpropanoate |
| Canonical SMILES | C[C@H](C(=O)O)N |
| Standard InCHI | InChI=1S/C3H7NO2/c1-2(4)3(5)6/h2H,4H2,1H3,(H,5,6)/t2-/m1/s1 |
| Standard InCHIKey | QNAYBMKLOCPYGJ-UWTATZPHSA-N |
| External Identifiers | ChEMBL [CHEMBL66693]; PubChem [7311725]; |
| Reference of Component-Ingredient Pair | N/A |
Occurrence of the ingredient across TCM components
| Component ID | Latin Name | Pinyin Name | Chinese Name |
|---|---|---|---|
| TCMH1090 | Brassica juncea | Jie Zi | 芥子 |
| TCMH1223 | Tussilago farfara | Kuan Dong Hua | 款冬花 |
| TCMH1296 | Ganoderma lucidum | Ling Zhi Jin Gao | 灵芝浸膏 |
| TCMH1299 | Ganoderma lucidum | Ling Zhi(1) | 灵芝 |
| TCMH1343 | Aloe vera | Lu Hui | 芦荟 |
| TCMH1483 | Tussilago farfara | Mi Kuan Dong Hua | 蜜款冬花 |
| TCMH1632 | Taraxacum mongolicum | Pu Gong Ying | 蒲公英 |
| TCMH1633 | Taraxacum mongolicum | Pu Gong Ying Jin Gao | 蒲公英浸膏 |
| TCMH1734 | Homo sapiens | Ren Zhong Bai | 人中白 |
| TCMH197 | Bombyx mori | Can E | 蚕蛾 |
Showing 1 to 10 of 26 entries
Ingredient ID: TCMC924
Formula: C10H20O
Ingredient ID: TCMC924
| Common Name | Citronellol |
| IUPAC Name | 3,7-dimethyloct-6-en-1-ol |
| Canonical SMILES | OCCC(CCC=C(C)C)C |
| Standard InCHI | InChI=1S/C10H20O/c1-9(2)5-4-6-10(3)7-8-11/h5,10-11H,4,6-8H2,1-3H3 |
| Standard InCHIKey | QMVPMAAFGQKVCJ-UHFFFAOYSA-N |
| External Identifiers | ChEMBL [CHEMBL395827]; PubChem [8842]; |
| Reference of Component-Ingredient Pair | 27607409 |
Occurrence of the ingredient across TCM components
| Component ID | Latin Name | Pinyin Name | Chinese Name |
|---|---|---|---|
| TCMH1063 | Curcuma longa | Jiang Huang | 姜黄 |
| 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 |
| TCMH13 | Artemisia argyi | Ai Ye You | 艾叶油 |
| TCMH130 | Pinellia ternata | Ban Xia | 半夏 |
| TCMH131 | Pinellia ternata | Ban Xia Qu | 半夏曲 |
Showing 1 to 10 of 47 entries
Ingredient ID: TCMC919
Formula: C17H14O7
Ingredient ID: TCMC919
| Common Name | Cirsiliol |
| IUPAC Name | 2-(3,4-dihydroxyphenyl)-5-hydroxy-6,7-dimethoxychromen-4-one |
| Canonical SMILES | COc1cc2oc(cc(=O)c2c(c1OC)O)c1ccc(c(c1)O)O |
| Standard InCHI | InChI=1S/C17H14O7/c1-22-14-7-13-15(16(21)17(14)23-2)11(20)6-12(24-13)8-3-4-9(18)10(19)5-8/h3-7,18-19,21H,1-2H3 |
| Standard InCHIKey | IMEYGBIXGJLUIS-UHFFFAOYSA-N |
| External Identifiers | ChEMBL [CHEMBL72637]; PubChem [160237]; |
| Reference of Component-Ingredient Pair | N/A |
Occurrence of the ingredient across TCM components
| Component ID | Latin Name | Pinyin Name | Chinese Name |
|---|---|---|---|
| TCMH1846 | Artemisia capillaris | Shan Yin Chen | 山茵陈 |
| TCMH2066 | Santalum album | Tan Xiang | 檀香 |
| TCMH2154 | Artemisia capillaris | Tu Yin Chen Hao | 土茵陈蒿 |
| TCMH2452 | Chrysanthemum indicum | Ye Ju Hua | 野菊花 |
| TCMH2456 | Eupatorium lindleyanum | Ye Ma Zhui | 野马追 |
| TCMH2494 | Artemisia capillaris | Yin Chen Hao | 茵陈蒿 |
| TCMH2495 | Artemisia capillaris | Yin Chen Hao Gan Jin Gao | 茵陈蒿干浸膏 |
| TCMH25 | Styrax benzoin | An Xi Xiang | 安息香 |
Showing 1 to 8 of 8 entries
Ingredient ID: TCMC845
Formula: C15H24O
Ingredient ID: TCMC845
| Common Name | Butylated Hydroxytoluene |
| IUPAC Name | 2,6-ditert-butyl-4-methylphenol |
| Canonical SMILES | Cc1cc(c(c(c1)C(C)(C)C)O)C(C)(C)C |
| Standard InCHI | InChI=1S/C15H24O/c1-10-8-11(14(2,3)4)13(16)12(9-10)15(5,6)7/h8-9,16H,1-7H3 |
| Standard InCHIKey | NLZUEZXRPGMBCV-UHFFFAOYSA-N |
| External Identifiers | ChEMBL [CHEMBL146]; PubChem [31404]; |
| Reference of Component-Ingredient Pair | 24021950 |
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 |
| TCMH1175 | Cornus officinalis | Jiu Yu Rou | 酒萸肉 |
| TCMH12 | Artemisia argyi | Ai Ye | 艾叶 |
| TCMH120 | Atractylodes macrocephala | Bai Zhu | 白术 |
| TCMH1264 | Litchi chinensis | Li Zhi He | 荔枝核 |
| TCMH13 | Artemisia argyi | Ai Ye You | 艾叶油 |
| TCMH1331 | Rhaponticum uniflorum | Lou Lu | 漏芦 |
Showing 1 to 10 of 36 entries
Ingredient ID: TCMC787
Formula: C12H8O4
Ingredient ID: TCMC787
| Common Name | Bergapten |
| IUPAC Name | 4-methoxyfuro[3,2-g]chromen-7-one |
| Canonical SMILES | COc1c2ccc(=O)oc2cc2c1cco2 |
| Standard InCHI | InChI=1S/C12H8O4/c1-14-12-7-2-3-11(13)16-10(7)6-9-8(12)4-5-15-9/h2-6H,1H3 |
| Standard InCHIKey | BGEBZHIAGXMEMV-UHFFFAOYSA-N |
| External Identifiers | ChEMBL [CHEMBL24171]; PubChem [2355]; |
| Reference of Component-Ingredient Pair | 22407843 |
Occurrence of the ingredient across TCM components
| Component ID | Latin Name | Pinyin Name | Chinese Name |
|---|---|---|---|
| TCMH1179 | Citri exocarpium rubrum | Ju Hong | 橘红 |
| TCMH118 | Angelica dahurica | Bai Zhi | 白芷 |
| TCMH119 | Angelica dahurica | Bai Zhi Jin Gao Fen | 白芷浸膏粉 |
| TCMH1277 | Alpinia officinarum | Liang Jiang | 良姜 |
| TCMH1359 | Pyrola calliantha | Lu Xian Cao | 鹿衔草 |
| TCMH147 | Glehnia littoralis | Bei Sha Shen | 北沙参 |
| TCMH148 | Glehnia littoralis | Bei Sha Shen Liu Jin Gao | 北沙参流浸膏 |
| TCMH1499 | Changium smyrnioides | Ming Dang Shen | 明党参 |
| TCMH1656 | Angelica decursiva | Qian Hu | 前胡 |
| TCMH1782 | Ruta graveolens | San Ya Ku | 三桠苦 |
Showing 1 to 10 of 36 entries
Ingredient ID: TCMC734
Formula: C4H7NO4
Ingredient ID: TCMC734
| Common Name | Aspartic Acid |
| IUPAC Name | (2S)-2-aminobutanedioic acid |
| Canonical SMILES | OC(=O)C[C@@H](C(=O)O)N |
| Standard InCHI | InChI=1S/C4H7NO4/c5-2(4(8)9)1-3(6)7/h2H,1,5H2,(H,6,7)(H,8,9)/t2-/m0/s1 |
| Standard InCHIKey | CKLJMWTZIZZHCS-REOHCLBHSA-N |
| External Identifiers | ChEMBL [CHEMBL274323]; PubChem [5960]; |
| 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 |
| TCMH1090 | Brassica juncea | Jie Zi | 芥子 |
| TCMH1175 | Cornus officinalis | Jiu Yu Rou | 酒萸肉 |
| TCMH1223 | Tussilago farfara | Kuan Dong Hua | 款冬花 |
| TCMH1343 | Aloe vera | Lu Hui | 芦荟 |
| TCMH1483 | Tussilago farfara | Mi Kuan Dong Hua | 蜜款冬花 |
| TCMH1734 | Homo sapiens | Ren Zhong Bai | 人中白 |
| TCMH1862 | Cornus officinalis | Shan Zhu Yu | 山茱萸 |
| TCMH1920 | Acorus tatarinowii | Shi Chang Pu | 石菖蒲 |
Showing 1 to 10 of 25 entries
Ingredient ID: TCMC721
Formula: C6H14N4O2
Ingredient ID: TCMC721
| Common Name | Arginine |
| IUPAC Name | (2S)-2-amino-5-(diaminomethylideneazaniumyl)pentanoate |
| Canonical SMILES | NC(=N)NCCC[C@@H](C(=O)O)N |
| Standard InCHI | InChI=1S/C6H14N4O2/c7-4(5(11)12)2-1-3-10-6(8)9/h4H,1-3,7H2,(H,11,12)(H4,8,9,10)/t4-/m0/s1 |
| Standard InCHIKey | ODKSFYDXXFIFQN-BYPYZUCNSA-N |
| External Identifiers | ChEMBL [CHEMBL1485]; PubChem [28782]; |
| Reference of Component-Ingredient Pair | 19212411 |
Occurrence of the ingredient across TCM components
| Component ID | Latin Name | Pinyin Name | Chinese Name |
|---|---|---|---|
| TCMH1090 | Brassica juncea | Jie Zi | 芥子 |
| 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 |
| TCMH1734 | Homo sapiens | Ren Zhong Bai | 人中白 |
| TCMH2066 | Santalum album | Tan Xiang | 檀香 |
| 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 |
| TCMH2375 | Trigonella foenum-graecum | Yan Hu Lu Ba | 盐胡芦巴 |
| TCMH240 | Plantago depressa | Che Qian Cao | 车前草 |
Showing 1 to 10 of 19 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: TCMC7021
Formula: C15H24
Ingredient ID: TCMC7021
| Common Name | Α-Santalene |
| IUPAC Name | (2R,6R,7S)-1,7-dimethyl-7-(4-methylpent-3-enyl)tricyclo[2.2.1.02,6]heptane |
| Canonical SMILES | CC(=CCC[C@@]1(C)C2C[C@H]3C1(C)[C@@H]3C2)C |
| Standard InCHI | InChI=1S/C15H24/c1-10(2)6-5-7-14(3)11-8-12-13(9-11)15(12,14)4/h6,11-13H,5,7-9H2,1-4H3/t11?,12-,13-,14+,15?/m1/s1 |
| Standard InCHIKey | KWFJIXPIFLVMPM-VCNCWYJPSA-N |
| External Identifiers | ChEMBL [N/A]; PubChem [98071458]; |
| Reference of Component-Ingredient Pair | N/A |
Occurrence of the ingredient across TCM components
Ingredient ID: TCMC7020
Formula: C10H16O
Ingredient ID: TCMC7020
| Common Name | Teresantalol |
| IUPAC Name | [(1R,3S,6R)-2,3-dimethyl-3-tricyclo[2.2.1.02,6]heptanyl]methanol |
| Canonical SMILES | OC[C@@]1(C)C2C[C@H]3C1(C)[C@@H]3C2 |
| Standard InCHI | InChI=1S/C10H16O/c1-9(5-11)6-3-7-8(4-6)10(7,9)2/h6-8,11H,3-5H2,1-2H3/t6?,7-,8-,9+,10?/m1/s1 |
| Standard InCHIKey | ZWUWJJHLJNLVDD-ACQSPKOOSA-N |
| External Identifiers | ChEMBL [N/A]; PubChem [98060148]; |
| Reference of Component-Ingredient Pair | N/A |
Occurrence of the ingredient across TCM components
Ingredient ID: TCMC6572
Formula: C27H44O4
Ingredient ID: TCMC6572
| Common Name | 12-Epirockogenin |
| IUPAC Name | (1R,2S,4S,5'R,6R,7S,8R,9S,10S,12S,13S,16S,18S)-5',7,9,13-tetramethylspiro[5-oxapentacyclo[10.8.0.02,9.04,8.013,18]icosane-6,2'-oxane]-10,16-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[C@@H]3[C@]([C@H]1C[C@@H]2O)(C)CC[C@@H](C3)O)C |
| Standard InCHI | InChI=1S/C27H44O4/c1-15-7-10-27(30-14-15)16(2)24-22(31-27)12-21-19-6-5-17-11-18(28)8-9-25(17,3)20(19)13-23(29)26(21,24)4/h15-24,28-29H,5-14H2,1-4H3/t15-,16+,17+,18+,19-,20+,21+,22+,23+,24+,25+,26-,27-/m1/s1 |
| Standard InCHIKey | BQNMOLSYHYSCMS-SWSWMETBSA-N |
| External Identifiers | ChEMBL [N/A]; PubChem [22880132]; |
| Reference of Component-Ingredient Pair | US5703052 |
Occurrence of the ingredient across TCM components
Ingredient ID: TCMC6087
Formula: C15H22O
Ingredient ID: TCMC6087
| Common Name | Β-Santalal |
| IUPAC Name | (E)-2-methyl-5-[(1S,2R,4R)-2-methyl-3-methylidene-2-bicyclo[2.2.1]heptanyl]pent-2-enal |
| Canonical SMILES | O=C/C(=C/CC[C@]1(C)[C@H]2CC[C@@H](C1=C)C2)/C |
| Standard InCHI | InChI=1S/C15H22O/c1-11(10-16)5-4-8-15(3)12(2)13-6-7-14(15)9-13/h5,10,13-14H,2,4,6-9H2,1,3H3/b11-5+/t13-,14+,15+/m1/s1 |
| Standard InCHIKey | YFOIGZMLDYUPOI-BFONTGBQSA-N |
| External Identifiers | ChEMBL [N/A]; PubChem [14059045]; |
| Reference of Component-Ingredient Pair | US8822733 |
Occurrence of the ingredient across TCM components
Ingredient ID: TCMC5758
Formula: C15H22O2
Ingredient ID: TCMC5758
| Common Name | Β-Santalic Acid |
| IUPAC Name | (E)-2-methyl-5-[(1S,2R,4R)-2-methyl-3-methylidene-2-bicyclo[2.2.1]heptanyl]pent-2-enoic acid |
| Canonical SMILES | [O-]C(=O)/C(=C/CC[C@]1(C)[C@H]2CC[C@@H](C1=C)C2)/C |
| Standard InCHI | InChI=1S/C15H22O2/c1-10(14(16)17)5-4-8-15(3)11(2)12-6-7-13(15)9-12/h5,12-13H,2,4,6-9H2,1,3H3,(H,16,17)/p-1/b10-5+/t12-,13+,15+/m1/s1 |
| Standard InCHIKey | PMCPDNGTLRPFQQ-MEPYFGFUSA-M |
| External Identifiers | ChEMBL [N/A]; PubChem [11673107]; |
| Reference of Component-Ingredient Pair | N/A |
Occurrence of the ingredient across TCM components
Ingredient ID: TCMC5706
Formula: C9H14
Ingredient ID: TCMC5706
| Common Name | Santene |
| IUPAC Name | (1S,4R)-2,3-dimethylbicyclo[2.2.1]hept-2-ene |
| Canonical SMILES | CC1=C(C)[C@@H]2C[C@H]1CC2 |
| Standard InCHI | InChI=1S/C9H14/c1-6-7(2)9-4-3-8(6)5-9/h8-9H,3-5H2,1-2H3/t8-,9+ |
| Standard InCHIKey | LSIXBBPOJBJQHN-DTORHVGOSA-N |
| External Identifiers | ChEMBL [N/A]; PubChem [11457687]; |
| Reference of Component-Ingredient Pair | N/A |
Occurrence of the ingredient across TCM components
Ingredient ID: TCMC5690
Formula: C20H22O8
Ingredient ID: TCMC5690
| Common Name | Cpb-53-641-1 |
| IUPAC Name | 5-[(2S,3S)-3-(hydroxymethyl)-7-[(E)-3-hydroxyprop-1-enyl]-5-methoxy-2,3-dihydro-1,4-benzodioxin-2-yl]-3-methoxybenzene-1,2-diol |
| Canonical SMILES | OC/C=C/c1cc2O[C@H]([C@@H](Oc2c(c1)OC)CO)c1cc(O)c(c(c1)OC)O |
| Standard InCHI | InChI=1S/C20H22O8/c1-25-14-9-12(8-13(23)18(14)24)19-17(10-22)28-20-15(26-2)6-11(4-3-5-21)7-16(20)27-19/h3-4,6-9,17,19,21-24H,5,10H2,1-2H3/b4-3+/t17-,19-/m0/s1 |
| Standard InCHIKey | GJTCFMOIDDENBS-PABLAQFASA-N |
| External Identifiers | ChEMBL [N/A]; PubChem [11417897]; |
| Reference of Component-Ingredient Pair | N/A |
Occurrence of the ingredient across TCM components
Ingredient ID: TCMC5632
Formula: C19H22O6
Ingredient ID: TCMC5632
| Common Name | (7S,8R)-Dihydro-3'-Hydroxy-8-Hydroxy-Methyl-7-(4-Hydroxy-3-Methoxyphenyl)-1'-Benzofuranpropanol |
| IUPAC Name | (2S,3R)-2-(4-hydroxy-3-methoxyphenyl)-3-(hydroxymethyl)-5-(3-hydroxypropyl)-2,3-dihydro-1-benzofuran-7-ol |
| Canonical SMILES | OCCCc1cc2c(c(c1)O)O[C@@H]([C@H]2CO)c1ccc(c(c1)OC)O |
| Standard InCHI | InChI=1S/C19H22O6/c1-24-17-9-12(4-5-15(17)22)18-14(10-21)13-7-11(3-2-6-20)8-16(23)19(13)25-18/h4-5,7-9,14,18,20-23H,2-3,6,10H2,1H3/t14-,18+/m0/s1 |
| Standard InCHIKey | PKORXOLYTWDULG-KBXCAEBGSA-N |
| External Identifiers | ChEMBL [CHEMBL3358859]; PubChem [11210164]; |
| Reference of Component-Ingredient Pair | 12567777 |
Occurrence of the ingredient across TCM components
Ingredient ID: TCMC5622
Formula: C21H24O8
Ingredient ID: TCMC5622
| Common Name | 7S,8S-Nitidanin |
| IUPAC Name | 4-[(2S,3S)-3-(hydroxymethyl)-7-[(E)-3-hydroxyprop-1-enyl]-5-methoxy-2,3-dihydro-1,4-benzodioxin-2-yl]-2,6-dimethoxyphenol |
| Canonical SMILES | OC/C=C/c1cc2O[C@H]([C@@H](Oc2c(c1)OC)CO)c1cc(OC)c(c(c1)OC)O |
| Standard InCHI | InChI=1S/C21H24O8/c1-25-14-9-13(10-15(26-2)19(14)24)20-18(11-23)29-21-16(27-3)7-12(5-4-6-22)8-17(21)28-20/h4-5,7-10,18,20,22-24H,6,11H2,1-3H3/b5-4+/t18-,20-/m0/s1 |
| Standard InCHIKey | AZTAGXIJLPKJOR-BJUCQYRTSA-N |
| External Identifiers | ChEMBL [CHEMBL479693]; PubChem [11188887]; |
| Reference of Component-Ingredient Pair | 15742805 |
Occurrence of the ingredient across TCM components
Ingredient ID: TCMC5518
Formula: C15H24
Ingredient ID: TCMC5518
| Common Name | Β-Santalene |
| IUPAC Name | (1S,2R,4R)-2-methyl-3-methylidene-2-(4-methylpent-3-enyl)bicyclo[2.2.1]heptane |
| Canonical SMILES | CC(=CCC[C@]1(C)[C@H]2CC[C@@H](C1=C)C2)C |
| Standard InCHI | InChI=1S/C15H24/c1-11(2)6-5-9-15(4)12(3)13-7-8-14(15)10-13/h6,13-14H,3,5,7-10H2,1-2,4H3/t13-,14+,15+/m1/s1 |
| Standard InCHIKey | PGBNIHXXFQBCPU-ILXRZTDVSA-N |
| External Identifiers | ChEMBL [N/A]; PubChem [10889018]; |
| Reference of Component-Ingredient Pair | 28480740 |
Occurrence of the ingredient across TCM components
Ingredient ID: TCMC5168
Formula: C15H24O
Ingredient ID: TCMC5168
| Common Name | Β-Santalol |
| IUPAC Name | (Z)-2-methyl-5-[(1S,2R,4R)-2-methyl-3-methylidene-2-bicyclo[2.2.1]heptanyl]pent-2-en-1-ol |
| Canonical SMILES | OC/C(=CCC[C@]1(C)[C@H]2CC[C@@H](C1=C)C2)/C |
| Standard InCHI | InChI=1S/C15H24O/c1-11(10-16)5-4-8-15(3)12(2)13-6-7-14(15)9-13/h5,13-14,16H,2,4,6-10H2,1,3H3/b11-5-/t13-,14+,15+/m1/s1 |
| Standard InCHIKey | OJYKYCDSGQGTRJ-GQYWAMEOSA-N |
| External Identifiers | ChEMBL [CHEMBL3586094]; PubChem [6857681]; |
| Reference of Component-Ingredient Pair | 29289243 |
Occurrence of the ingredient across TCM components
Ingredient ID: TCMC4556
Formula: C15H24
Ingredient ID: TCMC4556
| Common Name | Β-Farnesene |
| IUPAC Name | (6Z)-7,11-dimethyl-3-methylidenedodeca-1,6,10-triene |
| Canonical SMILES | C=CC(=C)CC/C=C(CCC=C(C)C)/C |
| Standard InCHI | InChI=1S/C15H24/c1-6-14(4)10-8-12-15(5)11-7-9-13(2)3/h6,9,12H,1,4,7-8,10-11H2,2-3,5H3/b15-12- |
| Standard InCHIKey | JSNRRGGBADWTMC-QINSGFPZSA-N |
| External Identifiers | ChEMBL [N/A]; PubChem [5317319]; |
| Reference of Component-Ingredient Pair | N/A |
Occurrence of the ingredient across TCM components
Ingredient ID: TCMC4501
Formula: C15H22O
Ingredient ID: TCMC4501
| Common Name | Dendrolasin |
| IUPAC Name | 3-[(3E)-4,8-dimethylnona-3,7-dienyl]furan |
| Canonical SMILES | C/C(=CCCc1cocc1)/CCC=C(C)C |
| Standard InCHI | InChI=1S/C15H22O/c1-13(2)6-4-7-14(3)8-5-9-15-10-11-16-12-15/h6,8,10-12H,4-5,7,9H2,1-3H3/b14-8+ |
| Standard InCHIKey | LZBXPXAOYQVZEC-RIYZIHGNSA-N |
| External Identifiers | ChEMBL [N/A]; PubChem [5316534]; |
| Reference of Component-Ingredient Pair | 11950369 |
Occurrence of the ingredient across TCM components
Ingredient ID: TCMC3304
Formula: C11H14O4
Ingredient ID: TCMC3304
| Common Name | Diethylene Glycol Monobenzoate |
| IUPAC Name | 2-(2-hydroxyethoxy)ethyl benzoate |
| Canonical SMILES | OCCOCCOC(=O)c1ccccc1 |
| Standard InCHI | InChI=1S/C11H14O4/c12-6-7-14-8-9-15-11(13)10-4-2-1-3-5-10/h1-5,12H,6-9H2 |
| Standard InCHIKey | DNUPYEDSAQDUSO-UHFFFAOYSA-N |
| External Identifiers | ChEMBL [N/A]; PubChem [88603]; |
| Reference of Component-Ingredient Pair | 22222838 |
Occurrence of the ingredient across TCM components
Ingredient ID: TCMC2840
Formula: C8H21N3
Ingredient ID: TCMC2840
| Common Name | Sym-Homospermidine |
| IUPAC Name | N'-(4-aminobutyl)butane-1,4-diamine |
| Canonical SMILES | [NH3+]CCCC[NH2+]CCCC[NH3+] |
| Standard InCHI | InChI=1S/C8H21N3/c9-5-1-3-7-11-8-4-2-6-10/h11H,1-10H2/p+3 |
| Standard InCHIKey | UODZHRGDSPLRMD-UHFFFAOYSA-Q |
| External Identifiers | ChEMBL [CHEMBL36119]; PubChem [368]; |
| Reference of Component-Ingredient Pair | 21873513 |
Occurrence of the ingredient across TCM components
Ingredient ID: TCMC2768
Formula: C15H24O
Ingredient ID: TCMC2768
| Common Name | Alpha-Santalol |
| IUPAC Name | (Z)-5-[(1R,3R,6S)-2,3-dimethyl-4,5,6,7-tetrahydro-1H-tricyclo[2.2.1.0^{2,6}]heptan-3-yl]-2-methylpent-2-en-1-ol |
| Canonical SMILES | OC/C(=CCC[C@]1(C)C2C[C@@H]3C1(C)[C@@H]3C2)/C |
| Standard InCHI | InChI=1S/C15H24O/c1-10(9-16)5-4-6-14(2)11-7-12-13(8-11)15(12,14)3/h5,11-13,16H,4,6-9H2,1-3H3/b10-5-/t11?,12-,13+,14-,15?/m1/s1 |
| Standard InCHIKey | PDEQKAVEYSOLJX-RQGDDBKYSA-N |
| External Identifiers | ChEMBL [CHEMBL512210]; PubChem [11085337]; |
| Reference of Component-Ingredient Pair | N/A |
Occurrence of the ingredient across TCM components
Ingredient ID: TCMC2731
Formula: C15H24O
Ingredient ID: TCMC2731
| Common Name | (Z)-Beta-Santalol |
| IUPAC Name | (Z)-2-methyl-5-[(1S,3R,4R)-3-methyl-2-methylidene-3-bicyclo[2.2.1]heptanyl]pent-2-en-1-ol |
| Canonical SMILES | OC/C(=CCC[C@]1(C)[C@@H]2CC[C@H](C1=C)C2)/C |
| Standard InCHI | InChI=1S/C15H24O/c1-11(10-16)5-4-8-15(3)12(2)13-6-7-14(15)9-13/h5,13-14,16H,2,4,6-10H2,1,3H3/b11-5-/t13-,14+,15-/m0/s1 |
| Standard InCHIKey | OJYKYCDSGQGTRJ-UGJHJVKRSA-N |
| External Identifiers | ChEMBL [CHEMBL459110]; PubChem [11031396]; |
| Reference of Component-Ingredient Pair | N/A |
Occurrence of the ingredient across TCM components
Ingredient ID: TCMC2594
Formula: C6H13NO2
Ingredient ID: TCMC2594
| Common Name | Leucine |
| IUPAC Name | (2S)-2-azaniumyl-4-methylpentanoate |
| Canonical SMILES | N[C@H](C(=O)O)CC(C)C |
| Standard InCHI | InChI=1S/C6H13NO2/c1-4(2)3-5(7)6(8)9/h4-5H,3,7H2,1-2H3,(H,8,9)/t5-/m0/s1 |
| Standard InCHIKey | ROHFNLRQFUQHCH-YFKPBYRVSA-N |
| External Identifiers | ChEMBL [CHEMBL291962]; PubChem [7045798;6106]; |
| 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 |
| TCMH1090 | Brassica juncea | Jie Zi | 芥子 |
| TCMH1223 | Tussilago farfara | Kuan Dong Hua | 款冬花 |
| TCMH1483 | Tussilago farfara | Mi Kuan Dong Hua | 蜜款冬花 |
| TCMH1734 | Homo sapiens | Ren Zhong Bai | 人中白 |
| TCMH2066 | Santalum album | Tan Xiang | 檀香 |
| TCMH2137 | Pogostemon cablin | Tu Huo Xiang | 土藿香 |
| TCMH2710 | Homo sapiens | Zi He Che | 紫河车 |
| TCMH312 | Sedum sarmentosum | Chui Pen Cao | 垂盆草 |
Showing 1 to 10 of 19 entries
Ingredient ID: TCMC2590
Formula: C15H24O
Ingredient ID: TCMC2590
| Common Name | (Z)-Lanceol |
| IUPAC Name | (2E)-2-methyl-6-[(1S)-4-methylcyclohex-3-en-1-yl]hepta-2,6-dien-1-ol |
| Canonical SMILES | OC/C(=C/CCC(=C)[C@H]1CCC(=CC1)C)/C |
| Standard InCHI | InChI=1S/C15H24O/c1-12-7-9-15(10-8-12)14(3)6-4-5-13(2)11-16/h5,7,15-16H,3-4,6,8-11H2,1-2H3/b13-5+/t15-/m1/s1 |
| Standard InCHIKey | HBVOEGGRCJCMLG-DTHCKZEYSA-N |
| External Identifiers | ChEMBL [CHEMBL443875]; PubChem [15560069]; |
| Reference of Component-Ingredient Pair | N/A |
Occurrence of the ingredient across TCM components
Ingredient ID: TCMC2497
Formula: C15H20O3
Ingredient ID: TCMC2497
| Common Name | Santamarin |
| IUPAC Name | (3aS,5aR,6R,9aS,9bS)-6-hydroxy-5a,9-dimethyl-3-methylidene-4,5,6,7,9a,9b-hexahydro-3aH-benzo[g][1]benzofuran-2-one |
| Canonical SMILES | CC1=CC[C@H]([C@]2([C@H]1[C@H]1OC(=O)C(=C)[C@@H]1CC2)C)O |
| Standard InCHI | InChI=1S/C15H20O3/c1-8-4-5-11(16)15(3)7-6-10-9(2)14(17)18-13(10)12(8)15/h4,10-13,16H,2,5-7H2,1,3H3/t10-,11+,12+,13-,15-/m0/s1 |
| Standard InCHIKey | PLSSEPIRACGCBO-PFFFPCNUSA-N |
| External Identifiers | ChEMBL [CHEMBL89311]; PubChem [188297]; |
| Reference of Component-Ingredient Pair | 11731906 |
Occurrence of the ingredient across TCM components
Ingredient ID: TCMC2408
Formula: C5H11NO2
Ingredient ID: TCMC2408
| Common Name | Valine |
| IUPAC Name | (2S)-2-azaniumyl-3-methylbutanoate |
| Canonical SMILES | N[C@H](C(=O)O)C(C)C |
| Standard InCHI | InChI=1S/C5H11NO2/c1-3(2)4(6)5(7)8/h3-4H,6H2,1-2H3,(H,7,8)/t4-/m0/s1 |
| Standard InCHIKey | KZSNJWFQEVHDMF-BYPYZUCNSA-N |
| External Identifiers | ChEMBL [CHEMBL43068]; PubChem [6971018;6287;8873350]; |
| 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 |
| TCMH1090 | Brassica juncea | Jie Zi | 芥子 |
| TCMH1223 | Tussilago farfara | Kuan Dong Hua | 款冬花 |
| TCMH1343 | Aloe vera | Lu Hui | 芦荟 |
| TCMH1483 | Tussilago farfara | Mi Kuan Dong Hua | 蜜款冬花 |
| TCMH1632 | Taraxacum mongolicum | Pu Gong Ying | 蒲公英 |
| TCMH1633 | Taraxacum mongolicum | Pu Gong Ying Jin Gao | 蒲公英浸膏 |
| TCMH1734 | Homo sapiens | Ren Zhong Bai | 人中白 |
| TCMH2066 | Santalum album | Tan Xiang | 檀香 |
Showing 1 to 10 of 23 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: TCMC2233
Formula: C21H20O10
Ingredient ID: TCMC2233
| Common Name | Vitexin |
| IUPAC Name | 5,7-dihydroxy-2-(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)cc(c2c1oc(cc2=O)c1ccc(cc1)O)O |
| Standard InCHI | InChI=1S/C21H20O10/c22-7-14-17(27)18(28)19(29)21(31-14)16-11(25)5-10(24)15-12(26)6-13(30-20(15)16)8-1-3-9(23)4-2-8/h1-6,14,17-19,21-25,27-29H,7H2/t14-,17-,18+,19-,21+/m1/s1 |
| Standard InCHIKey | SGEWCQFRYRRZDC-VPRICQMDSA-N |
| External Identifiers | ChEMBL [CHEMBL487417]; PubChem [5280441]; |
| Reference of Component-Ingredient Pair | 22475010 |
Occurrence of the ingredient across TCM components
| Component ID | Latin Name | Pinyin Name | Chinese Name |
|---|---|---|---|
| TCMH1005 | Cannabis sativa | Huo Ma Ren | 火麻仁 |
| TCMH1039 | Kummerowia striata | Ji Yan Cao | 鸡眼草 |
| TCMH1073 | Gynostemma pentaphyllum | Jiao Gu Lan | 绞股蓝 |
| 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 |
| TCMH1431 | Vitex trifolia | Man Jing Ye | 蔓荆叶 |
| TCMH1432 | Vitex trifolia | Man Jing Zi | 蔓荆子 |
Showing 1 to 10 of 54 entries
Ingredient ID: TCMC2230
Formula: C27H30O15
Ingredient ID: TCMC2230
| Common Name | Vicenin-2 |
| IUPAC Name | 5,7-dihydroxy-2-(4-hydroxyphenyl)-6,8-bis[(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)c([C@@H]2O[C@H](CO)[C@H]([C@@H]([C@H]2O)O)O)c(c2c1oc(cc2=O)c1ccc(cc1)O)O |
| Standard InCHI | InChI=1S/C27H30O15/c28-6-12-17(32)21(36)23(38)26(41-12)15-19(34)14-10(31)5-11(8-1-3-9(30)4-2-8)40-25(14)16(20(15)35)27-24(39)22(37)18(33)13(7-29)42-27/h1-5,12-13,17-18,21-24,26-30,32-39H,6-7H2/t12-,13-,17-,18-,21+,22+,23-,24-,26+,27+/m1/s1 |
| Standard InCHIKey | FIAAVMJLAGNUKW-VQVVXJKKSA-N |
| External Identifiers | ChEMBL [CHEMBL1442950]; PubChem [442664]; |
| Reference of Component-Ingredient Pair | N/A |
Occurrence of the ingredient across TCM components
| Component ID | Latin Name | Pinyin Name | Chinese Name |
|---|---|---|---|
| TCMH108 | Perilla frutescens | Bai Su Zi | 白苏子 |
| TCMH1396 | Portulaca oleracea | Ma Chi Xian | 马齿苋 |
| TCMH1475 | Glycyrrhiza uralensis | Mi Gan Cao | 蜜甘草 |
| TCMH1899 | Glycyrrhiza uralensis | Sheng Gan Cao | 生甘草 |
| TCMH1987 | Silybum marianum | Shui Fei Ji | 水飞蓟 |
| TCMH2066 | Santalum album | Tan Xiang | 檀香 |
| TCMH2135 | Glycyrrhiza uralensis | Tu Gan Cao | 土甘草 |
| TCMH2213 | Ipomoea cairica | Wu Zhao Long | 五爪龙 |
| TCMH2300 | Triticum aestivum | Xiao Mai | 小麦 |
| TCMH2306 | Buxus microphylla | Xiao Ye Huang Yang | 小叶黄杨 |
Showing 1 to 10 of 23 entries
Ingredient ID: TCMC2223
Formula: C8H8O3
Ingredient ID: TCMC2223
| Common Name | Vanillin |
| IUPAC Name | 4-hydroxy-3-methoxybenzaldehyde |
| Canonical SMILES | COc1cc(C=O)ccc1O |
| Standard InCHI | InChI=1S/C8H8O3/c1-11-8-4-6(5-9)2-3-7(8)10/h2-5,10H,1H3 |
| Standard InCHIKey | MWOOGOJBHIARFG-UHFFFAOYSA-N |
| External Identifiers | ChEMBL [CHEMBL13883]; PubChem [1183]; |
| Reference of Component-Ingredient Pair | 22980836 |
Occurrence of the ingredient across TCM components
| Component ID | Latin Name | Pinyin Name | Chinese Name |
|---|---|---|---|
| TCMH1005 | Cannabis sativa | Huo Ma Ren | 火麻仁 |
| TCMH1063 | Curcuma longa | Jiang Huang | 姜黄 |
| TCMH1150 | Gynura segetum | Jing Tian San Qi | 景天三七 |
| TCMH1175 | Cornus officinalis | Jiu Yu Rou | 酒萸肉 |
| TCMH1178 | Citrus reticulata | Ju He | 橘核 |
| TCMH1184 | Citrus reticulata | Ju Pi | 橘皮 |
| TCMH1211 | Melia azedarach | Ku Lian Pi | 苦楝皮 |
| TCMH1212 | Melia azedarach | Ku Lian Zi | 苦楝子 |
| TCMH1409 | Cannabis sativa | Ma Ren | 麻仁 |
| TCMH143 | Albizia julibrissin | Bei He Huan | 北合欢 |
Showing 1 to 10 of 80 entries
Ingredient ID: TCMC2222
Formula: C8H8O4
Ingredient ID: TCMC2222
| Common Name | Vanillic Acid |
| IUPAC Name | 4-hydroxy-3-methoxybenzoic acid |
| Canonical SMILES | COc1cc(ccc1O)C(=O)O |
| Standard InCHI | InChI=1S/C8H8O4/c1-12-7-4-5(8(10)11)2-3-6(7)9/h2-4,9H,1H3,(H,10,11) |
| Standard InCHIKey | WKOLLVMJNQIZCI-UHFFFAOYSA-N |
| External Identifiers | ChEMBL [CHEMBL120568]; PubChem [8468]; |
| Reference of Component-Ingredient Pair | 23800587 |
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 |
| TCMH1064 | Coptis chinensis | Jiang Huang Lian | 姜黄连 |
| TCMH108 | Perilla frutescens | Bai Su Zi | 白苏子 |
| TCMH1086 | Sambucus williamsii | Jie Gu Mu | 接骨木 |
| TCMH1105 | Trollius chinensis | Jin Lian Hua | 金莲花 |
| TCMH1127 | Lonicera japonica | Jin Yin Hua | 金银花 |
| TCMH1128 | Lonicera japonica | Jin Yin Hua Ti Qu Ye | 金银花提取液 |
Showing 1 to 10 of 168 entries
Ingredient ID: TCMC2200
Formula: C9H11NO3
Ingredient ID: TCMC2200
| Common Name | Tyrosine |
| IUPAC Name | (2S)-2-amino-3-(4-hydroxyphenyl)propanoic acid |
| Canonical SMILES | OC(=O)[C@H](Cc1ccc(cc1)O)N |
| Standard InCHI | InChI=1S/C9H11NO3/c10-8(9(12)13)5-6-1-3-7(11)4-2-6/h1-4,8,11H,5,10H2,(H,12,13)/t8-/m0/s1 |
| Standard InCHIKey | OUYCCCASQSFEME-QMMMGPOBSA-N |
| External Identifiers | ChEMBL [CHEMBL925]; PubChem [6057]; |
| Reference of Component-Ingredient Pair | N/A |
Occurrence of the ingredient across TCM components
| Component ID | Latin Name | Pinyin Name | Chinese Name |
|---|---|---|---|
| TCMH1090 | Brassica juncea | Jie Zi | 芥子 |
| TCMH1155 | Allium tuberosum | Jiu Cai | 韭菜 |
| TCMH1176 | Allium tuberosum | Jiu Zi | 韭子 |
| TCMH1197 | Selaginella tamariscina | Juan Bai | 卷柏 |
| TCMH1294 | Cornu saigae tataricae | Ling Yang Jiao | 羚羊角 |
| 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 |
| TCMH1677 | Pinellia ternata | Qing Ban Xia | 清半夏 |
Showing 1 to 10 of 29 entries
Ingredient ID: TCMC2171
Formula: C7H8
Ingredient ID: TCMC2171
| Common Name | Toluene |
| IUPAC Name | toluene |
| Canonical SMILES | Cc1ccccc1 |
| Standard InCHI | InChI=1S/C7H8/c1-7-5-3-2-4-6-7/h2-6H,1H3 |
| Standard InCHIKey | YXFVVABEGXRONW-UHFFFAOYSA-N |
| External Identifiers | ChEMBL [CHEMBL9113]; PubChem [1140]; |
| Reference of Component-Ingredient Pair | 29698619 |
Occurrence of the ingredient across TCM components
| Component ID | Latin Name | Pinyin Name | Chinese Name |
|---|---|---|---|
| TCMH1063 | Curcuma longa | Jiang Huang | 姜黄 |
| TCMH114 | Platycladus orientalis | Bai Ye | 柏叶 |
| TCMH12 | Artemisia argyi | Ai Ye | 艾叶 |
| TCMH120 | Atractylodes macrocephala | Bai Zhu | 白术 |
| TCMH13 | Artemisia argyi | Ai Ye You | 艾叶油 |
| TCMH1721 | Panax ginseng | Ren Shen | 人参 |
| TCMH1728 | Panax ginseng | Ren Shen Ye | 人参叶 |
| TCMH1734 | Homo sapiens | Ren Zhong Bai | 人中白 |
| TCMH1803 | Amomum villosum | Sha Ren | 砂仁 |
| TCMH1804 | Amomum villosum | Sha Ren Ye | 砂仁叶 |
Showing 1 to 10 of 21 entries
Ingredient ID: TCMC2062
Formula: C3H7NO3
Ingredient ID: TCMC2062
| Common Name | Serine |
| IUPAC Name | (2S)-2-azaniumyl-3-hydroxypropanoate |
| Canonical SMILES | OC[C@@H](C(=O)O)N |
| Standard InCHI | InChI=1S/C3H7NO3/c4-2(1-5)3(6)7/h2,5H,1,4H2,(H,6,7)/t2-/m0/s1 |
| Standard InCHIKey | MTCFGRXMJLQNBG-REOHCLBHSA-N |
| External Identifiers | ChEMBL [CHEMBL11298]; PubChem [6857581]; |
| Reference of Component-Ingredient Pair | 21979954 |
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 |
| TCMH1090 | Brassica juncea | Jie Zi | 芥子 |
| TCMH1175 | Cornus officinalis | Jiu Yu Rou | 酒萸肉 |
| TCMH1294 | Cornu saigae tataricae | Ling Yang Jiao | 羚羊角 |
| TCMH130 | Pinellia ternata | Ban Xia | 半夏 |
| TCMH131 | Pinellia ternata | Ban Xia Qu | 半夏曲 |
| TCMH1677 | Pinellia ternata | Qing Ban Xia | 清半夏 |
| TCMH1734 | Homo sapiens | Ren Zhong Bai | 人中白 |
| TCMH1740 | Cistanche deserticola | Rou Cong Rong | 肉苁蓉 |
Showing 1 to 10 of 28 entries
Ingredient ID: TCMC1830
Formula: C16H32O2
Ingredient ID: TCMC1830
| Common Name | Palmitic Acid |
| IUPAC Name | hexadecanoic acid |
| Canonical SMILES | CCCCCCCCCCCCCCCC(=O)O |
| Standard InCHI | InChI=1S/C16H32O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16(17)18/h2-15H2,1H3,(H,17,18) |
| Standard InCHIKey | IPCSVZSSVZVIGE-UHFFFAOYSA-N |
| External Identifiers | ChEMBL [CHEMBL82293]; PubChem [985]; |
| Reference of Component-Ingredient Pair | 29968805 |
Occurrence of the ingredient across TCM components
| Component ID | Latin Name | Pinyin Name | Chinese Name |
|---|---|---|---|
| TCMH1000 | Foeniculum vulgare | Hui Xiang | 茴香 |
| TCMH1005 | Cannabis sativa | Huo Ma Ren | 火麻仁 |
| TCMH1008 | Pogostemon cablin | Huo Xiang | 藿香 |
| TCMH1009 | Pogostemon cablin | Huo Xiang Ye | 藿香叶 |
| TCMH1022 | Celosia cristata | Ji Guan Hua | 鸡冠花 |
| TCMH1029 | Paederia scandens | Ji Shi Teng | 鸡矢藤 |
| TCMH1033 | Centella asiatica | Ji Xue Cao | 积雪草 |
| TCMH1063 | Curcuma longa | Jiang Huang | 姜黄 |
| TCMH108 | Perilla frutescens | Bai Su Zi | 白苏子 |
| TCMH1105 | Trollius chinensis | Jin Lian Hua | 金莲花 |
Showing 1 to 10 of 274 entries
Ingredient ID: TCMC1796
Formula: C15H10O6
Ingredient ID: TCMC1796
| Common Name | Orobol |
| IUPAC Name | 3-(3,4-dihydroxyphenyl)-5,7-dihydroxychromen-4-one |
| Canonical SMILES | Oc1cc(O)c2c(c1)occ(c2=O)c1ccc(c(c1)O)O |
| Standard InCHI | InChI=1S/C15H10O6/c16-8-4-12(19)14-13(5-8)21-6-9(15(14)20)7-1-2-10(17)11(18)3-7/h1-6,16-19H |
| Standard InCHIKey | IOYHCQBYQJQBSK-UHFFFAOYSA-N |
| External Identifiers | ChEMBL [CHEMBL241609]; PubChem [5281801]; |
| Reference of Component-Ingredient Pair | 19685745 |
Occurrence of the ingredient across TCM components
| Component ID | Latin Name | Pinyin Name | Chinese Name |
|---|---|---|---|
| TCMH1068 | Dalbergia odorifera | Jiang Xiang | 降香 |
| TCMH108 | Perilla frutescens | Bai Su Zi | 白苏子 |
| TCMH1475 | Glycyrrhiza uralensis | Mi Gan Cao | 蜜甘草 |
| TCMH1899 | Glycyrrhiza uralensis | Sheng Gan Cao | 生甘草 |
| TCMH2066 | Santalum album | Tan Xiang | 檀香 |
| TCMH2135 | Glycyrrhiza uralensis | Tu Gan Cao | 土甘草 |
| TCMH407 | Salvia miltiorrhiza | Dan Shen | 丹参 |
| TCMH408 | Salvia miltiorrhiza | Dan Shen Gan Jin Gao | 丹参干浸膏 |
| TCMH409 | Salvia miltiorrhiza | Dan Shen Jin Gao | 丹参浸膏 |
| TCMH494 | Cordyceps sinensis | Dong Chong Xia Cao | 冬虫夏草 |
Showing 1 to 10 of 20 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: 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: TCMC1611
Formula: C14H28O2
Ingredient ID: TCMC1611
| Common Name | Myristic Acid |
| IUPAC Name | tetradecanoic acid |
| Canonical SMILES | CCCCCCCCCCCCCC(=O)O |
| Standard InCHI | InChI=1S/C14H28O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14(15)16/h2-13H2,1H3,(H,15,16) |
| Standard InCHIKey | TUNFSRHWOTWDNC-UHFFFAOYSA-N |
| External Identifiers | ChEMBL [CHEMBL111077]; PubChem [11005]; |
| Reference of Component-Ingredient Pair | 29968805 |
Occurrence of the ingredient across TCM components
| Component ID | Latin Name | Pinyin Name | Chinese Name |
|---|---|---|---|
| TCMH1005 | Cannabis sativa | Huo Ma Ren | 火麻仁 |
| TCMH1029 | Paederia scandens | Ji Shi Teng | 鸡矢藤 |
| TCMH1063 | Curcuma longa | Jiang Huang | 姜黄 |
| TCMH1105 | Trollius chinensis | Jin Lian Hua | 金莲花 |
| TCMH1127 | Lonicera japonica | Jin Yin Hua | 金银花 |
| TCMH1128 | Lonicera japonica | Jin Yin Hua Ti Qu Ye | 金银花提取液 |
| TCMH114 | Platycladus orientalis | Bai Ye | 柏叶 |
| TCMH1142 | Schizonepetae spica | Jing Jie Sui | 荆芥穗 |
| TCMH1175 | Cornus officinalis | Jiu Yu Rou | 酒萸肉 |
| TCMH1178 | Citrus reticulata | Ju He | 橘核 |
Showing 1 to 10 of 123 entries
Ingredient ID: TCMC1563
Formula: C6H12O
Ingredient ID: TCMC1563
| Common Name | Methyl Isobutyl Ketone |
| IUPAC Name | 4-methylpentan-2-one |
| Canonical SMILES | CC(CC(=O)C)C |
| Standard InCHI | InChI=1S/C6H12O/c1-5(2)4-6(3)7/h5H,4H2,1-3H3 |
| Standard InCHIKey | NTIZESTWPVYFNL-UHFFFAOYSA-N |
| External Identifiers | ChEMBL [CHEMBL285323]; PubChem [7909]; |
| Reference of Component-Ingredient Pair | 23065996 |
Occurrence of the ingredient across TCM components
| Component ID | Latin Name | Pinyin Name | Chinese Name |
|---|---|---|---|
| TCMH123 | Pteris semipinnata | Ban Bian Qi | 半边旗 |
| TCMH1343 | Aloe vera | Lu Hui | 芦荟 |
| TCMH1734 | Homo sapiens | Ren Zhong Bai | 人中白 |
| TCMH1768 | Panax notoginseng | San Qi | 三七 |
| TCMH1903 | Zingiber officinale | Sheng Jiang | 生姜 |
| TCMH2066 | Santalum album | Tan Xiang | 檀香 |
| TCMH2710 | Homo sapiens | Zi He Che | 紫河车 |
Showing 1 to 7 of 7 entries
Ingredient ID: TCMC1516
Formula: C15H10O6
Ingredient ID: TCMC1516
| Common Name | Luteolin |
| IUPAC Name | 2-(3,4-dihydroxyphenyl)-5,7-dihydroxychromen-4-one |
| Canonical SMILES | Oc1cc(O)c2c(c1)oc(cc2=O)c1ccc(c(c1)O)O |
| Standard InCHI | InChI=1S/C15H10O6/c16-8-4-11(19)15-12(20)6-13(21-14(15)5-8)7-1-2-9(17)10(18)3-7/h1-6,16-19H |
| Standard InCHIKey | IQPNAANSBPBGFQ-UHFFFAOYSA-N |
| External Identifiers | ChEMBL [CHEMBL151]; PubChem [5280445]; |
| Reference of Component-Ingredient Pair | 23122135 |
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 |
| TCMH1022 | Celosia cristata | Ji Guan Hua | 鸡冠花 |
| TCMH108 | Perilla frutescens | Bai Su Zi | 白苏子 |
| TCMH1096 | Inula japonica | Jin Fei Cao | 金沸草 |
| TCMH1105 | Trollius chinensis | Jin Lian Hua | 金莲花 |
| TCMH1117 | Rhizoma fagopyri cymosi | Jin Qiao Mai | 金荞麦 |
| TCMH1121 | Cardiospermum halicacabum | Jin Si Ku Lian | 金丝苦楝 |
| TCMH1127 | Lonicera japonica | Jin Yin Hua | 金银花 |
Showing 1 to 10 of 140 entries
Ingredient ID: TCMC1513
Formula: C5H9NO2
Ingredient ID: TCMC1513
| Common Name | L-Proline |
| IUPAC Name | (2S)-pyrrolidine-2-carboxylic acid |
| Canonical SMILES | OC(=O)[C@@H]1CCCN1 |
| Standard InCHI | InChI=1S/C5H9NO2/c7-5(8)4-2-1-3-6-4/h4,6H,1-3H2,(H,7,8)/t4-/m0/s1 |
| Standard InCHIKey | ONIBWKKTOPOVIA-BYPYZUCNSA-N |
| External Identifiers | ChEMBL [CHEMBL54922]; PubChem [145742]; |
| 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 |
| TCMH1090 | Brassica juncea | Jie Zi | 芥子 |
| TCMH1175 | Cornus officinalis | Jiu Yu Rou | 酒萸肉 |
| TCMH1223 | Tussilago farfara | Kuan Dong Hua | 款冬花 |
| TCMH1294 | Cornu saigae tataricae | Ling Yang Jiao | 羚羊角 |
| TCMH130 | Pinellia ternata | Ban Xia | 半夏 |
| TCMH131 | Pinellia ternata | Ban Xia Qu | 半夏曲 |
| TCMH1332 | Penis cervi | Lu Bian | 鹿鞭 |
| TCMH1483 | Tussilago farfara | Mi Kuan Dong Hua | 蜜款冬花 |
Showing 1 to 10 of 44 entries
Ingredient ID: TCMC1512
Formula: C9H11NO2
Ingredient ID: TCMC1512
| Common Name | L-Phenylalanine |
| IUPAC Name | (2S)-2-azaniumyl-3-phenylpropanoate |
| Canonical SMILES | N[C@H](C(=O)O)Cc1ccccc1 |
| Standard InCHI | InChI=1S/C9H11NO2/c10-8(9(11)12)6-7-4-2-1-3-5-7/h1-5,8H,6,10H2,(H,11,12)/t8-/m0/s1 |
| Standard InCHIKey | COLNVLDHVKWLRT-QMMMGPOBSA-N |
| External Identifiers | ChEMBL [CHEMBL301523]; PubChem [6925665]; |
| Reference of Component-Ingredient Pair | 19212411 |
Occurrence of the ingredient across TCM components
| Component ID | Latin Name | Pinyin Name | Chinese Name |
|---|---|---|---|
| TCMH1090 | Brassica juncea | Jie Zi | 芥子 |
| TCMH1175 | Cornus officinalis | Jiu Yu Rou | 酒萸肉 |
| TCMH1294 | Cornu saigae tataricae | Ling Yang Jiao | 羚羊角 |
| TCMH130 | Pinellia ternata | Ban Xia | 半夏 |
| TCMH131 | Pinellia ternata | Ban Xia Qu | 半夏曲 |
| TCMH1632 | Taraxacum mongolicum | Pu Gong Ying | 蒲公英 |
| TCMH1633 | Taraxacum mongolicum | Pu Gong Ying Jin Gao | 蒲公英浸膏 |
| TCMH1667 | Fagopyrum esculentum | Qiao Mai | 荞麦 |
| TCMH1677 | Pinellia ternata | Qing Ban Xia | 清半夏 |
| TCMH1734 | Homo sapiens | Ren Zhong Bai | 人中白 |
Showing 1 to 10 of 44 entries
Ingredient ID: TCMC1480
Formula: C5H9NO4
Ingredient ID: TCMC1480
| Common Name | L-Glutamate |
| IUPAC Name | (2S)-2-azaniumyl-5-hydroxy-5-oxopentanoate |
| Canonical SMILES | OC(=O)CC[C@@H](C(=O)O)N |
| Standard InCHI | InChI=1S/C5H9NO4/c6-3(5(9)10)1-2-4(7)8/h3H,1-2,6H2,(H,7,8)(H,9,10)/t3-/m0/s1 |
| Standard InCHIKey | WHUUTDBJXJRKMK-VKHMYHEASA-N |
| External Identifiers | ChEMBL [CHEMBL575060]; PubChem [44272391]; |
| Reference of Component-Ingredient Pair | N/A |
Occurrence of the ingredient across TCM components
| Component ID | Latin Name | Pinyin Name | Chinese Name |
|---|---|---|---|
| TCMH1090 | Brassica juncea | Jie Zi | 芥子 |
| TCMH1175 | Cornus officinalis | Jiu Yu Rou | 酒萸肉 |
| TCMH1223 | Tussilago farfara | Kuan Dong Hua | 款冬花 |
| TCMH1483 | Tussilago farfara | Mi Kuan Dong Hua | 蜜款冬花 |
| TCMH1584 | Achyranthes bidentata | Niu Teng | 牛藤 |
| TCMH1588 | Achyranthes bidentata | Niu Xi | 牛膝 |
| TCMH1734 | Homo sapiens | Ren Zhong Bai | 人中白 |
| TCMH1862 | Cornus officinalis | Shan Zhu Yu | 山茱萸 |
| TCMH1920 | Acorus tatarinowii | Shi Chang Pu | 石菖蒲 |
| TCMH1922 | Acorus tatarinowii | Shi Chang Pu Jin Gao | 石菖蒲浸膏 |
Showing 1 to 10 of 23 entries
Ingredient ID: TCMC1422
Formula: C17H14O7
Ingredient ID: TCMC1422
| Common Name | Jaceosidine |
| IUPAC Name | 5,7-dihydroxy-2-(4-hydroxy-3-methoxyphenyl)-6-methoxychromen-4-one |
| Canonical SMILES | COc1cc(ccc1O)c1cc(=O)c2c(o1)cc(c(c2O)OC)O |
| Standard InCHI | InChI=1S/C17H14O7/c1-22-13-5-8(3-4-9(13)18)12-6-10(19)15-14(24-12)7-11(20)17(23-2)16(15)21/h3-7,18,20-21H,1-2H3 |
| Standard InCHIKey | GLAAQZFBFGEBPS-UHFFFAOYSA-N |
| External Identifiers | ChEMBL [CHEMBL487601]; PubChem [5379096]; |
| Reference of Component-Ingredient Pair | N/A |
Occurrence of the ingredient across TCM components
| Component ID | Latin Name | Pinyin Name | Chinese Name |
|---|---|---|---|
| TCMH12 | Artemisia argyi | Ai Ye | 艾叶 |
| TCMH13 | Artemisia argyi | Ai Ye You | 艾叶油 |
| TCMH197 | Bombyx mori | Can E | 蚕蛾 |
| TCMH200 | Bombyx mori | Can Jian | 蚕茧 |
| TCMH201 | Bombyx mori | Can Sha | 蚕砂 |
| TCMH202 | Bombyx mori | Can Yong | 蚕蛹 |
| TCMH2066 | Santalum album | Tan Xiang | 檀香 |
| TCMH2098 | Saussurea involucrata | Tian Shan Xue Lian Hua | 天山雪莲花 |
| TCMH2211 | Artemisia princeps | Wu Yue Ai | 五月艾 |
| TCMH2351 | Saussurea involucrata | Xue Lian | 雪莲 |
Showing 1 to 10 of 15 entries
Ingredient ID: TCMC1418
Formula: C21H20O10
Ingredient ID: TCMC1418
| Common Name | Isovitexin |
| IUPAC Name | 5,7-dihydroxy-2-(4-hydroxyphenyl)-6-[(2S,3R,4R,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]chromen-4-one |
| Canonical SMILES | OC[C@H]1O[C@H]([C@@H]([C@H]([C@@H]1O)O)O)c1c(O)cc2c(c1O)c(=O)cc(o2)c1ccc(cc1)O |
| Standard InCHI | InChI=1S/C21H20O10/c22-7-14-17(26)19(28)20(29)21(31-14)16-11(25)6-13-15(18(16)27)10(24)5-12(30-13)8-1-3-9(23)4-2-8/h1-6,14,17,19-23,25-29H,7H2/t14-,17-,19+,20-,21+/m1/s1 |
| Standard InCHIKey | MYXNWGACZJSMBT-VJXVFPJBSA-N |
| External Identifiers | ChEMBL [CHEMBL465360]; PubChem [162350]; |
| Reference of Component-Ingredient Pair | 22475010 |
Occurrence of the ingredient across TCM components
| Component ID | Latin Name | Pinyin Name | Chinese Name |
|---|---|---|---|
| TCMH1039 | Kummerowia striata | Ji Yan Cao | 鸡眼草 |
| TCMH1275 | Nelumbo nucifera | Lian Zi | 莲子 |
| TCMH1276 | Nelumbo nucifera | Lian Zi Xin | 莲子心 |
| TCMH1452 | Gerbera piloselloides | Mao Da Ding Cao | 毛大丁草 |
| TCMH1461 | Rubus parvifolius | Mao Mei Gen | 茅莓根 |
| TCMH1598 | Nelumbo nucifera | Ou | 藕 |
| TCMH1599 | Nelumbo nucifera | Ou Fen | 藕粉 |
| TCMH1601 | Nelumbo nucifera | Ou Pian | 藕片 |
| TCMH1632 | Taraxacum mongolicum | Pu Gong Ying | 蒲公英 |
| TCMH1633 | Taraxacum mongolicum | Pu Gong Ying Jin Gao | 蒲公英浸膏 |
Showing 1 to 10 of 44 entries
Ingredient ID: TCMC1411
Formula: C16H12O7
Ingredient ID: TCMC1411
| Common Name | Isorhamnetin |
| IUPAC Name | 3,5,7-trihydroxy-2-(4-hydroxy-3-methoxyphenyl)chromen-4-one |
| Canonical SMILES | COc1cc(ccc1O)c1oc2cc(O)cc(c2c(=O)c1O)O |
| Standard InCHI | InChI=1S/C16H12O7/c1-22-11-4-7(2-3-9(11)18)16-15(21)14(20)13-10(19)5-8(17)6-12(13)23-16/h2-6,17-19,21H,1H3 |
| Standard InCHIKey | IZQSVPBOUDKVDZ-UHFFFAOYSA-N |
| External Identifiers | ChEMBL [CHEMBL379064]; PubChem [5281654]; |
| Reference of Component-Ingredient Pair | 23046518 |
Occurrence of the ingredient across TCM components
| Component ID | Latin Name | Pinyin Name | Chinese Name |
|---|---|---|---|
| TCMH1000 | Foeniculum vulgare | Hui Xiang | 茴香 |
| TCMH1022 | Celosia cristata | Ji Guan Hua | 鸡冠花 |
| TCMH1096 | Inula japonica | Jin Fei Cao | 金沸草 |
| TCMH1105 | Trollius chinensis | Jin Lian Hua | 金莲花 |
| 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 |
| TCMH1272 | Forsythia suspensa | Lian Qiao | 连翘 |
| TCMH1275 | Nelumbo nucifera | Lian Zi | 莲子 |
Showing 1 to 10 of 62 entries
Ingredient ID: TCMC1403
Formula: C21H20O11
Ingredient ID: TCMC1403
| Common Name | Isoorientin |
| IUPAC Name | 2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-6-[(2S,3R,4R,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]chromen-4-one |
| Canonical SMILES | OC[C@H]1O[C@H]([C@@H]([C@H]([C@@H]1O)O)O)c1c(O)cc2c(c1O)c(=O)cc(o2)c1ccc(c(c1)O)O |
| Standard InCHI | InChI=1S/C21H20O11/c22-6-14-17(27)19(29)20(30)21(32-14)16-11(26)5-13-15(18(16)28)10(25)4-12(31-13)7-1-2-8(23)9(24)3-7/h1-5,14,17,19-24,26-30H,6H2/t14-,17-,19+,20-,21+/m1/s1 |
| Standard InCHIKey | ODBRNZZJSYPIDI-VJXVFPJBSA-N |
| External Identifiers | ChEMBL [CHEMBL239559]; PubChem [114776]; |
| Reference of Component-Ingredient Pair | 22475010 |
Occurrence of the ingredient across TCM components
| Component ID | Latin Name | Pinyin Name | Chinese Name |
|---|---|---|---|
| TCMH1275 | Nelumbo nucifera | Lian Zi | 莲子 |
| TCMH1276 | Nelumbo nucifera | Lian Zi Xin | 莲子心 |
| 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 |
| TCMH1598 | Nelumbo nucifera | Ou | 藕 |
| TCMH1599 | Nelumbo nucifera | Ou Fen | 藕粉 |
| TCMH1601 | Nelumbo nucifera | Ou Pian | 藕片 |
| TCMH1673 | Gentiana macrophylla | Qin Jiao | 秦艽 |
| TCMH1674 | Gentiana straminea | Qin Jiao Hua | 秦艽花 |
| TCMH1738 | Ficus microcarpa | Rong Shu Xu | 榕树须 |
Showing 1 to 10 of 31 entries
Ingredient ID: TCMC1331
Formula: C6H9N3O2
Ingredient ID: TCMC1331
| Common Name | Histidine |
| IUPAC Name | (2S)-2-amino-3-(1H-imidazol-5-yl)propanoic acid |
| Canonical SMILES | N[C@H](C(=O)O)Cc1cnc[nH]1 |
| Standard InCHI | InChI=1S/C6H9N3O2/c7-5(6(10)11)1-4-2-8-3-9-4/h2-3,5H,1,7H2,(H,8,9)(H,10,11)/t5-/m0/s1 |
| Standard InCHIKey | HNDVDQJCIGZPNO-YFKPBYRVSA-N |
| External Identifiers | ChEMBL [CHEMBL17962]; PubChem [6274]; |
| Reference of Component-Ingredient Pair | N/A |
Occurrence of the ingredient across TCM components
| Component ID | Latin Name | Pinyin Name | Chinese Name |
|---|---|---|---|
| TCMH1090 | Brassica juncea | Jie Zi | 芥子 |
| TCMH1175 | Cornus officinalis | Jiu Yu Rou | 酒萸肉 |
| TCMH130 | Pinellia ternata | Ban Xia | 半夏 |
| TCMH131 | Pinellia ternata | Ban Xia Qu | 半夏曲 |
| TCMH1677 | Pinellia ternata | Qing Ban Xia | 清半夏 |
| TCMH1734 | Homo sapiens | Ren Zhong Bai | 人中白 |
| TCMH1862 | Cornus officinalis | Shan Zhu Yu | 山茱萸 |
| TCMH1894 | Pinellia ternata | Sheng Ban Xia | 生半夏 |
| TCMH2066 | Santalum album | Tan Xiang | 檀香 |
| TCMH2375 | Trigonella foenum-graecum | Yan Hu Lu Ba | 盐胡芦巴 |
Showing 1 to 10 of 18 entries
Ingredient ID: TCMC1329
Formula: C16H12O6
Ingredient ID: TCMC1329
| Common Name | Hispidulin |
| IUPAC Name | 5,7-dihydroxy-2-(4-hydroxyphenyl)-6-methoxychromen-4-one |
| Canonical SMILES | COc1c(O)cc2c(c1O)c(=O)cc(o2)c1ccc(cc1)O |
| Standard InCHI | InChI=1S/C16H12O6/c1-21-16-11(19)7-13-14(15(16)20)10(18)6-12(22-13)8-2-4-9(17)5-3-8/h2-7,17,19-20H,1H3 |
| Standard InCHIKey | IHFBPDAQLQOCBX-UHFFFAOYSA-N |
| External Identifiers | ChEMBL [CHEMBL293776]; PubChem [5281628]; |
| Reference of Component-Ingredient Pair | 22978216 |
Occurrence of the ingredient across TCM components
| Component ID | Latin Name | Pinyin Name | Chinese Name |
|---|---|---|---|
| TCMH1059 | Glycine max | Jiang | 姜 |
| TCMH1062 | Glycine max | Jiang Gao | 姜膏 |
| TCMH1067 | Glycine max | Jiang Tan | 姜炭 |
| TCMH12 | Artemisia argyi | Ai Ye | 艾叶 |
| TCMH13 | Artemisia argyi | Ai Ye You | 艾叶油 |
| TCMH132 | Scutellaria barbata | Ban Zhi Lian | 半枝莲 |
| TCMH1475 | Glycyrrhiza uralensis | Mi Gan Cao | 蜜甘草 |
| TCMH1489 | Papaver somniferum | Mi Ying Su Ke | 蜜罂粟壳 |
| TCMH1899 | Glycyrrhiza uralensis | Sheng Gan Cao | 生甘草 |
| TCMH197 | Bombyx mori | Can E | 蚕蛾 |
Showing 1 to 10 of 49 entries
Ingredient ID: TCMC1271
Formula: C2H5NO2
Ingredient ID: TCMC1271
| Common Name | Glycine |
| IUPAC Name | 2-aminoacetic acid |
| Canonical SMILES | NCC(=O)O |
| Standard InCHI | InChI=1S/C2H5NO2/c3-1-2(4)5/h1,3H2,(H,4,5) |
| Standard InCHIKey | DHMQDGOQFOQNFH-UHFFFAOYSA-N |
| External Identifiers | ChEMBL [CHEMBL773]; PubChem [750]; |
| 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 |
| TCMH1090 | Brassica juncea | Jie Zi | 芥子 |
| TCMH1175 | Cornus officinalis | Jiu Yu Rou | 酒萸肉 |
| TCMH1185 | Lycium chinense | Gou Qi | 枸杞 |
| TCMH1186 | Lycium chinense | Gou Qi Zi | 枸杞子 |
| TCMH130 | Pinellia ternata | Ban Xia | 半夏 |
| TCMH131 | Pinellia ternata | Ban Xia Qu | 半夏曲 |
| TCMH1322 | Solanum nigrum | Long Kui | 龙葵 |
| TCMH1677 | Pinellia ternata | Qing Ban Xia | 清半夏 |
Showing 1 to 10 of 36 entries
Ingredient ID: TCMC1160
Formula: C16H12O7
Ingredient ID: TCMC1160
| Common Name | Eupafolin |
| IUPAC Name | 2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-6-methoxychromen-4-one |
| Canonical SMILES | COc1c(O)cc2c(c1O)c(=O)cc(o2)c1ccc(c(c1)O)O |
| Standard InCHI | InChI=1S/C16H12O7/c1-22-16-11(20)6-13-14(15(16)21)10(19)5-12(23-13)7-2-3-8(17)9(18)4-7/h2-6,17-18,20-21H,1H3 |
| Standard InCHIKey | FHHSEFRSDKWJKJ-UHFFFAOYSA-N |
| External Identifiers | ChEMBL [CHEMBL172350]; PubChem [5317284]; |
| Reference of Component-Ingredient Pair | N/A |
Occurrence of the ingredient across TCM components
| Component ID | Latin Name | Pinyin Name | Chinese Name |
|---|---|---|---|
| TCMH1096 | Inula japonica | Jin Fei Cao | 金沸草 |
| TCMH1721 | Panax ginseng | Ren Shen | 人参 |
| TCMH1728 | Panax ginseng | Ren Shen Ye | 人参叶 |
| TCMH1839 | Panax ginseng | Shan Shen | 山参 |
| TCMH1846 | Artemisia capillaris | Shan Yin Chen | 山茵陈 |
| TCMH197 | Bombyx mori | Can E | 蚕蛾 |
| TCMH200 | Bombyx mori | Can Jian | 蚕茧 |
| TCMH201 | Bombyx mori | Can Sha | 蚕砂 |
| TCMH202 | Bombyx mori | Can Yong | 蚕蛹 |
| TCMH2066 | Santalum album | Tan Xiang | 檀香 |
Showing 1 to 10 of 17 entries
Ingredient ID: TCMC1144
Formula: C4H8O2
Ingredient ID: TCMC1144
| Common Name | Ethyl Acetate |
| IUPAC Name | ethyl acetate |
| Canonical SMILES | CCOC(=O)C |
| Standard InCHI | InChI=1S/C4H8O2/c1-3-6-4(2)5/h3H2,1-2H3 |
| Standard InCHIKey | XEKOWRVHYACXOJ-UHFFFAOYSA-N |
| External Identifiers | ChEMBL [CHEMBL14152]; PubChem [8857]; |
| Reference of Component-Ingredient Pair | 23680158 |
Occurrence of the ingredient across TCM components
| Component ID | Latin Name | Pinyin Name | Chinese Name |
|---|---|---|---|
| TCMH1175 | Cornus officinalis | Jiu Yu Rou | 酒萸肉 |
| TCMH1343 | Aloe vera | Lu Hui | 芦荟 |
| TCMH1531 | Akebia quinata | Mu Tong | 木通 |
| TCMH1734 | Homo sapiens | Ren Zhong Bai | 人中白 |
| TCMH1862 | Cornus officinalis | Shan Zhu Yu | 山茱萸 |
| TCMH1903 | Zingiber officinale | Sheng Jiang | 生姜 |
| TCMH2066 | Santalum album | Tan Xiang | 檀香 |
| TCMH2129 | Eupolyphaga sinensis | Tu Bie Chong | 土鳖虫 |
| TCMH2710 | Homo sapiens | Zi He Che | 紫河车 |
| TCMH421 | Angelica sinensis | Dang Gui | 当归 |
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 |
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| TCMC1144 | C4H8O2 | Ethyl Acetate | 88.05 | 0.2715 | 1.68 | 0.664 | 2 | 0 | 26.3 | 4 | 0 | 6 | 0 |
| TCMC1160 | C16H12O7 | Eupafolin | 316.06 | -2.3966 | 2.45 | 0.589 | 1 | 4 | 116.45 | 7 | 3 | 23 | 0 |
| TCMC1271 | C2H5NO2 | Glycine | 75.03 | -1.1915 | 1.35 | -3.35 | 3 | 2 | 63.32 | 3 | 0 | 5 | 0 |
| TCMC1329 | C16H12O6 | Hispidulin | 300.06 | -1.9363 | 2.56 | 1.123 | 1 | 3 | 96.22 | 6 | 3 | 22 | 0 |
| TCMC1331 | C6H9N3O2 | Histidine | 155.07 | -1.3116 | 1.57 | -3.134 | 5 | 3 | 92 | 5 | 1 | 11 | 0 |
| TCMC1403 | C21H20O11 | Isoorientin | 448.1 | -4.5805 | 2.56 | -1.042 | 6 | 8 | 197.37 | 11 | 4 | 32 | 1 |
| TCMC1411 | C16H12O7 | Isorhamnetin | 316.06 | -2.3927 | 2.45 | 1.471 | 2 | 4 | 116.45 | 7 | 3 | 23 | 0 |
| TCMC1418 | C21H20O10 | Isovitexin | 432.11 | -4.1202 | 2.67 | -0.508 | 6 | 7 | 177.14 | 10 | 4 | 31 | 1 |
| TCMC1422 | C17H14O7 | Jaceosidine | 330.07 | -1.9881 | 2.56 | 0.679 | 1 | 3 | 105.45 | 8 | 3 | 24 | 0 |
| TCMC1480 | C5H9NO4 | L-Glutamate | 147.05 | -1.6398 | 1.46 | -3.349 | 5 | 3 | 100.62 | 7 | 0 | 10 | 0 |
Showing 1 to 10 of 57 entries
Download Data
All data can be downloaded by:→ Selecting data type in the below download table
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