Description of the Component
Component ID |
TCMH12 |
Latin Name |
Artemisia argyi |
English Name |
Argy wormwood leaf |
Chinese Pinyin Name |
Ai Ye |
中文名 |
艾叶 |
TCM Properties |
Warm,Pungent,Bitter |
TCM Meridians |
Spleen,Liver,Kidney |
Therapeutic Class English |
Bleeding control |
Therapeutic Class Chinese |
止血 |
Functions |
warm the channels and stop bleeding, dispel cold and stop pain |
Toxicity |
NA |
Geo-authentic habitats (道地产区) |
Anhui Province |
Reference |
Chinese Pharmacopoeia (2015) |
Barcode ID |
ITSAE2504-14 |
Barcode Source |
BOLDSYSTEMS |
TCM Prescriptions with the Component
| Prescription ID | Prescription English Name | Prescription Chinese Name |
|---|---|---|
| TCMF1333 | Aifu Nuangong Pills | 艾附暖宫丸 |
| TCMF1437 | Shenrong Baotai Pills | 参茸保胎丸 |
| TCMF1675 | Four Fresh Ingredients Pills | 四生丸 |
| TCMF2039 | Decoction of Colla Corii Asini and Artemisiae Argyi | 胶艾汤 |
| TCMF2100 | Aifu Nuangong Pills | 艾附暖宫丸 |
| TCMF227 | Qi Zhi Xiang Fu Pills | 七制香附丸 |
| TCMF2307 | Added Flavor JA Four Object Decoction | 加味胶艾四物汤 |
| TCMF2319 | Qi Tonification Period Decoction | 补气固经汤 |
| TCMF2322 | Powder for Threatened Abortion | 保产无忧散 |
| TCMF2476 | Change and Interior Modulation Decoction |
Showing 1 to 10 of 95 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 |
| TCMT11 | HIF1A | Hypoxia-inducible factor 1 alpha | Transcription factor | Q16665 |
| TCMT112 | ADORA3 | Adenosine A3 receptor | GPCR | P0DMS8 |
| TCMT113 | OPRD1 | Delta opioid receptor | GPCR | P41143 |
| TCMT114 | CNR2 | Cannabinoid CB2 receptor | GPCR | P34972 |
| TCMT115 | CNR1 | Cannabinoid CB1 receptor | GPCR | P21554 |
| TCMT116 | OPRM1 | Mu opioid receptor | GPCR | P35372 |
| TCMT117 | OPRK1 | Kappa opioid receptor | GPCR | P41145 |
Showing 1 to 10 of 149 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 |
| TCMT1108 | Integrase |
| TCMT1109 | Reverse transcriptase |
| TCMT1121 | Sialidase |
| TCMT1136 | Neuraminidase |
| TCMT1181 | Mycobacterium tuberculosis H37Ra |
Showing 1 to 10 of 48 entries
Ingredient Structrues
Ingredient ID: TCMC960
Formula: C10H12O
Ingredient ID: TCMC960
| Common Name | Cuminaldehyde |
| IUPAC Name | 4-propan-2-ylbenzaldehyde |
| Canonical SMILES | O=Cc1ccc(cc1)C(C)C |
| Standard InCHI | InChI=1S/C10H12O/c1-8(2)10-5-3-9(7-11)4-6-10/h3-8H,1-2H3 |
| Standard InCHIKey | WTWBUQJHJGUZCY-UHFFFAOYSA-N |
| External Identifiers | ChEMBL [CHEMBL161577]; PubChem [326]; |
| Reference of Component-Ingredient Pair | 23035918 |
Occurrence of the ingredient across TCM components
| Component ID | Latin Name | Pinyin Name | Chinese Name |
|---|---|---|---|
| TCMH1000 | Foeniculum vulgare | Hui Xiang | 茴香 |
| TCMH12 | Artemisia argyi | Ai Ye | 艾叶 |
| TCMH13 | Artemisia argyi | Ai Ye You | 艾叶油 |
| TCMH1398 | Ephedra sinica | Ma Huang | 麻黄 |
| TCMH1399 | Ephedra sinica | Ma Huang Gao | 麻黄膏 |
| TCMH1400 | Ephedra sinica | Ma Huang Gen | 麻黄根 |
| TCMH1401 | Ephedra sinica | Ma Huang Jin Gao | 麻黄浸膏 |
| TCMH1486 | Ephedra sinica | Mi Ma Huang | 蜜麻黄 |
| TCMH1507 | Commiphora myrrha | Mo Xiang | 没香 |
| TCMH1508 | Commiphora myrrha | Mo Yao | 没药 |
Showing 1 to 10 of 32 entries
Ingredient ID: TCMC954
Formula: C4H6O
Ingredient ID: TCMC954
| Common Name | Crotonaldehyde |
| IUPAC Name | (E)-but-2-enal |
| Canonical SMILES | C/C=C/C=O |
| Standard InCHI | InChI=1S/C4H6O/c1-2-3-4-5/h2-4H,1H3/b3-2+ |
| Standard InCHIKey | MLUCVPSAIODCQM-NSCUHMNNSA-N |
| External Identifiers | ChEMBL [CHEMBL1086445]; PubChem [447466]; |
| 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 |
| TCMH1343 | Aloe vera | Lu Hui | 芦荟 |
| TCMH1495 | Gossypium herbaceum | Mian Hua Gen | 棉花根 |
| TCMH1734 | Homo sapiens | Ren Zhong Bai | 人中白 |
| TCMH2211 | Artemisia princeps | Wu Yue Ai | 五月艾 |
| TCMH2710 | Homo sapiens | Zi He Che | 紫河车 |
| TCMH74 | Patrinia villosa | Bai Jiang | 败酱 |
| TCMH892 | Hericium erinaceus | Hou Tou Jun | 猴头菌 |
| TCMH924 | Zanthoxylum bungeanum | Hua Jiao | 花椒 |
Showing 1 to 10 of 10 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: TCMC922
Formula: C10H16O
Ingredient ID: TCMC922
| Common Name | Citral |
| IUPAC Name | (2E)-3,7-dimethylocta-2,6-dienal |
| Canonical SMILES | O=C/C=C(/CCC=C(C)C)C |
| Standard InCHI | InChI=1S/C10H16O/c1-9(2)5-4-6-10(3)7-8-11/h5,7-8H,4,6H2,1-3H3/b10-7+ |
| Standard InCHIKey | WTEVQBCEXWBHNA-JXMROGBWSA-N |
| External Identifiers | ChEMBL [CHEMBL1080997]; PubChem [638011]; |
| Reference of Component-Ingredient Pair | 29968805 |
Occurrence of the ingredient across TCM components
| Component ID | Latin Name | Pinyin Name | Chinese Name |
|---|---|---|---|
| TCMH1063 | Curcuma longa | Jiang Huang | 姜黄 |
| TCMH1065 | Cortex zingiberis | Jiang Pi | 姜皮 |
| TCMH108 | Perilla frutescens | Bai Su Zi | 白苏子 |
| TCMH1178 | Citrus reticulata | Ju He | 橘核 |
| TCMH1184 | Citrus reticulata | Ju Pi | 橘皮 |
| TCMH12 | Artemisia argyi | Ai Ye | 艾叶 |
| TCMH1219 | Semen armeniacae amarum | Ku Xing Ren | 苦杏仁 |
| TCMH1272 | Forsythia suspensa | Lian Qiao | 连翘 |
| TCMH13 | Artemisia argyi | Ai Ye You | 艾叶油 |
| TCMH1562 | Arctium lappa | Niu Bang Zi | 牛蒡子 |
Showing 1 to 10 of 65 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: TCMC887
Formula: C16H34O
Ingredient ID: TCMC887
| Common Name | Cetyl Alcohol |
| IUPAC Name | hexadecan-1-ol |
| Canonical SMILES | CCCCCCCCCCCCCCCCO |
| Standard InCHI | InChI=1S/C16H34O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17/h17H,2-16H2,1H3 |
| Standard InCHIKey | BXWNKGSJHAJOGX-UHFFFAOYSA-N |
| External Identifiers | ChEMBL [CHEMBL706]; PubChem [2682]; |
| 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 |
| TCMH1734 | Homo sapiens | Ren Zhong Bai | 人中白 |
| TCMH1846 | Artemisia capillaris | Shan Yin Chen | 山茵陈 |
| TCMH2154 | Artemisia capillaris | Tu Yin Chen Hao | 土茵陈蒿 |
| TCMH2211 | Artemisia princeps | Wu Yue Ai | 五月艾 |
| TCMH2369 | Gleditsia sinensis | Ya Zao | 牙皂 |
| TCMH2494 | Artemisia capillaris | Yin Chen Hao | 茵陈蒿 |
| TCMH2495 | Artemisia capillaris | Yin Chen Hao Gan Jin Gao | 茵陈蒿干浸膏 |
| TCMH2569 | Gleditsia sinensis | Zao Jia | 皂荚 |
Showing 1 to 10 of 19 entries
Ingredient ID: TCMC886
Formula: C18H38O
Ingredient ID: TCMC886
| Common Name | Cetostearyl Alcohol |
| IUPAC Name | octadecan-1-ol |
| Canonical SMILES | CCCCCCCCCCCCCCCCCCO |
| Standard InCHI | InChI=1S/C18H38O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19/h19H,2-18H2,1H3 |
| Standard InCHIKey | GLDOVTGHNKAZLK-UHFFFAOYSA-N |
| External Identifiers | ChEMBL [CHEMBL24640]; PubChem [8221]; |
| Reference of Component-Ingredient Pair | 22639192 |
Occurrence of the ingredient across TCM components
| Component ID | Latin Name | Pinyin Name | Chinese Name |
|---|---|---|---|
| TCMH1139 | Radix euphorbiae pekinensis | Jing Da Ji | 京大戟 |
| TCMH1175 | Cornus officinalis | Jiu Yu Rou | 酒萸肉 |
| TCMH12 | Artemisia argyi | Ai Ye | 艾叶 |
| TCMH13 | Artemisia argyi | Ai Ye You | 艾叶油 |
| TCMH1343 | Aloe vera | Lu Hui | 芦荟 |
| TCMH1518 | Chaenomeles sinensis | Mu Gua | 木瓜 |
| 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 |
| TCMH1839 | Panax ginseng | Shan Shen | 山参 |
Showing 1 to 10 of 19 entries
Ingredient ID: TCMC872
Formula: C10H14O
Ingredient ID: TCMC872
| Common Name | Carvacrol |
| IUPAC Name | 2-methyl-5-propan-2-ylphenol |
| Canonical SMILES | CC(c1ccc(c(c1)O)C)C |
| Standard InCHI | InChI=1S/C10H14O/c1-7(2)9-5-4-8(3)10(11)6-9/h4-7,11H,1-3H3 |
| Standard InCHIKey | RECUKUPTGUEGMW-UHFFFAOYSA-N |
| External Identifiers | ChEMBL [CHEMBL281202]; PubChem [10364]; |
| Reference of Component-Ingredient Pair | 29658714 |
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 |
| 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 |
| TCMH122 | Lobelia chinensis | Ban Bian Lian | 半边莲 |
| TCMH13 | Artemisia argyi | Ai Ye You | 艾叶油 |
Showing 1 to 10 of 74 entries
Ingredient ID: TCMC857
Formula: C10H16O
Ingredient ID: TCMC857
| Common Name | Camphor |
| IUPAC Name | (1R,4R)-4,7,7-trimethylbicyclo[2.2.1]heptan-3-one |
| Canonical SMILES | O=C1C[C@@H]2C([C@@]1(C)CC2)(C)C |
| Standard InCHI | InChI=1S/C10H16O/c1-9(2)7-4-5-10(9,3)8(11)6-7/h7H,4-6H2,1-3H3/t7-,10+/m1/s1 |
| Standard InCHIKey | DSSYKIVIOFKYAU-XCBNKYQSSA-N |
| External Identifiers | ChEMBL [CHEMBL504760]; PubChem [159055]; |
| Reference of Component-Ingredient Pair | 21162008 |
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 |
| TCMH1063 | Curcuma longa | Jiang Huang | 姜黄 |
| TCMH1117 | Rhizoma fagopyri cymosi | Jin Qiao Mai | 金荞麦 |
| TCMH1178 | Citrus reticulata | Ju He | 橘核 |
| TCMH1184 | Citrus reticulata | Ju Pi | 橘皮 |
| TCMH12 | Artemisia argyi | Ai Ye | 艾叶 |
| TCMH1272 | Forsythia suspensa | Lian Qiao | 连翘 |
| TCMH13 | Artemisia argyi | Ai Ye You | 艾叶油 |
| TCMH132 | Scutellaria barbata | Ban Zhi Lian | 半枝莲 |
Showing 1 to 10 of 54 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: TCMC844
Formula: C4H10O
Ingredient ID: TCMC844
| Common Name | Butyl Alcohol |
| IUPAC Name | butan-1-ol |
| Canonical SMILES | CCCCO |
| Standard InCHI | InChI=1S/C4H10O/c1-2-3-4-5/h5H,2-4H2,1H3 |
| Standard InCHIKey | LRHPLDYGYMQRHN-UHFFFAOYSA-N |
| External Identifiers | ChEMBL [CHEMBL14245]; PubChem [263]; |
| 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 |
| TCMH147 | Glehnia littoralis | Bei Sha Shen | 北沙参 |
| TCMH148 | Glehnia littoralis | Bei Sha Shen Liu Jin Gao | 北沙参流浸膏 |
| TCMH1734 | Homo sapiens | Ren Zhong Bai | 人中白 |
| TCMH1903 | Zingiber officinale | Sheng Jiang | 生姜 |
| TCMH2129 | Eupolyphaga sinensis | Tu Bie Chong | 土鳖虫 |
| TCMH2211 | Artemisia princeps | Wu Yue Ai | 五月艾 |
| TCMH2506 | Ginkgo biloba | Yin Xing Ye | 银杏叶 |
| TCMH2710 | Homo sapiens | Zi He Che | 紫河车 |
Showing 1 to 10 of 15 entries
Ingredient ID: TCMC836
Formula: C4H6O2
Ingredient ID: TCMC836
| Common Name | Butanedione |
| IUPAC Name | butane-2,3-dione |
| Canonical SMILES | CC(=O)C(=O)C |
| Standard InCHI | InChI=1S/C4H6O2/c1-3(5)4(2)6/h1-2H3 |
| Standard InCHIKey | QSJXEFYPDANLFS-UHFFFAOYSA-N |
| External Identifiers | ChEMBL [CHEMBL365809]; PubChem [650]; |
| 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 |
| TCMH1343 | Aloe vera | Lu Hui | 芦荟 |
| TCMH1495 | Gossypium herbaceum | Mian Hua Gen | 棉花根 |
| TCMH1667 | Fagopyrum esculentum | Qiao Mai | 荞麦 |
| TCMH1734 | Homo sapiens | Ren Zhong Bai | 人中白 |
| TCMH2129 | Eupolyphaga sinensis | Tu Bie Chong | 土鳖虫 |
| TCMH2191 | Prunus mume | Wu Mei | 乌梅 |
| TCMH2192 | Prunus mume | Wu Mei Rou | 乌梅肉 |
| TCMH2211 | Artemisia princeps | Wu Yue Ai | 五月艾 |
Showing 1 to 10 of 14 entries
Ingredient ID: TCMC833
Formula: C4H6O
Ingredient ID: TCMC833
| Common Name | But-3-En-2-One |
| IUPAC Name | but-3-en-2-one |
| Canonical SMILES | CC(=O)C=C |
| Standard InCHI | InChI=1S/C4H6O/c1-3-4(2)5/h3H,1H2,2H3 |
| Standard InCHIKey | FUSUHKVFWTUUBE-UHFFFAOYSA-N |
| External Identifiers | ChEMBL [CHEMBL1600824]; PubChem [6570]; |
| 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 |
| TCMH1734 | Homo sapiens | Ren Zhong Bai | 人中白 |
| TCMH2211 | Artemisia princeps | Wu Yue Ai | 五月艾 |
| TCMH2710 | Homo sapiens | Zi He Che | 紫河车 |
| TCMH924 | Zanthoxylum bungeanum | Hua Jiao | 花椒 |
Showing 1 to 6 of 6 entries
Ingredient ID: TCMC774
Formula: C7H8O
Ingredient ID: TCMC774
| Common Name | Benzyl Alcohol |
| IUPAC Name | phenylmethanol |
| Canonical SMILES | OCc1ccccc1 |
| Standard InCHI | InChI=1S/C7H8O/c8-6-7-4-2-1-3-5-7/h1-5,8H,6H2 |
| Standard InCHIKey | WVDDGKGOMKODPV-UHFFFAOYSA-N |
| External Identifiers | ChEMBL [CHEMBL720]; PubChem [244]; |
| Reference of Component-Ingredient Pair | 22999809 |
Occurrence of the ingredient across TCM components
| Component ID | Latin Name | Pinyin Name | Chinese Name |
|---|---|---|---|
| TCMH1008 | Pogostemon cablin | Huo Xiang | 藿香 |
| TCMH1009 | Pogostemon cablin | Huo Xiang Ye | 藿香叶 |
| TCMH1126 | Craibiodendron yunnanese | Jin Ye Zi | 金叶子 |
| TCMH1127 | Lonicera japonica | Jin Yin Hua | 金银花 |
| TCMH1128 | Lonicera japonica | Jin Yin Hua Ti Qu Ye | 金银花提取液 |
| TCMH1178 | Citrus reticulata | Ju He | 橘核 |
| TCMH1184 | Citrus reticulata | Ju Pi | 橘皮 |
| TCMH12 | Artemisia argyi | Ai Ye | 艾叶 |
| TCMH1264 | Litchi chinensis | Li Zhi He | 荔枝核 |
| TCMH13 | Artemisia argyi | Ai Ye You | 艾叶油 |
Showing 1 to 10 of 51 entries
Ingredient ID: TCMC770
Formula: C7H6O2
Ingredient ID: TCMC770
| Common Name | Benzoic Acid |
| IUPAC Name | hydron;benzoate |
| Canonical SMILES | OC(=O)c1ccccc1 |
| Standard InCHI | InChI=1S/C7H6O2/c8-7(9)6-4-2-1-3-5-6/h1-5H,(H,8,9) |
| Standard InCHIKey | WPYMKLBDIGXBTP-UHFFFAOYSA-N |
| External Identifiers | ChEMBL [CHEMBL541]; PubChem [20144841]; |
| Reference of Component-Ingredient Pair | N/A |
Occurrence of the ingredient across TCM components
| Component ID | Latin Name | Pinyin Name | Chinese Name |
|---|---|---|---|
| TCMH104 | Paeonia lactiflora | Bai Shao | 白芍 |
| TCMH1045 | Piper sarmentosum | Jia Ju | 假蒟 |
| TCMH105 | Paeonia lactiflora | Bai Shao Gan Jin Gao | 白芍干浸膏 |
| TCMH1051 | Piper sarmentosum | Jia 蒟ye | 假蒟叶 |
| TCMH1105 | Trollius chinensis | Jin Lian Hua | 金莲花 |
| TCMH1150 | Gynura segetum | Jing Tian San Qi | 景天三七 |
| TCMH12 | Artemisia argyi | Ai Ye | 艾叶 |
| TCMH126 | Isatis indigotica | Ban Lan | 板蓝 |
| TCMH127 | Isatis indigotica | Ban Lan Gen | 板蓝根 |
| TCMH1272 | Forsythia suspensa | Lian Qiao | 连翘 |
Showing 1 to 10 of 67 entries
Ingredient ID: TCMC761
Formula: C7H6O
Ingredient ID: TCMC761
| Common Name | Benzaldehyde |
| IUPAC Name | benzaldehyde |
| Canonical SMILES | O=Cc1ccccc1 |
| Standard InCHI | InChI=1S/C7H6O/c8-6-7-4-2-1-3-5-7/h1-6H |
| Standard InCHIKey | HUMNYLRZRPPJDN-UHFFFAOYSA-N |
| External Identifiers | ChEMBL [CHEMBL15972]; PubChem [240]; |
| Reference of Component-Ingredient Pair | 23043335 |
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 |
| TCMH1063 | Curcuma longa | Jiang Huang | 姜黄 |
| TCMH108 | Perilla frutescens | Bai Su Zi | 白苏子 |
| TCMH1127 | Lonicera japonica | Jin Yin Hua | 金银花 |
| TCMH1128 | Lonicera japonica | Jin Yin Hua Ti Qu Ye | 金银花提取液 |
| TCMH114 | Platycladus orientalis | Bai Ye | 柏叶 |
| TCMH1142 | Schizonepetae spica | Jing Jie Sui | 荆芥穗 |
Showing 1 to 10 of 105 entries
Ingredient ID: TCMC7183
Formula: C17H20O5
Ingredient ID: TCMC7183
| Common Name | 1-Oxo-4Α-Acetoxyeudesma-2,1(13)-Dien-12,8Β-Olide |
| IUPAC Name | [(3aR,4aR,5R,8aR,9aR)-5,8a-dimethyl-3-methylidene-2,8-dioxo-4,4a,9,9a-tetrahydro-3aH-benzo[f][1]benzofuran-5-yl] acetate |
| Canonical SMILES | CC(=O)O[C@]1(C)C=CC(=O)[C@]2([C@H]1C[C@H]1[C@@H](C2)OC(=O)C1=C)C |
| Standard InCHI | InChI=1S/C17H20O5/c1-9-11-7-13-16(3,8-12(11)21-15(9)20)14(19)5-6-17(13,4)22-10(2)18/h5-6,11-13H,1,7-8H2,2-4H3/t11-,12-,13-,16-,17-/m1/s1 |
| Standard InCHIKey | CNQOVOAKASKYMA-BTWAPCQXSA-N |
| External Identifiers | ChEMBL [N/A]; PubChem [101642423]; |
| Reference of Component-Ingredient Pair | N/A |
Occurrence of the ingredient across TCM components
Ingredient ID: TCMC7182
Formula: C17H20O5
Ingredient ID: TCMC7182
| Common Name | 1-Oxo-4Β-Acetoxyeudesma-2,1(13)-Dien-12,8Β-Olide |
| IUPAC Name | [(3aR,4aR,5S,8aR,9aR)-5,8a-dimethyl-3-methylidene-2,8-dioxo-4,4a,9,9a-tetrahydro-3aH-benzo[f][1]benzofuran-5-yl] acetate |
| Canonical SMILES | CC(=O)O[C@@]1(C)C=CC(=O)[C@]2([C@H]1C[C@H]1[C@@H](C2)OC(=O)C1=C)C |
| Standard InCHI | InChI=1S/C17H20O5/c1-9-11-7-13-16(3,8-12(11)21-15(9)20)14(19)5-6-17(13,4)22-10(2)18/h5-6,11-13H,1,7-8H2,2-4H3/t11-,12-,13-,16-,17+/m1/s1 |
| Standard InCHIKey | CNQOVOAKASKYMA-USXSHJJOSA-N |
| External Identifiers | ChEMBL [N/A]; PubChem [101642422]; |
| Reference of Component-Ingredient Pair | N/A |
Occurrence of the ingredient across TCM components
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: TCMC6889
Formula: C13H16O2
Ingredient ID: TCMC6889
| Common Name | Vinyl-2,2-Dimethyl-3-Phenyl-Propionate |
| IUPAC Name | ethenyl 2,2-dimethyl-3-phenylpropanoate |
| Canonical SMILES | C=COC(=O)C(Cc1ccccc1)(C)C |
| Standard InCHI | InChI=1S/C13H16O2/c1-4-15-12(14)13(2,3)10-11-8-6-5-7-9-11/h4-9H,1,10H2,2-3H3 |
| Standard InCHIKey | RZDKEXUVTRLISO-UHFFFAOYSA-N |
| External Identifiers | ChEMBL [N/A]; PubChem [71438330]; |
| Reference of Component-Ingredient Pair | N/A |
Occurrence of the ingredient across TCM components
Ingredient ID: TCMC6819
Formula: C5H11NO2
Ingredient ID: TCMC6819
| Common Name | 2-N-Propyl-1,3-Dioxolane |
| IUPAC Name | 2-propyl-1,3,2-dioxazolidine |
| Canonical SMILES | CCCN1OCCO1 |
| Standard InCHI | InChI=1S/C5H11NO2/c1-2-3-6-7-4-5-8-6/h2-5H2,1H3 |
| Standard InCHIKey | DDEGRJFTMSAWOG-UHFFFAOYSA-N |
| External Identifiers | ChEMBL [N/A]; PubChem [53754059]; |
| Reference of Component-Ingredient Pair | US4085134 |
Occurrence of the ingredient across TCM components
Ingredient ID: TCMC6800
Formula: C15H28O2
Ingredient ID: TCMC6800
| Common Name | Cryptomeridiol |
| IUPAC Name | (1R,4aR,8aR)-7-(2-hydroxypropan-2-yl)-1,4a-dimethyl-2,3,4,5,6,7,8,8a-octahydronaphthalen-1-ol |
| Canonical SMILES | CC(C1CC[C@@]2([C@@H](C1)[C@](C)(O)CCC2)C)(O)C |
| Standard InCHI | InChI=1S/C15H28O2/c1-13(2,16)11-6-9-14(3)7-5-8-15(4,17)12(14)10-11/h11-12,16-17H,5-10H2,1-4H3/t11?,12-,14-,15-/m1/s1 |
| Standard InCHIKey | LKKDASYGWYYFIK-ZJPTYJIISA-N |
| External Identifiers | ChEMBL [CHEMBL1288770]; PubChem [52940854]; |
| Reference of Component-Ingredient Pair | N/A |
Occurrence of the ingredient across TCM components
Ingredient ID: TCMC671
Formula: C10H16
Ingredient ID: TCMC671
| Common Name | Alpha-Pinene |
| IUPAC Name | 4,6,6-trimethylbicyclo[3.1.1]hept-3-ene |
| Canonical SMILES | CC1=CCC2CC1C2(C)C |
| Standard InCHI | InChI=1S/C10H16/c1-7-4-5-8-6-9(7)10(8,2)3/h4,8-9H,5-6H2,1-3H3 |
| Standard InCHIKey | GRWFGVWFFZKLTI-UHFFFAOYSA-N |
| External Identifiers | ChEMBL [CHEMBL442565]; PubChem [6654]; |
| Reference of Component-Ingredient Pair | 29191726 |
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 |
| TCMH1165 | Murraya paniculata | Jiu Li Xiang | 九里香 |
| TCMH1178 | Citrus reticulata | Ju He | 橘核 |
| TCMH1184 | Citrus reticulata | Ju Pi | 橘皮 |
| TCMH12 | Artemisia argyi | Ai Ye | 艾叶 |
| TCMH122 | Lobelia chinensis | Ban Bian Lian | 半边莲 |
| TCMH1225 | Valeriana officinalis | Kuan Ye Xie Cao | 宽叶缬草 |
| TCMH1272 | Forsythia suspensa | Lian Qiao | 连翘 |
| TCMH13 | Artemisia argyi | Ai Ye You | 艾叶油 |
Showing 1 to 10 of 101 entries
Ingredient ID: TCMC668
Formula: C15H26O
Ingredient ID: TCMC668
| Common Name | Alpha-Bisabolol |
| IUPAC Name | (2S)-6-methyl-2-[(1S)-4-methylcyclohex-3-en-1-yl]hept-5-en-2-ol |
| Canonical SMILES | CC(=CCC[C@@]([C@H]1CCC(=CC1)C)(O)C)C |
| Standard InCHI | InChI=1S/C15H26O/c1-12(2)6-5-11-15(4,16)14-9-7-13(3)8-10-14/h6-7,14,16H,5,8-11H2,1-4H3/t14-,15+/m1/s1 |
| Standard InCHIKey | RGZSQWQPBWRIAQ-CABCVRRESA-N |
| External Identifiers | ChEMBL [CHEMBL1096927]; PubChem [442343]; |
| Reference of Component-Ingredient Pair | N/A |
Occurrence of the ingredient across TCM components
| Component ID | Latin Name | Pinyin Name | Chinese Name |
|---|---|---|---|
| TCMH1063 | Curcuma longa | Jiang Huang | 姜黄 |
| TCMH1127 | Lonicera japonica | Jin Yin Hua | 金银花 |
| TCMH1128 | Lonicera japonica | Jin Yin Hua Ti Qu Ye | 金银花提取液 |
| TCMH1165 | Murraya paniculata | Jiu Li Xiang | 九里香 |
| TCMH12 | Artemisia argyi | Ai Ye | 艾叶 |
| TCMH13 | Artemisia argyi | Ai Ye You | 艾叶油 |
| TCMH1437 | Rhododendron dauricum | Man Shan Hong | 满山红 |
| TCMH1714 | Lonicera japonica | Ren Dong Teng | 忍冬藤 |
| TCMH1721 | Panax ginseng | Ren Shen | 人参 |
| TCMH1728 | Panax ginseng | Ren Shen Ye | 人参叶 |
Showing 1 to 10 of 38 entries
Ingredient ID: TCMC667
Formula: C30H50O
Ingredient ID: TCMC667
| Common Name | Alpha-Amyrin |
| IUPAC Name | (3S,4aR,6aR,6bS,8aR,11R,12S,12aR,14aR,14bR)-4,4,6a,6b,8a,11,12,14b-octamethyl-2,3,4a,5,6,7,8,9,10,11,12,12a,14,14a-tetradecahydro-1H-picen-3-ol |
| Canonical SMILES | C[C@@H]1CC[C@]2([C@@H]([C@H]1C)C1=CC[C@H]3[C@@]([C@@]1(CC2)C)(C)CC[C@@H]1[C@]3(C)CC[C@@H](C1(C)C)O)C |
| Standard InCHI | InChI=1S/C30H50O/c1-19-11-14-27(5)17-18-29(7)21(25(27)20(19)2)9-10-23-28(6)15-13-24(31)26(3,4)22(28)12-16-30(23,29)8/h9,19-20,22-25,31H,10-18H2,1-8H3/t19-,20+,22+,23-,24+,25+,27-,28+,29-,30-/m1/s1 |
| Standard InCHIKey | FSLPMRQHCOLESF-SFMCKYFRSA-N |
| External Identifiers | ChEMBL [CHEMBL455357]; PubChem [73170]; |
| Reference of Component-Ingredient Pair | 22782538 |
Occurrence of the ingredient across TCM components
| Component ID | Latin Name | Pinyin Name | Chinese Name |
|---|---|---|---|
| TCMH1017 | Oxytropis myriophylla | Ji Dou | 棘豆 |
| TCMH1175 | Cornus officinalis | Jiu Yu Rou | 酒萸肉 |
| TCMH12 | Artemisia argyi | Ai Ye | 艾叶 |
| TCMH123 | Pteris semipinnata | Ban Bian Qi | 半边旗 |
| TCMH13 | Artemisia argyi | Ai Ye You | 艾叶油 |
| TCMH1431 | Vitex trifolia | Man Jing Ye | 蔓荆叶 |
| TCMH1432 | Vitex trifolia | Man Jing Zi | 蔓荆子 |
| TCMH1448 | Mangifera indica | Mang Guo Ye | 芒果叶 |
| TCMH1660 | Senecio scandens | Qian Li Guang | 千里光 |
| TCMH1683 | Canarium album | Qing Guo | 青果 |
Showing 1 to 10 of 19 entries
Ingredient ID: TCMC6627
Formula: C15H24
Ingredient ID: TCMC6627
| Common Name | Α-Copaene |
| IUPAC Name | (1R,6S,7S)-1,3-dimethyl-8-propan-2-yltricyclo[4.4.0.02,7]dec-3-ene |
| Canonical SMILES | CC(C1CC[C@@]2([C@@H]3[C@H]1C2C(=CC3)C)C)C |
| Standard InCHI | InChI=1S/C15H24/c1-9(2)11-7-8-15(4)12-6-5-10(3)14(15)13(11)12/h5,9,11-14H,6-8H2,1-4H3/t11?,12-,13-,14?,15+/m0/s1 |
| Standard InCHIKey | VLXDPFLIRFYIME-PLWLXLEKSA-N |
| External Identifiers | ChEMBL [N/A]; PubChem [25245021]; |
| Reference of Component-Ingredient Pair | 9442047 |
Occurrence of the ingredient across TCM components
Ingredient ID: TCMC6561
Formula: C10H18O
Ingredient ID: TCMC6561
| Common Name | Camphene Hydrate |
| IUPAC Name | 2,2-dimethyl-3-methylidenebicyclo[2.2.1]heptane;hydrate |
| Canonical SMILES | C=C1C2CCC(C1(C)C)C2.O |
| Standard InCHI | InChI=1S/C10H16.H2O/c1-7-8-4-5-9(6-8)10(7,2)3;/h8-9H,1,4-6H2,2-3H3;1H2 |
| Standard InCHIKey | CIPMFUYUYFTHPO-UHFFFAOYSA-N |
| External Identifiers | ChEMBL [N/A]; PubChem [22155067]; |
| Reference of Component-Ingredient Pair | N/A |
Occurrence of the ingredient across TCM components
Ingredient ID: TCMC648
Formula: C2H6O
Ingredient ID: TCMC648
| Common Name | Alcohol |
| IUPAC Name | ethanol |
| Canonical SMILES | CCO |
| Standard InCHI | InChI=1S/C2H6O/c1-2-3/h3H,2H2,1H3 |
| Standard InCHIKey | LFQSCWFLJHTTHZ-UHFFFAOYSA-N |
| External Identifiers | ChEMBL [CHEMBL545]; PubChem [702]; |
| 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 |
| TCMH1343 | Aloe vera | Lu Hui | 芦荟 |
| 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 |
| TCMH1839 | Panax ginseng | Shan Shen | 山参 |
| TCMH2059 | Radix pseudostellariae | Tai Zi Shen | 太子参 |
| TCMH2710 | Homo sapiens | Zi He Che | 紫河车 |
| TCMH382 | Allium sativum | Da Suan | 大蒜 |
Showing 1 to 10 of 12 entries
Ingredient ID: TCMC6336
Formula: C32H52O2
Ingredient ID: TCMC6336
| Common Name | Cycloardenyl Acetate |
| IUPAC Name | [(1R,3R,6S,8R,11S,12S,15R,16R)-7,7,12,16-tetramethyl-15-[(2R)-6-methylhept-5-en-2-yl]-6-pentacyclo[9.7.0.01,3.03,8.012,16]octadecanyl] acetate |
| Canonical SMILES | CC(=CCC[C@H]([C@H]1CC[C@@]2([C@]1(C)CC[C@]13[C@H]2CC[C@@H]2[C@]3(C1)CC[C@@H](C2(C)C)OC(=O)C)C)C)C |
| Standard InCHI | InChI=1S/C32H52O2/c1-21(2)10-9-11-22(3)24-14-16-30(8)26-13-12-25-28(5,6)27(34-23(4)33)15-17-31(25)20-32(26,31)19-18-29(24,30)7/h10,22,24-27H,9,11-20H2,1-8H3/t22-,24-,25+,26+,27+,29-,30+,31-,32-/m1/s1 |
| Standard InCHIKey | PQNTWKDHNSWVPU-ZKVYRWFYSA-N |
| External Identifiers | ChEMBL [N/A]; PubChem [17750996]; |
| Reference of Component-Ingredient Pair | N/A |
Occurrence of the ingredient across TCM components
Ingredient ID: TCMC6265
Formula: C10H16
Ingredient ID: TCMC6265
| Common Name | 2,4(8)-P-Menthadiene |
| IUPAC Name | (3R)-3-methyl-6-propan-2-ylidenecyclohexene |
| Canonical SMILES | C[C@@H]1CCC(=C(C)C)C=C1 |
| Standard InCHI | InChI=1S/C10H16/c1-8(2)10-6-4-9(3)5-7-10/h4,6,9H,5,7H2,1-3H3/t9-/m0/s1 |
| Standard InCHIKey | CIPXOBMYVWRNLL-VIFPVBQESA-N |
| External Identifiers | ChEMBL [N/A]; PubChem [15564402]; |
| Reference of Component-Ingredient Pair | US2015011749 |
Occurrence of the ingredient across TCM components
Ingredient ID: TCMC6260
Formula: C15H24
Ingredient ID: TCMC6260
| Common Name | Α-Guriunene |
| IUPAC Name | (1aR,4R,4aR,7bS)-1,1,4,7-tetramethyl-1a,2,3,4,4a,5,6,7b-octahydrocyclopropa[e]azulene |
| Canonical SMILES | C[C@@H]1CC[C@@H]2[C@H](C3=C(CC[C@H]13)C)C2(C)C |
| Standard InCHI | InChI=1S/C15H24/c1-9-6-8-12-14(15(12,3)4)13-10(2)5-7-11(9)13/h9,11-12,14H,5-8H2,1-4H3/t9-,11-,12-,14-/m1/s1 |
| Standard InCHIKey | SPCXZDDGSGTVAW-XIDUGBJDSA-N |
| External Identifiers | ChEMBL [N/A]; PubChem [15560276]; |
| Reference of Component-Ingredient Pair | 24271813 |
Occurrence of the ingredient across TCM components
Ingredient ID: TCMC6156
Formula: C17H18
Ingredient ID: TCMC6156
| Common Name | Heptadec-1,7,9-Trien-11,13,15-Triyne |
| IUPAC Name | (7E,9E)-heptadeca-1,7,9-trien-11,13,15-triyne |
| Canonical SMILES | C=CCCCC/C=C/C=C/C#CC#CC#CC |
| Standard InCHI | InChI=1S/C17H18/c1-3-5-7-9-11-13-15-17-16-14-12-10-8-6-4-2/h3,13,15-17H,1,5,7,9,11H2,2H3/b15-13+,17-16+ |
| Standard InCHIKey | LEQCZKIMKYGCIQ-TZSXFDEBSA-N |
| External Identifiers | ChEMBL [N/A]; PubChem [14409592]; |
| Reference of Component-Ingredient Pair | N/A |
Occurrence of the ingredient across TCM components
Ingredient ID: TCMC6139
Formula: C10H14O
Ingredient ID: TCMC6139
| Common Name | 3,6,6-Trimethyl-2,4-Cycloheptadien-1-One |
| IUPAC Name | 3,6,6-trimethylcyclohepta-2,4-dien-1-one |
| Canonical SMILES | O=C1C=C(C)C=CC(C1)(C)C |
| Standard InCHI | InChI=1S/C10H14O/c1-8-4-5-10(2,3)7-9(11)6-8/h4-6H,7H2,1-3H3 |
| Standard InCHIKey | ZANCPCGYQSRSLK-UHFFFAOYSA-N |
| External Identifiers | ChEMBL [N/A]; PubChem [14314225]; |
| Reference of Component-Ingredient Pair | N/A |
Occurrence of the ingredient across TCM components
Ingredient ID: TCMC612
Formula: C3H6O
Ingredient ID: TCMC612
| Common Name | Acetone |
| IUPAC Name | propan-2-one |
| Canonical SMILES | CC(=O)C |
| Standard InCHI | InChI=1S/C3H6O/c1-3(2)4/h1-2H3 |
| Standard InCHIKey | CSCPPACGZOOCGX-UHFFFAOYSA-N |
| External Identifiers | ChEMBL [CHEMBL14253]; PubChem [180]; |
| Reference of Component-Ingredient Pair | 22964031 |
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 |
| TCMH1343 | Aloe vera | Lu Hui | 芦荟 |
| TCMH1734 | Homo sapiens | Ren Zhong Bai | 人中白 |
| TCMH1903 | Zingiber officinale | Sheng Jiang | 生姜 |
| TCMH2211 | Artemisia princeps | Wu Yue Ai | 五月艾 |
| TCMH2710 | Homo sapiens | Zi He Che | 紫河车 |
| TCMH382 | Allium sativum | Da Suan | 大蒜 |
Showing 1 to 8 of 8 entries
Ingredient ID: TCMC6082
Formula: C15H24
Ingredient ID: TCMC6082
| Common Name | Γ-Humulene |
| IUPAC Name | (1Z,6E)-1,8,8-trimethyl-5-methylidenecycloundeca-1,6-diene |
| Canonical SMILES | C=C1CC/C=C(/C)CCCC(/C=C/1)(C)C |
| Standard InCHI | InChI=1S/C15H24/c1-13-7-5-8-14(2)10-12-15(3,4)11-6-9-13/h7,10,12H,2,5-6,8-9,11H2,1,3-4H3/b12-10+,13-7- |
| Standard InCHIKey | FNXUOGPQAOCFKU-RYKBTYGJSA-N |
| External Identifiers | ChEMBL [N/A]; PubChem [14038477]; |
| Reference of Component-Ingredient Pair | 29224178 |
Occurrence of the ingredient across TCM components
Ingredient ID: TCMC603
Formula: C20H30O2
Ingredient ID: TCMC603
| Common Name | Abietic Acid |
| IUPAC Name | (1R,4aR,4bR,10aR)-1,4a-dimethyl-7-propan-2-yl-2,3,4,4b,5,6,10,10a-octahydrophenanthrene-1-carboxylic acid |
| Canonical SMILES | CC(C1=CC2=CC[C@@H]3[C@]([C@H]2CC1)(C)CCC[C@@]3(C)C(=O)O)C |
| Standard InCHI | InChI=1S/C20H30O2/c1-13(2)14-6-8-16-15(12-14)7-9-17-19(16,3)10-5-11-20(17,4)18(21)22/h7,12-13,16-17H,5-6,8-11H2,1-4H3,(H,21,22)/t16-,17+,19+,20+/m0/s1 |
| Standard InCHIKey | RSWGJHLUYNHPMX-ONCXSQPRSA-N |
| External Identifiers | ChEMBL [CHEMBL71893]; PubChem [10569]; |
| Reference of Component-Ingredient Pair | 21941891 |
Occurrence of the ingredient across TCM components
| Component ID | Latin Name | Pinyin Name | Chinese Name |
|---|---|---|---|
| TCMH1025 | Loropetalum chinense | Ji Mu Ye Jin Gao | 继木叶浸膏 |
| TCMH12 | Artemisia argyi | Ai Ye | 艾叶 |
| TCMH13 | Artemisia argyi | Ai Ye You | 艾叶油 |
| TCMH1348 | Liquidambar formosana | Lu Lu Tong | 路路通 |
| TCMH1417 | Pinus massoniana | Ma Wei Song Gen | 马尾松根 |
| TCMH1418 | Pinus massoniana | Ma Wei Song Shu Gen | 马尾松树根 |
| TCMH2033 | Pinus massoniana | Song Xiang | 松香 |
| TCMH2035 | Pinus massoniana | Song Zhi | 松脂 |
| TCMH2200 | Firmiana simplex | Wu Tong Ye Jin Gao | 梧桐叶浸膏 |
| TCMH592 | Liquidambar formosana | Feng Xiang Ye | 枫香叶 |
Showing 1 to 10 of 11 entries
Ingredient ID: TCMC5965
Formula: C10H16
Ingredient ID: TCMC5965
| Common Name | 4(10)-Thujene,Α-Thujene |
| IUPAC Name | (1S)-2-methyl-5-propan-2-ylbicyclo[3.1.0]hex-2-ene |
| Canonical SMILES | CC1=CCC2([C@H]1C2)C(C)C |
| Standard InCHI | InChI=1S/C10H16/c1-7(2)10-5-4-8(3)9(10)6-10/h4,7,9H,5-6H2,1-3H3/t9-,10?/m0/s1 |
| Standard InCHIKey | KQAZVFVOEIRWHN-RGURZIINSA-N |
| External Identifiers | ChEMBL [N/A]; PubChem [12444322]; |
| Reference of Component-Ingredient Pair | N/A |
Occurrence of the ingredient across TCM components
Ingredient ID: TCMC5958
Formula: C30H50O
Ingredient ID: TCMC5958
| Common Name | Simiarenol |
| IUPAC Name | (3R,3aR,5aR,5bS,9S,11aS,11bR,13aS,13bR)-3a,5a,8,8,11b,13a-hexamethyl-3-propan-2-yl-1,2,3,4,5,5b,6,9,10,11,11a,12,13,13b-tetradecahydrocyclopenta[a]chrysen-9-ol |
| Canonical SMILES | CC([C@H]1CC[C@@H]2[C@]1(C)CC[C@]1([C@@]2(C)CC[C@@]2([C@@H]1CC=C1[C@H]2CC[C@@H](C1(C)C)O)C)C)C |
| Standard InCHI | InChI=1S/C30H50O/c1-19(2)20-9-12-23-27(20,5)15-17-30(8)24-13-10-21-22(11-14-25(31)26(21,3)4)28(24,6)16-18-29(23,30)7/h10,19-20,22-25,31H,9,11-18H2,1-8H3/t20-,22-,23-,24+,25+,27-,28+,29+,30-/m1/s1 |
| Standard InCHIKey | XVXPXUMUGATHPD-JMJRLLIOSA-N |
| External Identifiers | ChEMBL [N/A]; PubChem [12442794]; |
| Reference of Component-Ingredient Pair | 21294076 |
Occurrence of the ingredient across TCM components
Ingredient ID: TCMC5931
Formula: C15H24
Ingredient ID: TCMC5931
| Common Name | Γ-Muurolene |
| IUPAC Name | (1S,4aS,8aR)-7-methyl-4-methylidene-1-propan-2-yl-2,3,4a,5,6,8a-hexahydro-1H-naphthalene |
| Canonical SMILES | CC1=C[C@@H]2[C@H](CC1)C(=C)CC[C@H]2C(C)C |
| Standard InCHI | InChI=1S/C15H24/c1-10(2)13-8-6-12(4)14-7-5-11(3)9-15(13)14/h9-10,13-15H,4-8H2,1-3H3/t13-,14+,15-/m0/s1 |
| Standard InCHIKey | WRHGORWNJGOVQY-ZNMIVQPWSA-N |
| External Identifiers | ChEMBL [N/A]; PubChem [12313020]; |
| Reference of Component-Ingredient Pair | N/A |
Occurrence of the ingredient across TCM components
Ingredient ID: TCMC5903
Formula: C15H24
Ingredient ID: TCMC5903
| Common Name | (1S,4As,8Ar)-1-Isopropyl-4,7-Dimethyl-1,2,4A,5,6,8A-Hexahydronaphthalene,Α-Muurolene |
| IUPAC Name | (1S,4aS,8aR)-4,7-dimethyl-1-propan-2-yl-1,2,4a,5,6,8a-hexahydronaphthalene |
| Canonical SMILES | CC1=C[C@@H]2[C@H](CC1)C(=CC[C@H]2C(C)C)C |
| Standard InCHI | InChI=1S/C15H24/c1-10(2)13-8-6-12(4)14-7-5-11(3)9-15(13)14/h6,9-10,13-15H,5,7-8H2,1-4H3/t13-,14+,15-/m0/s1 |
| Standard InCHIKey | QMAYBMKBYCGXDH-ZNMIVQPWSA-N |
| External Identifiers | ChEMBL [N/A]; PubChem [12306047]; |
| Reference of Component-Ingredient Pair | N/A |
Occurrence of the ingredient across TCM components
Ingredient ID: TCMC5897
Formula: C30H50O
Ingredient ID: TCMC5897
| Common Name | Fernenol |
| IUPAC Name | (3R,3aR,5aR,5bR,7aR,9S,11aS,13aS,13bR)-3a,5a,8,8,11a,13a-hexamethyl-3-propan-2-yl-1,2,3,4,5,5b,6,7,7a,9,10,11,13,13b-tetradecahydrocyclopenta[a]chrysen-9-ol |
| Canonical SMILES | CC([C@H]1CC[C@@H]2[C@]1(C)CC[C@]1([C@@]2(C)CC=C2[C@@H]1CC[C@@H]1[C@]2(C)CC[C@@H](C1(C)C)O)C)C |
| Standard InCHI | InChI=1S/C30H50O/c1-19(2)20-9-12-24-28(20,6)17-18-29(7)22-10-11-23-26(3,4)25(31)14-15-27(23,5)21(22)13-16-30(24,29)8/h13,19-20,22-25,31H,9-12,14-18H2,1-8H3/t20-,22+,23+,24-,25+,27-,28-,29-,30+/m1/s1 |
| Standard InCHIKey | VWYANPOOORUCFJ-YHEBVWOXSA-N |
| External Identifiers | ChEMBL [N/A]; PubChem [12305178]; |
| Reference of Component-Ingredient Pair | 12776495 |
Occurrence of the ingredient across TCM components
Ingredient ID: TCMC5895
Formula: C10H16O
Ingredient ID: TCMC5895
| Common Name | 1-Thujone |
| IUPAC Name | (1S,4R,5S)-4-methyl-1-propan-2-ylbicyclo[3.1.0]hexan-3-one |
| Canonical SMILES | O=C1C[C@]2([C@H]([C@H]1C)C2)C(C)C |
| Standard InCHI | InChI=1S/C10H16O/c1-6(2)10-4-8(10)7(3)9(11)5-10/h6-8H,4-5H2,1-3H3/t7-,8+,10+/m1/s1 |
| Standard InCHIKey | USMNOWBWPHYOEA-WEDXCCLWSA-N |
| External Identifiers | ChEMBL [N/A]; PubChem [12304613]; |
| Reference of Component-Ingredient Pair | 12571912 |
Occurrence of the ingredient across TCM components
Ingredient ID: TCMC579
Formula: C7H14O6
Ingredient ID: TCMC579
| Common Name | 6-Methoxycyclohexane-1,2,3,4,5-Pentol |
| IUPAC Name | 6-methoxycyclohexane-1,2,3,4,5-pentol |
| Canonical SMILES | COC1C(O)C(O)C(C(C1O)O)O |
| Standard InCHI | InChI=1S/C7H14O6/c1-13-7-5(11)3(9)2(8)4(10)6(7)12/h2-12H,1H3 |
| Standard InCHIKey | DSCFFEYYQKSRSV-UHFFFAOYSA-N |
| External Identifiers | ChEMBL [CHEMBL171890]; PubChem [230881]; |
| 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 |
| TCMH1214 | Picrasma quassioides | Ku Mu | 苦木 |
| TCMH13 | Artemisia argyi | Ai Ye You | 艾叶油 |
| TCMH314 | Ailanthus altissima | Chun Gen Pi | 椿根皮 |
| TCMH981 | Astragalus membranaceus | Huang Qi | 黄芪 |
| TCMH983 | Astragalus membranaceus | Huang Qi Gan Jin Gao | 黄芪干浸膏 |
| TCMH984 | Astragalus membranaceus | Huang Qi Jin Gao | 黄芪浸膏 |
| TCMH985 | Astragalus membranaceus | Huang Qi Ti Qu Ye | 黄芪提取液 |
Showing 1 to 8 of 8 entries
Ingredient ID: TCMC5701
Formula: C11H18O4
Ingredient ID: TCMC5701
| Common Name | Phenylitaconic Acid |
| IUPAC Name | 2-hexyl-3-methylidenebutanedioic acid |
| Canonical SMILES | CCCCCCC(C(=C)C(=O)[O-])C(=O)[O-] |
| Standard InCHI | InChI=1S/C11H18O4/c1-3-4-5-6-7-9(11(14)15)8(2)10(12)13/h9H,2-7H2,1H3,(H,12,13)(H,14,15)/p-2 |
| Standard InCHIKey | HKMDCNSGDQBQLI-UHFFFAOYSA-L |
| External Identifiers | ChEMBL [CHEMBL199341]; PubChem [11447214]; |
| Reference of Component-Ingredient Pair | 21212560 |
Occurrence of the ingredient across TCM components
Ingredient ID: TCMC550
Formula: C19H18O7
Ingredient ID: TCMC550
| Common Name | 5-Hydroxy-6,7,3',4'-Tetramethoxyflavone |
| IUPAC Name | 2-(3,4-dimethoxyphenyl)-5-hydroxy-6,7-dimethoxychromen-4-one |
| Canonical SMILES | COc1ccc(cc1OC)c1cc(=O)c2c(o1)cc(c(c2O)OC)OC |
| Standard InCHI | InChI=1S/C19H18O7/c1-22-12-6-5-10(7-14(12)23-2)13-8-11(20)17-15(26-13)9-16(24-3)19(25-4)18(17)21/h5-9,21H,1-4H3 |
| Standard InCHIKey | QEWSAPKRFOFQIU-UHFFFAOYSA-N |
| External Identifiers | ChEMBL [CHEMBL226508]; PubChem [152430]; |
| Reference of Component-Ingredient Pair | 22980787 |
Occurrence of the ingredient across TCM components
| Component ID | Latin Name | Pinyin Name | Chinese Name |
|---|---|---|---|
| TCMH1146 | Oryza sativa | Jing Mi | 粳米 |
| TCMH1165 | Murraya paniculata | Jiu Li Xiang | 九里香 |
| 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 |
| TCMH2201 | Securidaca inappendiculata | Wu Wei Teng | 五味藤 |
| TCMH2452 | Chrysanthemum indicum | Ye Ju Hua | 野菊花 |
| TCMH863 | Salvia prionitis | Hong Gen Cao | 红根草 |
Showing 1 to 9 of 9 entries
Ingredient ID: TCMC5365
Formula: C17H14O7
Ingredient ID: TCMC5365
| Common Name | 5,6,4'-Trihydroxy-7,3'-Dimethoxyflavone |
| IUPAC Name | 5,6-dihydroxy-2-(4-hydroxy-3-methoxyphenyl)-7-methoxychromen-4-one |
| Canonical SMILES | COc1cc(ccc1O)c1cc(=O)c2c(o1)cc(c(c2O)O)OC |
| Standard InCHI | InChI=1S/C17H14O7/c1-22-12-5-8(3-4-9(12)18)11-6-10(19)15-13(24-11)7-14(23-2)16(20)17(15)21/h3-7,18,20-21H,1-2H3 |
| Standard InCHIKey | LRUIASUJJNMESX-UHFFFAOYSA-N |
| External Identifiers | ChEMBL [N/A]; PubChem [10359254]; |
| Reference of Component-Ingredient Pair | 19795881 |
Occurrence of the ingredient across TCM components
Ingredient ID: TCMC5325
Formula: C15H24
Ingredient ID: TCMC5325
| Common Name | (S)-1-Methyl-4-(6-Methylhepta-1,5-Dien-2-Yl)Cyclohex-1-Ene,Β-Bisabolene |
| IUPAC Name | (4S)-1-methyl-4-(6-methylhepta-1,5-dien-2-yl)cyclohexene |
| Canonical SMILES | CC(=CCCC(=C)[C@H]1CCC(=CC1)C)C |
| Standard InCHI | InChI=1S/C15H24/c1-12(2)6-5-7-14(4)15-10-8-13(3)9-11-15/h6,8,15H,4-5,7,9-11H2,1-3H3/t15-/m1/s1 |
| Standard InCHIKey | XZRVRYFILCSYSP-OAHLLOKOSA-N |
| External Identifiers | ChEMBL [CHEMBL1077088]; PubChem [10104370]; |
| Reference of Component-Ingredient Pair | 15075399 |
Occurrence of the ingredient across TCM components
| Component ID | Latin Name | Pinyin Name | Chinese Name |
|---|---|---|---|
| TCMH12 | Artemisia argyi | Ai Ye | 艾叶 |
| TCMH1721 | Panax ginseng | Ren Shen | 人参 |
| TCMH1803 | Amomum villosum | Sha Ren | 砂仁 |
| TCMH1866 | Cnidium monnieri | She Chuang Zi | 蛇床子 |
| TCMH1903 | Zingiber officinale | Sheng Jiang | 生姜 |
| TCMH2202 | Schisandra chinensis | Wu Wei Zi | 五味子 |
| TCMH2241 | Panax quinquefolium | Xi Yang Shen | 西洋参 |
| TCMH33 | Illicium verum | Ba Jiao Hui Xiang | 八角茴香 |
| TCMH421 | Angelica sinensis | Dang Gui | 当归 |
| TCMH517 | Angelica pubescens | Du Huo | 独活 |
Showing 1 to 10 of 12 entries
Ingredient ID: TCMC5305
Formula: C30H48O
Ingredient ID: TCMC5305
| Common Name | Glutinone |
| IUPAC Name | (6aS,6aS,6bR,8aR,12aR,14aR,14bS)-4,4,6a,6b,8a,11,11,14a-octamethyl-2,6,6a,7,8,9,10,12,12a,13,14,14b-dodecahydro-1H-picen-3-one |
| Canonical SMILES | O=C1CC[C@@H]2C(=CC[C@H]3[C@@]2(C)CC[C@@]2([C@]3(C)CC[C@@]3([C@H]2CC(C)(C)CC3)C)C)C1(C)C |
| Standard InCHI | InChI=1S/C30H48O/c1-25(2)13-14-27(5)15-17-29(7)22-11-9-20-21(10-12-24(31)26(20,3)4)28(22,6)16-18-30(29,8)23(27)19-25/h9,21-23H,10-19H2,1-8H3/t21-,22+,23-,27-,28+,29-,30+/m1/s1 |
| Standard InCHIKey | XUPCBKGIPJPDGW-VZTATICASA-N |
| External Identifiers | ChEMBL [CHEMBL517609]; PubChem [10071029]; |
| Reference of Component-Ingredient Pair | 26178652 |
Occurrence of the ingredient across TCM components
Ingredient ID: TCMC5291
Formula: C18H16O7
Ingredient ID: TCMC5291
| Common Name | 5,6-Dihydroxy-7,3',4'-Trimethoxyflavone |
| IUPAC Name | 2-(3,4-dimethoxyphenyl)-5,6-dihydroxy-7-methoxychromen-4-one |
| Canonical SMILES | COc1cc(ccc1OC)c1cc(=O)c2c(o1)cc(c(c2O)O)OC |
| Standard InCHI | InChI=1S/C18H16O7/c1-22-11-5-4-9(6-13(11)23-2)12-7-10(19)16-14(25-12)8-15(24-3)17(20)18(16)21/h4-8,20-21H,1-3H3 |
| Standard InCHIKey | QIEMGQKOGFTYLN-UHFFFAOYSA-N |
| External Identifiers | ChEMBL [N/A]; PubChem [10020367]; |
| Reference of Component-Ingredient Pair | 12677524 |
Occurrence of the ingredient across TCM components
Ingredient ID: TCMC5189
Formula: C8H16O
Ingredient ID: TCMC5189
| Common Name | Matsutake Alcohol,Matsutakeol |
| IUPAC Name | (3R)-oct-1-en-3-ol |
| Canonical SMILES | CCCCC[C@H](C=C)O |
| Standard InCHI | InChI=1S/C8H16O/c1-3-5-6-7-8(9)4-2/h4,8-9H,2-3,5-7H2,1H3/t8-/m0/s1 |
| Standard InCHIKey | VSMOENVRRABVKN-QMMMGPOBSA-N |
| External Identifiers | ChEMBL [CHEMBL1230177]; PubChem [6992244]; |
| Reference of Component-Ingredient Pair | 23642231 |
Occurrence of the ingredient across TCM components
Ingredient ID: TCMC5180
Formula: C6H12O2
Ingredient ID: TCMC5180
| Common Name | 2-Methanol Tetrahydropyran |
| IUPAC Name | [(2S)-oxan-2-yl]methanol |
| Canonical SMILES | OC[C@@H]1CCCCO1 |
| Standard InCHI | InChI=1S/C6H12O2/c7-5-6-3-1-2-4-8-6/h6-7H,1-5H2/t6-/m0/s1 |
| Standard InCHIKey | ROTONRWJLXYJBD-LURJTMIESA-N |
| External Identifiers | ChEMBL [N/A]; PubChem [6950811]; |
| Reference of Component-Ingredient Pair | US2017326128 |
Occurrence of the ingredient across TCM components
Ingredient ID: TCMC5086
Formula: C15H24
Ingredient ID: TCMC5086
| Common Name | (1S,2S)-2-Isopropenyl-4-Isopropylidene-1-Methyl-1-Vinylcyclohexane,Γ-Elemene |
| IUPAC Name | (1S,2S)-1-ethenyl-1-methyl-4-propan-2-ylidene-2-prop-1-en-2-ylcyclohexane |
| Canonical SMILES | C=C[C@]1(C)CCC(=C(C)C)C[C@H]1C(=C)C |
| Standard InCHI | InChI=1S/C15H24/c1-7-15(6)9-8-13(11(2)3)10-14(15)12(4)5/h7,14H,1,4,8-10H2,2-3,5-6H3/t14-,15+/m0/s1 |
| Standard InCHIKey | BQSLMQNYHVFRDT-LSDHHAIUSA-N |
| External Identifiers | ChEMBL [N/A]; PubChem [6432312]; |
| Reference of Component-Ingredient Pair | 17873868 |
Occurrence of the ingredient across TCM components
| Component ID | Latin Name | Pinyin Name | Chinese Name |
|---|---|---|---|
| TCMH12 | Artemisia argyi | Ai Ye | 艾叶 |
| TCMH1437 | Rhododendron dauricum | Man Shan Hong | 满山红 |
| TCMH1721 | Panax ginseng | Ren Shen | 人参 |
| TCMH1768 | Panax notoginseng | San Qi | 三七 |
| TCMH1903 | Zingiber officinale | Sheng Jiang | 生姜 |
| TCMH877 | Radix ginseng rubra | Hong Shen | 红参 |
Showing 1 to 6 of 6 entries
Ingredient ID: TCMC5083
Formula: C15H26O
Ingredient ID: TCMC5083
| Common Name | Δ-Cadinol |
| IUPAC Name | (1S,4S)-1,6-dimethyl-4-propan-2-yl-3,4,4a,7,8,8a-hexahydro-2H-naphthalen-1-ol |
| Canonical SMILES | CC1=CC2C(CC1)[C@@](C)(O)CC[C@H]2C(C)C |
| Standard InCHI | InChI=1S/C15H26O/c1-10(2)12-7-8-15(4,16)14-6-5-11(3)9-13(12)14/h9-10,12-14,16H,5-8H2,1-4H3/t12-,13?,14?,15-/m0/s1 |
| Standard InCHIKey | LHYHMMRYTDARSZ-PPWQZUPISA-N |
| External Identifiers | ChEMBL [N/A]; PubChem [6432221]; |
| Reference of Component-Ingredient Pair | 28916455 |
Occurrence of the ingredient across TCM components
Ingredient ID: TCMC5020
Formula: C18H16O8
Ingredient ID: TCMC5020
| Common Name | 5,7,3'-Trihydroxy-6,4',5'-Trimethoxyflavone |
| IUPAC Name | 5,7-dihydroxy-2-(3-hydroxy-4,5-dimethoxyphenyl)-6-methoxychromen-4-one |
| Canonical SMILES | COc1c(O)cc(cc1OC)c1cc(=O)c2c(o1)cc(c(c2O)OC)O |
| Standard InCHI | InChI=1S/C18H16O8/c1-23-14-5-8(4-10(20)17(14)24-2)12-6-9(19)15-13(26-12)7-11(21)18(25-3)16(15)22/h4-7,20-22H,1-3H3 |
| Standard InCHIKey | PMBOOVZSTMWOFS-UHFFFAOYSA-N |
| External Identifiers | ChEMBL [N/A]; PubChem [5496475]; |
| Reference of Component-Ingredient Pair | 12677524 |
Occurrence of the ingredient across TCM components
Ingredient ID: TCMC4994
Formula: C30H50O2
Ingredient ID: TCMC4994
| Common Name | 9,19-Cycloart-23-Ene-3Β,25-Diol |
| IUPAC Name | (1S,3R,6S,8R,11S,12S,15R,16R)-15-[(E,2R)-6-hydroxy-6-methylhept-4-en-2-yl]-7,7,12,16-tetramethylpentacyclo[9.7.0.01,3.03,8.012,16]octadecan-6-ol |
| Canonical SMILES | C[C@@H]([C@H]1CC[C@@]2([C@]1(C)CC[C@@]13[C@H]2CC[C@@H]2[C@]3(C1)CC[C@@H](C2(C)C)O)C)C/C=C/C(O)(C)C |
| Standard InCHI | InChI=1S/C30H50O2/c1-20(9-8-14-25(2,3)32)21-12-15-28(7)23-11-10-22-26(4,5)24(31)13-16-29(22)19-30(23,29)18-17-27(21,28)6/h8,14,20-24,31-32H,9-13,15-19H2,1-7H3/b14-8+/t20-,21-,22+,23+,24+,27-,28+,29-,30+/m1/s1 |
| Standard InCHIKey | JSPGKOBNHWTKNT-CPGXJQKCSA-N |
| External Identifiers | ChEMBL [CHEMBL1641872]; PubChem [5470009]; |
| Reference of Component-Ingredient Pair | 24523756 |
Occurrence of the ingredient across TCM components
Ingredient ID: TCMC4959
Formula: C13H22O2
Ingredient ID: TCMC4959
| Common Name | Neryl Propionate |
| IUPAC Name | [(2Z)-3,7-dimethylocta-2,6-dienyl] propanoate |
| Canonical SMILES | CCC(=O)OC/C=C(CCC=C(C)C)/C |
| Standard InCHI | InChI=1S/C13H22O2/c1-5-13(14)15-10-9-12(4)8-6-7-11(2)3/h7,9H,5-6,8,10H2,1-4H3/b12-9- |
| Standard InCHIKey | BYCHQEILESTMQU-XFXZXTDPSA-N |
| External Identifiers | ChEMBL [N/A]; PubChem [5365982]; |
| Reference of Component-Ingredient Pair | 11413487 |
Occurrence of the ingredient across TCM components
Ingredient ID: TCMC4951
Formula: C8H14O2
Ingredient ID: TCMC4951
| Common Name | 3-Hexenyl Acetate |
| IUPAC Name | [(Z)-hex-3-enyl] acetate |
| Canonical SMILES | CC/C=CCCOC(=O)C |
| Standard InCHI | InChI=1S/C8H14O2/c1-3-4-5-6-7-10-8(2)9/h4-5H,3,6-7H2,1-2H3/b5-4- |
| Standard InCHIKey | NPFVOOAXDOBMCE-PLNGDYQASA-N |
| External Identifiers | ChEMBL [CHEMBL2251454]; PubChem [5363388]; |
| Reference of Component-Ingredient Pair | 29500752 |
Occurrence of the ingredient across TCM components
Ingredient ID: TCMC4950
Formula: C20H38O2
Ingredient ID: TCMC4950
| Common Name | Ethyl Oleate |
| IUPAC Name | ethyl (Z)-octadec-9-enoate |
| Canonical SMILES | CCCCCCCC/C=CCCCCCCCC(=O)OCC |
| Standard InCHI | InChI=1S/C20H38O2/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20(21)22-4-2/h11-12H,3-10,13-19H2,1-2H3/b12-11- |
| Standard InCHIKey | LVGKNOAMLMIIKO-QXMHVHEDSA-N |
| External Identifiers | ChEMBL [CHEMBL2106289]; PubChem [5363269]; |
| Reference of Component-Ingredient Pair | 22426740 |
Occurrence of the ingredient across TCM components
Ingredient ID: TCMC4935
Formula: C15H24
Ingredient ID: TCMC4935
| Common Name | Α-Bisabolene |
| IUPAC Name | 1-methyl-4-[(2Z)-6-methylhepta-2,5-dien-2-yl]cyclohexene |
| Canonical SMILES | CC(=CC/C=C(C1CCC(=CC1)C)/C)C |
| Standard InCHI | InChI=1S/C15H24/c1-12(2)6-5-7-14(4)15-10-8-13(3)9-11-15/h6-8,15H,5,9-11H2,1-4H3/b14-7- |
| Standard InCHIKey | YHBUQBJHSRGZNF-AUWJEWJLSA-N |
| External Identifiers | ChEMBL [N/A]; PubChem [5352653]; |
| Reference of Component-Ingredient Pair | 20044567 |
Occurrence of the ingredient across TCM components
Ingredient ID: TCMC4929
Formula: C10H18O
Ingredient ID: TCMC4929
| Common Name | (R)-P-Menth-1-En-4-Ol,Terpinen-4-Ol |
| IUPAC Name | (1R)-4-methyl-1-propan-2-ylcyclohex-3-en-1-ol |
| Canonical SMILES | CC1=CC[C@@](CC1)(O)C(C)C |
| Standard InCHI | InChI=1S/C10H18O/c1-8(2)10(11)6-4-9(3)5-7-10/h4,8,11H,5-7H2,1-3H3/t10-/m0/s1 |
| Standard InCHIKey | WRYLYDPHFGVWKC-JTQLQIEISA-N |
| External Identifiers | ChEMBL [CHEMBL2287509]; PubChem [5325830]; |
| Reference of Component-Ingredient Pair | 18536466 |
Occurrence of the ingredient across TCM components
| Component ID | Latin Name | Pinyin Name | Chinese Name |
|---|---|---|---|
| TCMH12 | Artemisia argyi | Ai Ye | 艾叶 |
| TCMH1272 | Forsythia suspensa | Lian Qiao | 连翘 |
| TCMH1397 | Aristolochia debilis | Ma Dou Ling | 马兜铃 |
| TCMH1665 | Notopterygium incisum | Qiang Huo | 羌活 |
| TCMH1741 | Myristica fragrans | Rou Dou Kou | 肉豆蔻 |
| TCMH1903 | Zingiber officinale | Sheng Jiang | 生姜 |
| TCMH2202 | Schisandra chinensis | Wu Wei Zi | 五味子 |
| TCMH2239 | Asarum sieboldii | Xi Xin | 细辛 |
| TCMH924 | Zanthoxylum bungeanum | Hua Jiao | 花椒 |
Showing 1 to 9 of 9 entries
Ingredient ID: TCMC4912
Formula: C15H24
Ingredient ID: TCMC4912
| Common Name | Caryophellene,Β-Elemene |
| IUPAC Name | (4Z)-4,11,11-trimethyl-8-methylidenebicyclo[7.2.0]undec-4-ene |
| Canonical SMILES | C/C/1=C/CCC(=C)C2C(CC1)C(C2)(C)C |
| Standard InCHI | InChI=1S/C15H24/c1-11-6-5-7-12(2)13-10-15(3,4)14(13)9-8-11/h6,13-14H,2,5,7-10H2,1,3-4H3/b11-6- |
| Standard InCHIKey | NPNUFJAVOOONJE-WDZFZDKYSA-N |
| External Identifiers | ChEMBL [N/A]; PubChem [5322111]; |
| Reference of Component-Ingredient Pair | 27716286 |
Occurrence of the ingredient across TCM components
Ingredient ID: TCMC4879
Formula: C14H14O
Ingredient ID: TCMC4879
| Common Name | Tetradec-8,10,12-Triyne-6-Ene-3-One |
| IUPAC Name | (Z)-tetradec-6-en-8,10,12-triyn-3-one |
| Canonical SMILES | CC#CC#CC#C/C=CCCC(=O)CC |
| Standard InCHI | InChI=1S/C14H14O/c1-3-5-6-7-8-9-10-11-12-13-14(15)4-2/h10-11H,4,12-13H2,1-2H3/b11-10- |
| Standard InCHIKey | FPCUXOLBEQHUKP-KHPPLWFESA-N |
| External Identifiers | ChEMBL [N/A]; PubChem [5321840]; |
| Reference of Component-Ingredient Pair | N/A |
Occurrence of the ingredient across TCM components
Ingredient ID: TCMC473
Formula: C10H16O
Ingredient ID: TCMC473
| Common Name | 4,7,7-Trimethylbicyclo[2.2.1]Heptan-3-One |
| IUPAC Name | 4,7,7-trimethylbicyclo[2.2.1]heptan-3-one |
| Canonical SMILES | O=C1CC2C(C1(C)CC2)(C)C |
| Standard InCHI | InChI=1S/C10H16O/c1-9(2)7-4-5-10(9,3)8(11)6-7/h7H,4-6H2,1-3H3 |
| Standard InCHIKey | DSSYKIVIOFKYAU-UHFFFAOYSA-N |
| External Identifiers | ChEMBL [CHEMBL15768]; PubChem [2537]; |
| Reference of Component-Ingredient Pair | 25636489 |
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 |
| TCMH1178 | Citrus reticulata | Ju He | 橘核 |
| TCMH1184 | Citrus reticulata | Ju Pi | 橘皮 |
| TCMH12 | Artemisia argyi | Ai Ye | 艾叶 |
| TCMH1272 | Forsythia suspensa | Lian Qiao | 连翘 |
| TCMH13 | Artemisia argyi | Ai Ye You | 艾叶油 |
| TCMH132 | Scutellaria barbata | Ban Zhi Lian | 半枝莲 |
| TCMH1343 | Aloe vera | Lu Hui | 芦荟 |
| TCMH1393 | Verbena officinalis | Ma Bian Cao | 马鞭草 |
Showing 1 to 10 of 54 entries
Ingredient ID: TCMC469
Formula: C25H24O12
Ingredient ID: TCMC469
| Common Name | 4,5-Dicaffeoylquinic Acid |
| IUPAC Name | (1R,3R,4S,5R)-3,4-bis[[(E)-3-(3,4-dihydroxyphenyl)prop-2-enoyl]oxy]-1,5-dihydroxycyclohexane-1-carboxylic acid |
| Canonical SMILES | O=C(O[C@H]1[C@H](O)C[C@](C[C@H]1OC(=O)/C=C/c1ccc(c(c1)O)O)(O)C(=O)O)/C=C/c1ccc(c(c1)O)O |
| Standard InCHI | InChI=1S/C25H24O12/c26-15-5-1-13(9-17(15)28)3-7-21(31)36-20-12-25(35,24(33)34)11-19(30)23(20)37-22(32)8-4-14-2-6-16(27)18(29)10-14/h1-10,19-20,23,26-30,35H,11-12H2,(H,33,34)/b7-3+,8-4+/t19-,20-,23+,25-/m1/s1 |
| Standard InCHIKey | UFCLZKMFXSILNL-RVXRWRFUSA-N |
| External Identifiers | ChEMBL [CHEMBL177126]; PubChem [6474309]; |
| Reference of Component-Ingredient Pair | 22701506 |
Occurrence of the ingredient across TCM components
| Component ID | Latin Name | Pinyin Name | Chinese Name |
|---|---|---|---|
| TCMH1033 | Centella asiatica | Ji Xue Cao | 积雪草 |
| TCMH1127 | Lonicera japonica | Jin Yin Hua | 金银花 |
| TCMH1128 | Lonicera japonica | Jin Yin Hua Ti Qu Ye | 金银花提取液 |
| TCMH1162 | Sarcandra glabra | Jiu Jie Cha | 九节茶 |
| TCMH12 | Artemisia argyi | Ai Ye | 艾叶 |
| TCMH1223 | Tussilago farfara | Kuan Dong Hua | 款冬花 |
| TCMH13 | Artemisia argyi | Ai Ye You | 艾叶油 |
| TCMH1483 | Tussilago farfara | Mi Kuan Dong Hua | 蜜款冬花 |
| TCMH1490 | Aster tataricus | Mi Zi Wan | 蜜紫菀 |
| TCMH1531 | Akebia quinata | Mu Tong | 木通 |
Showing 1 to 10 of 48 entries
Ingredient ID: TCMC4655
Formula: C11H10O5
Ingredient ID: TCMC4655
| Common Name | Isofraxidin,Phytodolor |
| IUPAC Name | 7-hydroxy-6,8-dimethoxychromen-2-one |
| Canonical SMILES | COc1c(O)c(OC)cc2c1oc(=O)cc2 |
| Standard InCHI | InChI=1S/C11H10O5/c1-14-7-5-6-3-4-8(12)16-10(6)11(15-2)9(7)13/h3-5,13H,1-2H3 |
| Standard InCHIKey | HOEVRHHMDJKUMZ-UHFFFAOYSA-N |
| External Identifiers | ChEMBL [CHEMBL451518]; PubChem [5318565]; |
| Reference of Component-Ingredient Pair | 24692054 |
Occurrence of the ingredient across TCM components
Ingredient ID: TCMC460
Formula: C4H8OS
Ingredient ID: TCMC460
| Common Name | 3-Methylsulfanylpropanal |
| IUPAC Name | 3-methylsulfanylpropanal |
| Canonical SMILES | CSCCC=O |
| Standard InCHI | InChI=1S/C4H8OS/c1-6-4-2-3-5/h3H,2,4H2,1H3 |
| Standard InCHIKey | CLUWOWRTHNNBBU-UHFFFAOYSA-N |
| External Identifiers | ChEMBL [CHEMBL333298]; PubChem [18635]; |
| Reference of Component-Ingredient Pair | N/A |
Occurrence of the ingredient across TCM components
| Component ID | Latin Name | Pinyin Name | Chinese Name |
|---|---|---|---|
| TCMH1000 | Foeniculum vulgare | Hui Xiang | 茴香 |
| TCMH12 | Artemisia argyi | Ai Ye | 艾叶 |
| TCMH13 | Artemisia argyi | Ai Ye You | 艾叶油 |
| TCMH1667 | Fagopyrum esculentum | Qiao Mai | 荞麦 |
| TCMH1734 | Homo sapiens | Ren Zhong Bai | 人中白 |
| TCMH2211 | Artemisia princeps | Wu Yue Ai | 五月艾 |
| TCMH2710 | Homo sapiens | Zi He Che | 紫河车 |
| TCMH382 | Allium sativum | Da Suan | 大蒜 |
Showing 1 to 8 of 8 entries
Ingredient ID: TCMC4441
Formula: C10H18O
Ingredient ID: TCMC4441
| Common Name | Yomogi Alcohol A |
| IUPAC Name | (3E)-2,5,5-trimethylhepta-3,6-dien-2-ol |
| Canonical SMILES | C=CC(/C=C/C(O)(C)C)(C)C |
| Standard InCHI | InChI=1S/C10H18O/c1-6-9(2,3)7-8-10(4,5)11/h6-8,11H,1H2,2-5H3/b8-7+ |
| Standard InCHIKey | CSMMFGCGBLZIJE-BQYQJAHWSA-N |
| External Identifiers | ChEMBL [N/A]; PubChem [5315406]; |
| Reference of Component-Ingredient Pair | 20397218 |
Occurrence of the ingredient across TCM components
Ingredient ID: TCMC4387
Formula: C20H36O2
Ingredient ID: TCMC4387
| Common Name | Ethyllinoleate |
| IUPAC Name | ethyl (9Z,12Z)-octadeca-9,12-dienoate |
| Canonical SMILES | CCCCC/C=CC/C=CCCCCCCCC(=O)OCC |
| Standard InCHI | InChI=1S/C20H36O2/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20(21)22-4-2/h8-9,11-12H,3-7,10,13-19H2,1-2H3/b9-8-,12-11- |
| Standard InCHIKey | FMMOOAYVCKXGMF-MURFETPASA-N |
| External Identifiers | ChEMBL [CHEMBL2106238]; PubChem [5282184]; |
| Reference of Component-Ingredient Pair | 28455796 |
Occurrence of the ingredient across TCM components
Ingredient ID: TCMC438
Formula: C22H34O4
Ingredient ID: TCMC438
| Common Name | 3Beta-Acetoxycopalic Acid |
| IUPAC Name | (E)-5-[(1S,4aR,6S,8aR)-6-acetyloxy-5,5,8a-trimethyl-2-methylidene-3,4,4a,6,7,8-hexahydro-1H-naphthalen-1-yl]-3-methylpent-2-enoic acid |
| Canonical SMILES | CC(=O)O[C@H]1CC[C@]2([C@H](C1(C)C)CCC(=C)[C@@H]2CC/C(=C/C(=O)O)/C)C |
| Standard InCHI | InChI=1S/C22H34O4/c1-14(13-20(24)25)7-9-17-15(2)8-10-18-21(4,5)19(26-16(3)23)11-12-22(17,18)6/h13,17-19H,2,7-12H2,1,3-6H3,(H,24,25)/b14-13+/t17-,18-,19-,22+/m0/s1 |
| Standard InCHIKey | OMNJRQNCWHCCBZ-BULWIKRESA-N |
| External Identifiers | ChEMBL [CHEMBL3315351]; PubChem [13858192]; |
| Reference of Component-Ingredient Pair | N/A |
Occurrence of the ingredient across TCM components
Ingredient ID: TCMC4338
Formula: C15H24
Ingredient ID: TCMC4338
| Common Name | 7,11-Dimethyl-3-Methylenedodeca-1,6,10-Triene,Β-Farnesene |
| IUPAC Name | (6E)-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-NTCAYCPXSA-N |
| External Identifiers | ChEMBL [N/A]; PubChem [5281517]; |
| Reference of Component-Ingredient Pair | 9442047 |
Occurrence of the ingredient across TCM components
Ingredient ID: TCMC4337
Formula: C15H24
Ingredient ID: TCMC4337
| Common Name | (E,E)-Α-Farnesene,3,7,11-Trimethyldodeca-1,3,6,10-Tetraene,Farnesene,Α-Farnesene |
| IUPAC Name | (3E,6E)-3,7,11-trimethyldodeca-1,3,6,10-tetraene |
| Canonical SMILES | C=C/C(=C/C/C=C(/CCC=C(C)C)C)/C |
| Standard InCHI | InChI=1S/C15H24/c1-6-14(4)10-8-12-15(5)11-7-9-13(2)3/h6,9-10,12H,1,7-8,11H2,2-5H3/b14-10+,15-12+ |
| Standard InCHIKey | CXENHBSYCFFKJS-VDQVFBMKSA-N |
| External Identifiers | ChEMBL [CHEMBL3182226]; PubChem [5281516]; |
| Reference of Component-Ingredient Pair | 20044567 |
Occurrence of the ingredient across TCM components
| Component ID | Latin Name | Pinyin Name | Chinese Name |
|---|---|---|---|
| TCMH12 | Artemisia argyi | Ai Ye | 艾叶 |
| TCMH1803 | Amomum villosum | Sha Ren | 砂仁 |
| TCMH243 | Pericarpium citri reticulatae | Chen Pi | 陈皮 |
| TCMH2725 | Fructus perillae | Zi Su Zi | 紫苏子 |
| TCMH544 | Curcuma aeruginosa | E Zhu | 莪术 |
| TCMH877 | Radix ginseng rubra | Hong Shen | 红参 |
Showing 1 to 6 of 6 entries
Ingredient ID: TCMC4336
Formula: C15H24
Ingredient ID: TCMC4336
| Common Name | (1R,9S)-4,11,11-Trimethyl-8-Methylenebicyclo[7.2.0]Undec-4-Ene,Caryophellene,Β-Caryophyllene |
| IUPAC Name | (1R,4E,9S)-4,11,11-trimethyl-8-methylidenebicyclo[7.2.0]undec-4-ene |
| Canonical SMILES | C/C/1=CCCC(=C)[C@@H]2[C@@H](CC1)C(C2)(C)C |
| Standard InCHI | InChI=1S/C15H24/c1-11-6-5-7-12(2)13-10-15(3,4)14(13)9-8-11/h6,13-14H,2,5,7-10H2,1,3-4H3/b11-6+/t13-,14-/m1/s1 |
| Standard InCHIKey | NPNUFJAVOOONJE-GFUGXAQUSA-N |
| External Identifiers | ChEMBL [CHEMBL445740]; PubChem [5281515]; |
| Reference of Component-Ingredient Pair | 22945026 |
Occurrence of the ingredient across TCM components
| Component ID | Latin Name | Pinyin Name | Chinese Name |
|---|---|---|---|
| TCMH1141 | Schizonepeta tenuifolia | Jing Jie | 荆芥 |
| TCMH1165 | Murraya paniculata | Jiu Li Xiang | 九里香 |
| TCMH12 | Artemisia argyi | Ai Ye | 艾叶 |
| TCMH1437 | Rhododendron dauricum | Man Shan Hong | 满山红 |
| TCMH144 | Herba artemisiae anomalae | Bei Liu Ji Nu | 北刘寄奴 |
| TCMH1681 | Artemisia carvifolia | Qing Hao | 青蒿 |
| TCMH1721 | Panax ginseng | Ren Shen | 人参 |
| TCMH1768 | Panax notoginseng | San Qi | 三七 |
| TCMH1803 | Amomum villosum | Sha Ren | 砂仁 |
| TCMH183 | Dryobalanops aromatica | Bing Pian | 冰片 |
Showing 1 to 10 of 25 entries
Ingredient ID: TCMC4334
Formula: C15H20O4
Ingredient ID: TCMC4334
| Common Name | Ridentin |
| IUPAC Name | (3aS,7R,9S,10E,11aR)-7,9-dihydroxy-10-methyl-3,6-dimethylidene-4,5,7,8,9,11a-hexahydro-3aH-cyclodeca[b]furan-2-one |
| Canonical SMILES | O[C@H]1C[C@@H](O)C(=C)CC[C@@H]2[C@@H](/C=C/1C)OC(=O)C2=C |
| Standard InCHI | InChI=1S/C15H20O4/c1-8-4-5-11-10(3)15(18)19-14(11)6-9(2)13(17)7-12(8)16/h6,11-14,16-17H,1,3-5,7H2,2H3/b9-6+/t11-,12+,13-,14+/m0/s1 |
| Standard InCHIKey | KQCHEWVHXSAJIA-RNFGUGDUSA-N |
| External Identifiers | ChEMBL [N/A]; PubChem [5281497]; |
| Reference of Component-Ingredient Pair | 10083848 |
Occurrence of the ingredient across TCM components
Ingredient ID: TCMC4324
Formula: C29H48O
Ingredient ID: TCMC4324
| Common Name | Stigmasterol |
| IUPAC Name | (3S,8S,9S,10R,13R,14S,17R)-17-[(E,2R,5R)-5-ethyl-6-methylhept-3-en-2-yl]-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-ol |
| Canonical SMILES | CC[C@H](C(C)C)/C=C/[C@H]([C@H]1CC[C@@H]2[C@]1(C)CC[C@H]1[C@H]2CC=C2[C@]1(C)CC[C@@H](C2)O)C |
| Standard InCHI | InChI=1S/C29H48O/c1-7-21(19(2)3)9-8-20(4)25-12-13-26-24-11-10-22-18-23(30)14-16-28(22,5)27(24)15-17-29(25,26)6/h8-10,19-21,23-27,30H,7,11-18H2,1-6H3/b9-8+/t20-,21+,23+,24+,25-,26+,27+,28+,29-/m1/s1 |
| Standard InCHIKey | HCXVJBMSMIARIN-KEJCWXRGSA-N |
| External Identifiers | ChEMBL [CHEMBL400247]; PubChem [5281330]; |
| Reference of Component-Ingredient Pair | 24242815 |
Occurrence of the ingredient across TCM components
| Component ID | Latin Name | Pinyin Name | Chinese Name |
|---|---|---|---|
| TCMH1127 | Lonicera japonica | Jin Yin Hua | 金银花 |
| TCMH1186 | Lycium chinense | Gou Qi Zi | 枸杞子 |
| TCMH12 | Artemisia argyi | Ai Ye | 艾叶 |
| TCMH1376 | Trachelospermum jasminoides | Luo Shi Teng | 络石藤 |
| TCMH1423 | Ophiopogon japonicus | Mai Dong | 麦冬 |
| TCMH1499 | Changium smyrnioides | Ming Dang Shen | 明党参 |
| TCMH1531 | Akebia quinata | Mu Tong | 木通 |
| TCMH1533 | Saussurea lappa | Mu Xiang | 木香 |
| TCMH1680 | Sinomenium acutum | Qing Feng Teng | 青风藤 |
| TCMH1721 | Panax ginseng | Ren Shen | 人参 |
Showing 1 to 10 of 37 entries
Ingredient ID: TCMC4318
Formula: C11H8O2
Ingredient ID: TCMC4318
| Common Name | Dehydromatricaria Ester |
| IUPAC Name | methyl (Z)-dec-2-en-4,6,8-triynoate |
| Canonical SMILES | CC#CC#CC#C/C=CC(=O)OC |
| Standard InCHI | InChI=1S/C11H8O2/c1-3-4-5-6-7-8-9-10-11(12)13-2/h9-10H,1-2H3/b10-9- |
| Standard InCHIKey | LBAVIXQTLKRIGP-KTKRTIGZSA-N |
| External Identifiers | ChEMBL [N/A]; PubChem [5281309]; |
| Reference of Component-Ingredient Pair | 24148842 |
Occurrence of the ingredient across TCM components
Ingredient ID: TCMC4307
Formula: C6H10O
Ingredient ID: TCMC4307
| Common Name | 2-Hexenal |
| IUPAC Name | (E)-hex-2-enal |
| Canonical SMILES | CCC/C=C/C=O |
| Standard InCHI | InChI=1S/C6H10O/c1-2-3-4-5-6-7/h4-6H,2-3H2,1H3/b5-4+ |
| Standard InCHIKey | MBDOYVRWFFCFHM-SNAWJCMRSA-N |
| External Identifiers | ChEMBL [CHEMBL2228570]; PubChem [5281168]; |
| Reference of Component-Ingredient Pair | 23864024 |
Occurrence of the ingredient across TCM components
Ingredient ID: TCMC4306
Formula: C6H12O
Ingredient ID: TCMC4306
| Common Name | 3-Hexenol,Β-Hexenol |
| IUPAC Name | (Z)-hex-3-en-1-ol |
| Canonical SMILES | OCC/C=CCC |
| Standard InCHI | InChI=1S/C6H12O/c1-2-3-4-5-6-7/h3-4,7H,2,5-6H2,1H3/b4-3- |
| Standard InCHIKey | UFLHIIWVXFIJGU-ARJAWSKDSA-N |
| External Identifiers | ChEMBL [CHEMBL2251452]; PubChem [5281167]; |
| Reference of Component-Ingredient Pair | 9219366 |
Occurrence of the ingredient across TCM components
Ingredient ID: TCMC4292
Formula: C18H16O7
Ingredient ID: TCMC4292
| Common Name | Ayanin |
| IUPAC Name | 5-hydroxy-2-(3-hydroxy-4-methoxyphenyl)-3,7-dimethoxychromen-4-one |
| Canonical SMILES | COc1cc(O)c2c(c1)oc(c(c2=O)OC)c1ccc(c(c1)O)OC |
| Standard InCHI | InChI=1S/C18H16O7/c1-22-10-7-12(20)15-14(8-10)25-17(18(24-3)16(15)21)9-4-5-13(23-2)11(19)6-9/h4-8,19-20H,1-3H3 |
| Standard InCHIKey | KPCRYSMUMBNTCK-UHFFFAOYSA-N |
| External Identifiers | ChEMBL [CHEMBL74898]; PubChem [5280682]; |
| Reference of Component-Ingredient Pair | 22083919 |
Occurrence of the ingredient across TCM components
Ingredient ID: TCMC426
Formula: C16H16O2
Ingredient ID: TCMC426
| Common Name | 3,5-O-Dimethylpinosylvin |
| IUPAC Name | 1,3-dimethoxy-5-[(E)-2-phenylethenyl]benzene |
| Canonical SMILES | COc1cc(/C=C/c2ccccc2)cc(c1)OC |
| Standard InCHI | InChI=1S/C16H16O2/c1-17-15-10-14(11-16(12-15)18-2)9-8-13-6-4-3-5-7-13/h3-12H,1-2H3/b9-8+ |
| Standard InCHIKey | BIYGTLDPTJMNET-CMDGGOBGSA-N |
| External Identifiers | ChEMBL [CHEMBL188181]; PubChem [5316874]; |
| 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 |
| TCMH128 | Castanea mollissima | Ban Li Ke | 板栗壳 |
| TCMH13 | Artemisia argyi | Ai Ye You | 艾叶油 |
| TCMH1965 | Rheum palmatum | Shu Da Huang | 熟大黄 |
| TCMH2200 | Firmiana simplex | Wu Tong Ye Jin Gao | 梧桐叶浸膏 |
| TCMH981 | Astragalus membranaceus | Huang Qi | 黄芪 |
| TCMH983 | Astragalus membranaceus | Huang Qi Gan Jin Gao | 黄芪干浸膏 |
| TCMH984 | Astragalus membranaceus | Huang Qi Jin Gao | 黄芪浸膏 |
| TCMH985 | Astragalus membranaceus | Huang Qi Ti Qu Ye | 黄芪提取液 |
Showing 1 to 9 of 9 entries
Ingredient ID: TCMC4248
Formula: C15H22
Ingredient ID: TCMC4248
| Common Name | 1-(1,5-Dimethyl-4-Hexenyl)-4-Methyl Benzene,Α-Curcumene |
| IUPAC Name | 1-methyl-4-[(2S)-6-methylhept-5-en-2-yl]benzene |
| Canonical SMILES | CC(=CCC[C@@H](c1ccc(cc1)C)C)C |
| Standard InCHI | InChI=1S/C15H22/c1-12(2)6-5-7-14(4)15-10-8-13(3)9-11-15/h6,8-11,14H,5,7H2,1-4H3/t14-/m0/s1 |
| Standard InCHIKey | VMYXUZSZMNBRCN-AWEZNQCLSA-N |
| External Identifiers | ChEMBL [N/A]; PubChem [3083834]; |
| Reference of Component-Ingredient Pair | 22695231 |
Occurrence of the ingredient across TCM components
Ingredient ID: TCMC4184
Formula: C18H36O
Ingredient ID: TCMC4184
| Common Name | Hexahydrofarnesyl Acetone |
| IUPAC Name | (6S,10S)-6,10,14-trimethylpentadecan-2-one |
| Canonical SMILES | C[C@@H](CCCC(C)C)CCC[C@@H](CCCC(=O)C)C |
| Standard InCHI | InChI=1S/C18H36O/c1-15(2)9-6-10-16(3)11-7-12-17(4)13-8-14-18(5)19/h15-17H,6-14H2,1-5H3/t16-,17-/m0/s1 |
| Standard InCHIKey | WHWDWIHXSPCOKZ-IRXDYDNUSA-N |
| External Identifiers | ChEMBL [N/A]; PubChem [1810797]; |
| Reference of Component-Ingredient Pair | US9458076 |
Occurrence of the ingredient across TCM components
Ingredient ID: TCMC418
Formula: C25H24O12
Ingredient ID: TCMC418
| Common Name | 3,4-Dicaffeoylquinic Acid |
| IUPAC Name | (1S,3R,4R,5R)-3,4-bis[[(E)-3-(3,4-dihydroxyphenyl)prop-2-enoyl]oxy]-1,5-dihydroxycyclohexane-1-carboxylic acid |
| Canonical SMILES | O=C(O[C@@H]1[C@H](O)C[C@@](C[C@H]1OC(=O)/C=C/c1ccc(c(c1)O)O)(O)C(=O)O)/C=C/c1ccc(c(c1)O)O |
| Standard InCHI | InChI=1S/C25H24O12/c26-15-5-1-13(9-17(15)28)3-7-21(31)36-20-12-25(35,24(33)34)11-19(30)23(20)37-22(32)8-4-14-2-6-16(27)18(29)10-14/h1-10,19-20,23,26-30,35H,11-12H2,(H,33,34)/b7-3+,8-4+/t19-,20-,23-,25+/m1/s1 |
| Standard InCHIKey | UFCLZKMFXSILNL-PSEXTPKNSA-N |
| External Identifiers | ChEMBL [CHEMBL249448]; PubChem [5281780]; |
| Reference of Component-Ingredient Pair | 22701506 |
Occurrence of the ingredient across TCM components
| Component ID | Latin Name | Pinyin Name | Chinese Name |
|---|---|---|---|
| TCMH1033 | Centella asiatica | Ji Xue Cao | 积雪草 |
| TCMH1127 | Lonicera japonica | Jin Yin Hua | 金银花 |
| TCMH1128 | Lonicera japonica | Jin Yin Hua Ti Qu Ye | 金银花提取液 |
| TCMH12 | Artemisia argyi | Ai Ye | 艾叶 |
| TCMH1223 | Tussilago farfara | Kuan Dong Hua | 款冬花 |
| TCMH13 | Artemisia argyi | Ai Ye You | 艾叶油 |
| TCMH1483 | Tussilago farfara | Mi Kuan Dong Hua | 蜜款冬花 |
| TCMH1490 | Aster tataricus | Mi Zi Wan | 蜜紫菀 |
| 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 43 entries
Ingredient ID: TCMC4174
Formula: C15H26O
Ingredient ID: TCMC4174
| Common Name | (Cis-Trans)Farnesol |
| IUPAC Name | (2Z,6E)-3,7,11-trimethyldodeca-2,6,10-trien-1-ol |
| Canonical SMILES | OC/C=C(CC/C=C(/CCC=C(C)C)C)/C |
| Standard InCHI | InChI=1S/C15H26O/c1-13(2)7-5-8-14(3)9-6-10-15(4)11-12-16/h7,9,11,16H,5-6,8,10,12H2,1-4H3/b14-9+,15-11- |
| Standard InCHIKey | CRDAMVZIKSXKFV-PVMFERMNSA-N |
| External Identifiers | ChEMBL [N/A]; PubChem [1549108]; |
| Reference of Component-Ingredient Pair | 11413487 |
Occurrence of the ingredient across TCM components
Ingredient ID: TCMC4173
Formula: C11H14O2
Ingredient ID: TCMC4173
| Common Name | Methyl Isoeugenol |
| IUPAC Name | 1,2-dimethoxy-4-[(Z)-prop-1-enyl]benzene |
| Canonical SMILES | C/C=Cc1ccc(c(c1)OC)OC |
| Standard InCHI | InChI=1S/C11H14O2/c1-4-5-9-6-7-10(12-2)11(8-9)13-3/h4-8H,1-3H3/b5-4- |
| Standard InCHIKey | NNWHUJCUHAELCL-PLNGDYQASA-N |
| External Identifiers | ChEMBL [CHEMBL1164609]; PubChem [1549045]; |
| Reference of Component-Ingredient Pair | 21632962 |
Occurrence of the ingredient across TCM components
Ingredient ID: TCMC4152
Formula: C11H10O4
Ingredient ID: TCMC4152
| Common Name | Trans-Phenylitaconic Acid |
| IUPAC Name | (2E)-2-benzylidenebutanedioic acid |
| Canonical SMILES | [O-]C(=O)/C(=C/c1ccccc1)/CC(=O)[O-] |
| Standard InCHI | InChI=1S/C11H10O4/c12-10(13)7-9(11(14)15)6-8-4-2-1-3-5-8/h1-6H,7H2,(H,12,13)(H,14,15)/p-2/b9-6+ |
| Standard InCHIKey | KYILORDWJFEQBS-RMKNXTFCSA-L |
| External Identifiers | ChEMBL [CHEMBL1741747]; PubChem [820629]; |
| Reference of Component-Ingredient Pair | 12420174 |
Occurrence of the ingredient across TCM components
Ingredient ID: TCMC4011
Formula: C12H20O2
Ingredient ID: TCMC4011
| Common Name | Artemisia Alcohol |
| IUPAC Name | 3,3,6-trimethylhepta-1,5-dien-4-yl acetate |
| Canonical SMILES | C=CC(C(C=C(C)C)OC(=O)C)(C)C |
| Standard InCHI | InChI=1S/C12H20O2/c1-7-12(5,6)11(8-9(2)3)14-10(4)13/h7-8,11H,1H2,2-6H3 |
| Standard InCHIKey | NGIKFWJEQGLTBM-UHFFFAOYSA-N |
| External Identifiers | ChEMBL [N/A]; PubChem [524254]; |
| Reference of Component-Ingredient Pair | 25829614 |
Occurrence of the ingredient across TCM components
Ingredient ID: TCMC4005
Formula: C11H22
Ingredient ID: TCMC4005
| Common Name | Isopentylcyclohexene |
| IUPAC Name | 3-methylbutylcyclohexane |
| Canonical SMILES | CC(CCC1CCCCC1)C |
| Standard InCHI | InChI=1S/C11H22/c1-10(2)8-9-11-6-4-3-5-7-11/h10-11H,3-9H2,1-2H3 |
| Standard InCHIKey | BBCIDAVDQLJDMP-UHFFFAOYSA-N |
| External Identifiers | ChEMBL [N/A]; PubChem [521487]; |
| Reference of Component-Ingredient Pair | 14653756 |
Occurrence of the ingredient across TCM components
Ingredient ID: TCMC4001
Formula: C15H24
Ingredient ID: TCMC4001
| Common Name | Α-Himachalene |
| IUPAC Name | 3,5,5-trimethyl-9-methylidene-2,4a,6,7,8,9a-hexahydro-1H-benzo[7]annulene |
| Canonical SMILES | CC1=CC2C(CC1)C(=C)CCCC2(C)C |
| Standard InCHI | InChI=1S/C15H24/c1-11-7-8-13-12(2)6-5-9-15(3,4)14(13)10-11/h10,13-14H,2,5-9H2,1,3-4H3 |
| Standard InCHIKey | ZJSIKVDEOWWVEH-UHFFFAOYSA-N |
| External Identifiers | ChEMBL [N/A]; PubChem [520909]; |
| Reference of Component-Ingredient Pair | 21337506 |
Occurrence of the ingredient across TCM components
Ingredient ID: TCMC3966
Formula: C29H50O
Ingredient ID: TCMC3966
| Common Name | Sitosterol,Β-Sitosterol |
| IUPAC Name | (3S,8S,9S,10R,13R,14S,17R)-17-[(2R,5S)-5-ethyl-6-methylheptan-2-yl]-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-ol |
| Canonical SMILES | CC[C@H](C(C)C)CC[C@H]([C@H]1CC[C@@H]2[C@]1(C)CC[C@H]1[C@H]2CC=C2[C@]1(C)CC[C@@H](C2)O)C |
| Standard InCHI | InChI=1S/C29H50O/c1-7-21(19(2)3)9-8-20(4)25-12-13-26-24-11-10-22-18-23(30)14-16-28(22,5)27(24)15-17-29(25,26)6/h10,19-21,23-27,30H,7-9,11-18H2,1-6H3/t20-,21+,23+,24+,25-,26+,27+,28+,29-/m1/s1 |
| Standard InCHIKey | KZJWDPNRJALLNS-FBZNIEFRSA-N |
| External Identifiers | ChEMBL [CHEMBL221542]; PubChem [457801]; |
| Reference of Component-Ingredient Pair | 23115546 |
Occurrence of the ingredient across TCM components
| Component ID | Latin Name | Pinyin Name | Chinese Name |
|---|---|---|---|
| TCMH104 | Paeonia lactiflora | Bai Shao | 白芍 |
| TCMH1127 | Lonicera japonica | Jin Yin Hua | 金银花 |
| TCMH1186 | Lycium chinense | Gou Qi Zi | 枸杞子 |
| TCMH12 | Artemisia argyi | Ai Ye | 艾叶 |
| TCMH121 | Biota orientalis | Bai Zi Ren | 柏子仁 |
| TCMH127 | Isatis indigotica | Ban Lan Gen | 板蓝根 |
| TCMH130 | Pinellia ternata | Ban Xia | 半夏 |
| TCMH1359 | Pyrola calliantha | Lu Xian Cao | 鹿衔草 |
| TCMH1368 | Apocyni veneti folium | Luo Bu Ma Ye | 罗布麻叶 |
| TCMH1376 | Trachelospermum jasminoides | Luo Shi Teng | 络石藤 |
Showing 1 to 10 of 71 entries
Ingredient ID: TCMC3944
Formula: C10H16O
Ingredient ID: TCMC3944
| Common Name | Trans-Carveol |
| IUPAC Name | (1R,5S)-2-methyl-5-prop-1-en-2-ylcyclohex-2-en-1-ol |
| Canonical SMILES | CC(=C)[C@H]1CC=C([C@@H](C1)O)C |
| Standard InCHI | InChI=1S/C10H16O/c1-7(2)9-5-4-8(3)10(11)6-9/h4,9-11H,1,5-6H2,2-3H3/t9-,10+/m0/s1 |
| Standard InCHIKey | BAVONGHXFVOKBV-VHSXEESVSA-N |
| External Identifiers | ChEMBL [N/A]; PubChem [443178]; |
| Reference of Component-Ingredient Pair | 11375201 |
Occurrence of the ingredient across TCM components
Ingredient ID: TCMC3901
Formula: C10H18O
Ingredient ID: TCMC3901
| Common Name | Α-Terpineol |
| IUPAC Name | 2-[(1R)-4-methylcyclohex-3-en-1-yl]propan-2-ol |
| Canonical SMILES | CC1=CC[C@@H](CC1)C(O)(C)C |
| Standard InCHI | InChI=1S/C10H18O/c1-8-4-6-9(7-5-8)10(2,3)11/h4,9,11H,5-7H2,1-3H3/t9-/m0/s1 |
| Standard InCHIKey | WUOACPNHFRMFPN-VIFPVBQESA-N |
| External Identifiers | ChEMBL [N/A]; PubChem [442501]; |
| Reference of Component-Ingredient Pair | 18541135 |
Occurrence of the ingredient across TCM components
| Component ID | Latin Name | Pinyin Name | Chinese Name |
|---|---|---|---|
| TCMH1114 | Herba glechomae longitubae | Jin Qian Cao | 金钱草 |
| TCMH1127 | Lonicera japonica | Jin Yin Hua | 金银花 |
| TCMH12 | Artemisia argyi | Ai Ye | 艾叶 |
| TCMH1272 | Forsythia suspensa | Lian Qiao | 连翘 |
| TCMH1398 | Ephedra sinica | Ma Huang | 麻黄 |
| TCMH1432 | Vitex trifolia | Man Jing Zi | 蔓荆子 |
| TCMH1903 | Zingiber officinale | Sheng Jiang | 生姜 |
| TCMH2202 | Schisandra chinensis | Wu Wei Zi | 五味子 |
| TCMH2239 | Asarum sieboldii | Xi Xin | 细辛 |
| TCMH228 | Bupleurum chinense | Chai Hu | 柴胡 |
Showing 1 to 10 of 12 entries
Ingredient ID: TCMC3888
Formula: C15H24
Ingredient ID: TCMC3888
| Common Name | Thujopsene,Widdrene |
| IUPAC Name | (1aS,4aS,8aS)-2,4a,8,8-tetramethyl-1,1a,4,5,6,7-hexahydrocyclopropa[j]naphthalene |
| Canonical SMILES | CC1=CC[C@]2([C@@]3([C@H]1C3)C(C)(C)CCC2)C |
| Standard InCHI | InChI=1S/C15H24/c1-11-6-9-14(4)8-5-7-13(2,3)15(14)10-12(11)15/h6,12H,5,7-10H2,1-4H3/t12-,14-,15-/m0/s1 |
| Standard InCHIKey | WXQGPFZDVCRBME-QEJZJMRPSA-N |
| External Identifiers | ChEMBL [N/A]; PubChem [442402]; |
| Reference of Component-Ingredient Pair | 21674781 |
Occurrence of the ingredient across TCM components
Ingredient ID: TCMC3884
Formula: C15H22
Ingredient ID: TCMC3884
| Common Name | Α-Curcumene,Α-Curcumene(R-) |
| IUPAC Name | 1-methyl-4-[(2R)-6-methylhept-5-en-2-yl]benzene |
| Canonical SMILES | CC(=CCC[C@H](c1ccc(cc1)C)C)C |
| Standard InCHI | InChI=1S/C15H22/c1-12(2)6-5-7-14(4)15-10-8-13(3)9-11-15/h6,8-11,14H,5,7H2,1-4H3/t14-/m1/s1 |
| Standard InCHIKey | VMYXUZSZMNBRCN-CQSZACIVSA-N |
| External Identifiers | ChEMBL [CHEMBL469717]; PubChem [442360]; |
| Reference of Component-Ingredient Pair | 15330612 |
Occurrence of the ingredient across TCM components
| Component ID | Latin Name | Pinyin Name | Chinese Name |
|---|---|---|---|
| TCMH12 | Artemisia argyi | Ai Ye | 艾叶 |
| TCMH120 | Atractylodes macrocephala | Bai Zhu | 白术 |
| TCMH1862 | Cornus officinalis | Shan Zhu Yu | 山茱萸 |
| TCMH1903 | Zingiber officinale | Sheng Jiang | 生姜 |
| TCMH2241 | Panax quinquefolium | Xi Yang Shen | 西洋参 |
| TCMH426 | Codonopsis pilosula | Dang Shen | 党参 |
Showing 1 to 6 of 6 entries
Ingredient ID: TCMC3813
Formula: C10H14O
Ingredient ID: TCMC3813
| Common Name | Isopiperitenone |
| IUPAC Name | (6S)-3-methyl-6-prop-1-en-2-ylcyclohex-2-en-1-one |
| Canonical SMILES | CC1=CC(=O)[C@@H](CC1)C(=C)C |
| Standard InCHI | InChI=1S/C10H14O/c1-7(2)9-5-4-8(3)6-10(9)11/h6,9H,1,4-5H2,2-3H3/t9-/m0/s1 |
| Standard InCHIKey | SEZLYIWMVRUIKT-VIFPVBQESA-N |
| External Identifiers | ChEMBL [N/A]; PubChem [439696]; |
| Reference of Component-Ingredient Pair | 22231474 |
Occurrence of the ingredient across TCM components
Ingredient ID: TCMC3785
Formula: C10H16O
Ingredient ID: TCMC3785
| Common Name | Perillyl Alcohol |
| IUPAC Name | [(4S)-4-prop-1-en-2-ylcyclohexen-1-yl]methanol |
| Canonical SMILES | OCC1=CC[C@H](CC1)C(=C)C |
| Standard InCHI | InChI=1S/C10H16O/c1-8(2)10-5-3-9(7-11)4-6-10/h3,10-11H,1,4-7H2,2H3/t10-/m1/s1 |
| Standard InCHIKey | NDTYTMIUWGWIMO-SNVBAGLBSA-N |
| External Identifiers | ChEMBL [CHEMBL236687]; PubChem [369312]; |
| Reference of Component-Ingredient Pair | 19458919 |
Occurrence of the ingredient across TCM components
Ingredient ID: TCMC3751
Formula: C10H16O
Ingredient ID: TCMC3751
| Common Name | Isothujone |
| IUPAC Name | (1S,4S,5S)-4-methyl-1-propan-2-ylbicyclo[3.1.0]hexan-3-one |
| Canonical SMILES | O=C1C[C@]2([C@H]([C@@H]1C)C2)C(C)C |
| Standard InCHI | InChI=1S/C10H16O/c1-6(2)10-4-8(10)7(3)9(11)5-10/h6-8H,4-5H2,1-3H3/t7-,8-,10-/m0/s1 |
| Standard InCHIKey | USMNOWBWPHYOEA-NRPADANISA-N |
| External Identifiers | ChEMBL [N/A]; PubChem [249286]; |
| Reference of Component-Ingredient Pair | 26482939 |
Occurrence of the ingredient across TCM components
Ingredient ID: TCMC369
Formula: C8H18O
Ingredient ID: TCMC369
| Common Name | 2-Ethylhexan-1-Ol |
| IUPAC Name | 2-ethylhexan-1-ol |
| Canonical SMILES | CCCCC(CO)CC |
| Standard InCHI | InChI=1S/C8H18O/c1-3-5-6-8(4-2)7-9/h8-9H,3-7H2,1-2H3 |
| Standard InCHIKey | YIWUKEYIRIRTPP-UHFFFAOYSA-N |
| External Identifiers | ChEMBL [CHEMBL31637]; PubChem [7720]; |
| Reference of Component-Ingredient Pair | 22989014 |
Occurrence of the ingredient across TCM components
| Component ID | Latin Name | Pinyin Name | Chinese Name |
|---|---|---|---|
| TCMH1127 | Lonicera japonica | Jin Yin Hua | 金银花 |
| TCMH1128 | Lonicera japonica | Jin Yin Hua Ti Qu Ye | 金银花提取液 |
| TCMH12 | Artemisia argyi | Ai Ye | 艾叶 |
| TCMH1296 | Ganoderma lucidum | Ling Zhi Jin Gao | 灵芝浸膏 |
| TCMH1299 | Ganoderma lucidum | Ling Zhi(1) | 灵芝 |
| TCMH13 | Artemisia argyi | Ai Ye You | 艾叶油 |
| TCMH130 | Pinellia ternata | Ban Xia | 半夏 |
| TCMH131 | Pinellia ternata | Ban Xia Qu | 半夏曲 |
| TCMH1677 | Pinellia ternata | Qing Ban Xia | 清半夏 |
| TCMH1714 | Lonicera japonica | Ren Dong Teng | 忍冬藤 |
Showing 1 to 10 of 28 entries
Ingredient ID: TCMC3612
Formula: C18H16O7
Ingredient ID: TCMC3612
| Common Name | Cirsilineol |
| IUPAC Name | 5-hydroxy-2-(4-hydroxy-3-methoxyphenyl)-6,7-dimethoxychromen-4-one |
| Canonical SMILES | COc1cc2oc(cc(=O)c2c(c1OC)O)c1ccc(c(c1)OC)O |
| Standard InCHI | InChI=1S/C18H16O7/c1-22-13-6-9(4-5-10(13)19)12-7-11(20)16-14(25-12)8-15(23-2)18(24-3)17(16)21/h4-8,19,21H,1-3H3 |
| Standard InCHIKey | VKOSQMWSWLZQPA-UHFFFAOYSA-N |
| External Identifiers | ChEMBL [CHEMBL487213]; PubChem [162464]; |
| Reference of Component-Ingredient Pair | 22870812 |
Occurrence of the ingredient across TCM components
Ingredient ID: TCMC3504
Formula: C10H14O
Ingredient ID: TCMC3504
| Common Name | Eucarvone |
| IUPAC Name | 2,6,6-trimethylcyclohepta-2,4-dien-1-one |
| Canonical SMILES | CC1=CC=CC(CC1=O)(C)C |
| Standard InCHI | InChI=1S/C10H14O/c1-8-5-4-6-10(2,3)7-9(8)11/h4-6H,7H2,1-3H3 |
| Standard InCHIKey | QNGQIURXCUHNAT-UHFFFAOYSA-N |
| External Identifiers | ChEMBL [N/A]; PubChem [136330]; |
| Reference of Component-Ingredient Pair | 25534256 |
Occurrence of the ingredient across TCM components
Ingredient ID: TCMC3428
Formula: C30H46O5
Ingredient ID: TCMC3428
| Common Name | Quinovic Acid |
| IUPAC Name | (1S,2R,4aS,6aR,6aR,6bR,8aR,10S,12aR,14bS)-10-hydroxy-1,2,6b,9,9,12a-hexamethyl-2,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydro-1H-picene-4a,6a-dicarboxylic acid |
| Canonical SMILES | C[C@@H]1CC[C@]2([C@@H]([C@H]1C)C1=CC[C@H]3[C@@]([C@@]1(CC2)C(=O)[O-])(C)CC[C@@H]1[C@]3(C)CC[C@@H](C1(C)C)O)C(=O)[O-] |
| Standard InCHI | InChI=1S/C30H46O5/c1-17-9-14-29(24(32)33)15-16-30(25(34)35)19(23(29)18(17)2)7-8-21-27(5)12-11-22(31)26(3,4)20(27)10-13-28(21,30)6/h7,17-18,20-23,31H,8-16H2,1-6H3,(H,32,33)(H,34,35)/p-2/t17-,18+,20+,21-,22+,23+,27+,28-,29+,30-/m1/s1 |
| Standard InCHIKey | OJUYFGQEMPENCE-DPKHZRJYSA-L |
| External Identifiers | ChEMBL [N/A]; PubChem [120678]; |
| Reference of Component-Ingredient Pair | 24607820 |
Occurrence of the ingredient across TCM components
Ingredient ID: TCMC3371
Formula: C15H24
Ingredient ID: TCMC3371
| Common Name | Α-Cyperene |
| IUPAC Name | 4,10,11,11-tetramethyltricyclo[5.3.1.01,5]undec-4-ene |
| Canonical SMILES | CC1=C2CC3C(C2(CC1)C(C)CC3)(C)C |
| Standard InCHI | InChI=1S/C15H24/c1-10-7-8-15-11(2)5-6-12(9-13(10)15)14(15,3)4/h11-12H,5-9H2,1-4H3 |
| Standard InCHIKey | RTBLDXVIGWSICW-UHFFFAOYSA-N |
| External Identifiers | ChEMBL [N/A]; PubChem [99856]; |
| Reference of Component-Ingredient Pair | 20044567 |
Occurrence of the ingredient across TCM components
Ingredient ID: TCMC3342
Formula: C10H16O
Ingredient ID: TCMC3342
| Common Name | Trans-Carveol |
| IUPAC Name | (1S,5R)-2-methyl-5-prop-1-en-2-ylcyclohex-2-en-1-ol |
| Canonical SMILES | CC(=C)[C@@H]1CC=C([C@H](C1)O)C |
| Standard InCHI | InChI=1S/C10H16O/c1-7(2)9-5-4-8(3)10(11)6-9/h4,9-11H,1,5-6H2,2-3H3/t9-,10+/m1/s1 |
| Standard InCHIKey | BAVONGHXFVOKBV-ZJUUUORDSA-N |
| External Identifiers | ChEMBL [CHEMBL1907992]; PubChem [94221]; |
| Reference of Component-Ingredient Pair | 22228959 |
Occurrence of the ingredient across TCM components
Ingredient ID: TCMC3337
Formula: C15H24
Ingredient ID: TCMC3337
| Common Name | Β-Cubebene |
| IUPAC Name | (1R,5S,6R,7S,10R)-10-methyl-4-methylidene-7-propan-2-yltricyclo[4.4.0.01,5]decane |
| Canonical SMILES | CC([C@@H]1CC[C@H]([C@]23[C@H]1[C@H]2C(=C)CC3)C)C |
| Standard InCHI | InChI=1S/C15H24/c1-9(2)12-6-5-11(4)15-8-7-10(3)13(15)14(12)15/h9,11-14H,3,5-8H2,1-2,4H3/t11-,12+,13-,14-,15+/m1/s1 |
| Standard InCHIKey | FSRZGYRCMPZNJF-KHMAMNHCSA-N |
| External Identifiers | ChEMBL [N/A]; PubChem [93081]; |
| Reference of Component-Ingredient Pair | 19911576 |
Occurrence of the ingredient across TCM components
Ingredient ID: TCMC3335
Formula: C12H20O2
Ingredient ID: TCMC3335
| Common Name | Acetylborneol,Bornyl Acetate,L-Bornyl Acetate |
| IUPAC Name | [(1S,2R,4S)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl] acetate |
| Canonical SMILES | CC(=O)O[C@@H]1C[C@H]2C([C@]1(C)CC2)(C)C |
| Standard InCHI | InChI=1S/C12H20O2/c1-8(13)14-10-7-9-5-6-12(10,4)11(9,2)3/h9-10H,5-7H2,1-4H3/t9-,10+,12+/m0/s1 |
| Standard InCHIKey | KGEKLUUHTZCSIP-HOSYDEDBSA-N |
| External Identifiers | ChEMBL [CHEMBL3186761]; PubChem [93009]; |
| Reference of Component-Ingredient Pair | 21162008 |
Occurrence of the ingredient across TCM components
| Component ID | Latin Name | Pinyin Name | Chinese Name |
|---|---|---|---|
| TCMH12 | Artemisia argyi | Ai Ye | 艾叶 |
| TCMH1397 | Aristolochia debilis | Ma Dou Ling | 马兜铃 |
| TCMH1665 | Notopterygium incisum | Qiang Huo | 羌活 |
| TCMH1903 | Zingiber officinale | Sheng Jiang | 生姜 |
| TCMH2202 | Schisandra chinensis | Wu Wei Zi | 五味子 |
| TCMH2239 | Asarum sieboldii | Xi Xin | 细辛 |
| TCMH2545 | Houttuynia cordata | Yu Xing Cao | 鱼腥草 |
Showing 1 to 7 of 7 entries
Ingredient ID: TCMC3332
Formula: C32H52O2
Ingredient ID: TCMC3332
| Common Name | Α-Amyrin Acetate |
| IUPAC Name | [(3S,4aR,6aR,6bS,8aR,11R,12S,12aR,14aR,14bR)-4,4,6a,6b,8a,11,12,14b-octamethyl-2,3,4a,5,6,7,8,9,10,11,12,12a,14,14a-tetradecahydro-1H-picen-3-yl] acetate |
| Canonical SMILES | CC(=O)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]2[C@@H](C)[C@H](C)CC1)C)C)C |
| Standard InCHI | InChI=1S/C32H52O2/c1-20-12-15-29(6)18-19-31(8)23(27(29)21(20)2)10-11-25-30(7)16-14-26(34-22(3)33)28(4,5)24(30)13-17-32(25,31)9/h10,20-21,24-27H,11-19H2,1-9H3/t20-,21+,24+,25-,26+,27+,29-,30+,31-,32-/m1/s1 |
| Standard InCHIKey | UDXDFWBZZQHDRO-NSTYLNEOSA-N |
| External Identifiers | ChEMBL [CHEMBL471754]; PubChem [92842]; |
| Reference of Component-Ingredient Pair | 18947904 |
Occurrence of the ingredient across TCM components
Ingredient ID: TCMC3329
Formula: C15H26O
Ingredient ID: TCMC3329
| Common Name | Ledol |
| IUPAC Name | (1aR,4R,4aS,7R,7aS,7bS)-1,1,4,7-tetramethyl-2,3,4a,5,6,7,7a,7b-octahydro-1aH-cyclopropa[e]azulen-4-ol |
| Canonical SMILES | C[C@@H]1CC[C@H]2[C@@H]1[C@H]1[C@H](C1(C)C)CC[C@@]2(C)O |
| Standard InCHI | InChI=1S/C15H26O/c1-9-5-6-10-12(9)13-11(14(13,2)3)7-8-15(10,4)16/h9-13,16H,5-8H2,1-4H3/t9-,10+,11-,12-,13-,15-/m1/s1 |
| Standard InCHIKey | AYXPYQRXGNDJFU-AOWZIMASSA-N |
| External Identifiers | ChEMBL [N/A]; PubChem [92812]; |
| Reference of Component-Ingredient Pair | 27650333 |
Occurrence of the ingredient across TCM components
Ingredient ID: TCMC3324
Formula: C15H24
Ingredient ID: TCMC3324
| Common Name | Γ-Cadinene |
| IUPAC Name | (1R,4aS,8aS)-7-methyl-4-methylidene-1-propan-2-yl-2,3,4a,5,6,8a-hexahydro-1H-naphthalene |
| Canonical SMILES | CC1=C[C@H]2[C@H](CC1)C(=C)CC[C@@H]2C(C)C |
| Standard InCHI | InChI=1S/C15H24/c1-10(2)13-8-6-12(4)14-7-5-11(3)9-15(13)14/h9-10,13-15H,4-8H2,1-3H3/t13-,14-,15-/m1/s1 |
| Standard InCHIKey | WRHGORWNJGOVQY-RBSFLKMASA-N |
| External Identifiers | ChEMBL [N/A]; PubChem [92313]; |
| Reference of Component-Ingredient Pair | 22239952 |
Occurrence of the ingredient across TCM components
Ingredient ID: TCMC3318
Formula: C15H26O
Ingredient ID: TCMC3318
| Common Name | Elemol |
| IUPAC Name | 2-[(1R,3S,4S)-4-ethenyl-4-methyl-3-prop-1-en-2-ylcyclohexyl]propan-2-ol |
| Canonical SMILES | C=C[C@]1(C)CC[C@H](C[C@H]1C(=C)C)C(O)(C)C |
| Standard InCHI | InChI=1S/C15H26O/c1-7-15(6)9-8-12(14(4,5)16)10-13(15)11(2)3/h7,12-13,16H,1-2,8-10H2,3-6H3/t12-,13+,15-/m1/s1 |
| Standard InCHIKey | GFJIQNADMLPFOW-VNHYZAJKSA-N |
| External Identifiers | ChEMBL [CHEMBL2287241]; PubChem [92138]; |
| Reference of Component-Ingredient Pair | 26744017 |
Occurrence of the ingredient across TCM components
Ingredient ID: TCMC3308
Formula: C15H24
Ingredient ID: TCMC3308
| Common Name | Aromadendrene |
| IUPAC Name | 1,1,7-trimethyl-4-methylidene-2,3,4a,5,6,7,7a,7b-octahydro-1aH-cyclopropa[e]azulene |
| Canonical SMILES | CC1CCC2C1C1C(C1(C)C)CCC2=C |
| Standard InCHI | InChI=1S/C15H24/c1-9-6-8-12-14(15(12,3)4)13-10(2)5-7-11(9)13/h10-14H,1,5-8H2,2-4H3 |
| Standard InCHIKey | ITYNGVSTWVVPIC-UHFFFAOYSA-N |
| External Identifiers | ChEMBL [N/A]; PubChem [91354]; |
| Reference of Component-Ingredient Pair | 22945026 |
Occurrence of the ingredient across TCM components
Ingredient ID: TCMC3303
Formula: C15H24O2
Ingredient ID: TCMC3303
| Common Name | Davanone |
| IUPAC Name | (2S)-2-[(2S,5R)-5-ethenyl-5-methyloxolan-2-yl]-6-methylhept-5-en-3-one |
| Canonical SMILES | C=C[C@@]1(C)CC[C@H](O1)[C@@H](C(=O)CC=C(C)C)C |
| Standard InCHI | InChI=1S/C15H24O2/c1-6-15(5)10-9-14(17-15)12(4)13(16)8-7-11(2)3/h6-7,12,14H,1,8-10H2,2-5H3/t12-,14+,15+/m1/s1 |
| Standard InCHIKey | FJKKZNIYYVEYOL-SNPRPXQTSA-N |
| External Identifiers | ChEMBL [N/A]; PubChem [88556]; |
| Reference of Component-Ingredient Pair | 29164813 |
Occurrence of the ingredient across TCM components
Ingredient ID: TCMC3292
Formula: C10H18O
Ingredient ID: TCMC3292
| Common Name | Piperitol |
| IUPAC Name | (1R,6S)-3-methyl-6-propan-2-ylcyclohex-2-en-1-ol |
| Canonical SMILES | CC1=C[C@@H]([C@@H](CC1)C(C)C)O |
| Standard InCHI | InChI=1S/C10H18O/c1-7(2)9-5-4-8(3)6-10(9)11/h6-7,9-11H,4-5H2,1-3H3/t9-,10-/m0/s1 |
| Standard InCHIKey | HPOHAUWWDDPHRS-UWVGGRQHSA-N |
| External Identifiers | ChEMBL [N/A]; PubChem [85567]; |
| Reference of Component-Ingredient Pair | 11715194 |
Occurrence of the ingredient across TCM components
Ingredient ID: TCMC3276
Formula: C10H14O
Ingredient ID: TCMC3276
| Common Name | Isopiperitenone |
| IUPAC Name | 3-methyl-6-prop-1-en-2-ylcyclohex-2-en-1-one |
| Canonical SMILES | CC1=CC(=O)C(CC1)C(=C)C |
| Standard InCHI | InChI=1S/C10H14O/c1-7(2)9-5-4-8(3)6-10(9)11/h6,9H,1,4-5H2,2-3H3 |
| Standard InCHIKey | SEZLYIWMVRUIKT-UHFFFAOYSA-N |
| External Identifiers | ChEMBL [N/A]; PubChem [79036]; |
| Reference of Component-Ingredient Pair | 22231474 |
Occurrence of the ingredient across TCM components
Ingredient ID: TCMC3275
Formula: C10H16
Ingredient ID: TCMC3275
| Common Name | 1,7,7-Trimethyltricyclo[2.2.1.0~2,6~]Heptane,Tricyclene |
| IUPAC Name | 1,7,7-trimethyltricyclo[2.2.1.02,6]heptane |
| Canonical SMILES | CC12C3C1CC(C2(C)C)C3 |
| Standard InCHI | InChI=1S/C10H16/c1-9(2)6-4-7-8(5-6)10(7,9)3/h6-8H,4-5H2,1-3H3 |
| Standard InCHIKey | RRBYUSWBLVXTQN-UHFFFAOYSA-N |
| External Identifiers | ChEMBL [N/A]; PubChem [79035]; |
| Reference of Component-Ingredient Pair | 21936887 |
Occurrence of the ingredient across TCM components
Ingredient ID: TCMC3258
Formula: C6H10
Ingredient ID: TCMC3258
| Common Name | Methylene Cyclopentane |
| IUPAC Name | methylidenecyclopentane |
| Canonical SMILES | C=C1CCCC1 |
| Standard InCHI | InChI=1S/C6H10/c1-6-4-2-3-5-6/h1-5H2 |
| Standard InCHIKey | NFJPEKRRHIYYES-UHFFFAOYSA-N |
| External Identifiers | ChEMBL [N/A]; PubChem [73714]; |
| Reference of Component-Ingredient Pair | 16771492 |
Occurrence of the ingredient across TCM components
Ingredient ID: TCMC3223
Formula: C10H16O
Ingredient ID: TCMC3223
| Common Name | Artemisia Ketone |
| IUPAC Name | 3,3,6-trimethylhepta-1,5-dien-4-one |
| Canonical SMILES | C=CC(C(=O)C=C(C)C)(C)C |
| Standard InCHI | InChI=1S/C10H16O/c1-6-10(4,5)9(11)7-8(2)3/h6-7H,1H2,2-5H3 |
| Standard InCHIKey | OTYVBQZXUNBRTK-UHFFFAOYSA-N |
| External Identifiers | ChEMBL [N/A]; PubChem [68346]; |
| Reference of Component-Ingredient Pair | 26837162 |
Occurrence of the ingredient across TCM components
Ingredient ID: TCMC3203
Formula: C10H18O
Ingredient ID: TCMC3203
| Common Name | 1,7,7-Trimethylbicyclo[2.2.1]Heptan-2-Ol,Borneol |
| IUPAC Name | 1,7,7-trimethylbicyclo[2.2.1]heptan-2-ol |
| Canonical SMILES | OC1CC2C(C1(C)CC2)(C)C |
| Standard InCHI | InChI=1S/C10H18O/c1-9(2)7-4-5-10(9,3)8(11)6-7/h7-8,11H,4-6H2,1-3H3 |
| Standard InCHIKey | DTGKSKDOIYIVQL-UHFFFAOYSA-N |
| External Identifiers | ChEMBL [CHEMBL1097205]; PubChem [64685]; |
| Reference of Component-Ingredient Pair | 22740342 |
Occurrence of the ingredient across TCM components
Ingredient ID: TCMC3202
Formula: C15H24
Ingredient ID: TCMC3202
| Common Name | Β-Bourbonene |
| IUPAC Name | (1S,2R,6S,7R,8S)-1-methyl-5-methylidene-8-propan-2-yltricyclo[5.3.0.02,6]decane |
| Canonical SMILES | CC([C@@H]1CC[C@@]2([C@H]1[C@H]1C(=C)CC[C@@H]21)C)C |
| Standard InCHI | InChI=1S/C15H24/c1-9(2)11-7-8-15(4)12-6-5-10(3)13(12)14(11)15/h9,11-14H,3,5-8H2,1-2,4H3/t11-,12+,13-,14+,15-/m0/s1 |
| Standard InCHIKey | YIRAHEODBQONHI-ZQNQSHIBSA-N |
| External Identifiers | ChEMBL [N/A]; PubChem [62566]; |
| Reference of Component-Ingredient Pair | 21941911 |
Occurrence of the ingredient across TCM components
Ingredient ID: TCMC3196
Formula: C9H18O
Ingredient ID: TCMC3196
| Common Name | 3-Nonanone |
| IUPAC Name | nonan-3-one |
| Canonical SMILES | CCCCCCC(=O)CC |
| Standard InCHI | InChI=1S/C9H18O/c1-3-5-6-7-8-9(10)4-2/h3-8H2,1-2H3 |
| Standard InCHIKey | IYTXKIXETAELAV-UHFFFAOYSA-N |
| External Identifiers | ChEMBL [N/A]; PubChem [61235]; |
| Reference of Component-Ingredient Pair | 28416862 |
Occurrence of the ingredient across TCM components
Ingredient ID: TCMC3194
Formula: C10H14O
Ingredient ID: TCMC3194
| Common Name | Myrtenal |
| IUPAC Name | 6,6-dimethylbicyclo[3.1.1]hept-2-ene-2-carbaldehyde |
| Canonical SMILES | O=CC1=CCC2CC1C2(C)C |
| Standard InCHI | InChI=1S/C10H14O/c1-10(2)8-4-3-7(6-11)9(10)5-8/h3,6,8-9H,4-5H2,1-2H3 |
| Standard InCHIKey | KMRMUZKLFIEVAO-UHFFFAOYSA-N |
| External Identifiers | ChEMBL [N/A]; PubChem [61130]; |
| Reference of Component-Ingredient Pair | 29248742 |
Occurrence of the ingredient across TCM components
Ingredient ID: TCMC3192
Formula: C12H20O2
Ingredient ID: TCMC3192
| Common Name | Isobornyl Acetate |
| IUPAC Name | [(1R,2R,4S)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl] acetate |
| Canonical SMILES | CC(=O)O[C@@H]1C[C@H]2C([C@@]1(C)CC2)(C)C |
| Standard InCHI | InChI=1S/C12H20O2/c1-8(13)14-10-7-9-5-6-12(10,4)11(9,2)3/h9-10H,5-7H2,1-4H3/t9-,10+,12-/m0/s1 |
| Standard InCHIKey | KGEKLUUHTZCSIP-UMNHJUIQSA-N |
| External Identifiers | ChEMBL [N/A]; PubChem [61061]; |
| Reference of Component-Ingredient Pair | 20184036 |
Occurrence of the ingredient across TCM components
Ingredient ID: TCMC3184
Formula: C8H16O
Ingredient ID: TCMC3184
| Common Name | 7-Octen-4-Ol |
| IUPAC Name | oct-7-en-4-ol |
| Canonical SMILES | CCCC(CCC=C)O |
| Standard InCHI | InChI=1S/C8H16O/c1-3-5-7-8(9)6-4-2/h3,8-9H,1,4-7H2,2H3 |
| Standard InCHIKey | MJWKMORBWQZWOT-UHFFFAOYSA-N |
| External Identifiers | ChEMBL [N/A]; PubChem [40923]; |
| Reference of Component-Ingredient Pair | 23807366 |
Occurrence of the ingredient across TCM components
Ingredient ID: TCMC3176
Formula: C10H16O
Ingredient ID: TCMC3176
| Common Name | Isopulegone |
| IUPAC Name | 5-methyl-2-prop-1-en-2-ylcyclohexan-1-one |
| Canonical SMILES | CC1CCC(C(=O)C1)C(=C)C |
| Standard InCHI | InChI=1S/C10H16O/c1-7(2)9-5-4-8(3)6-10(9)11/h8-9H,1,4-6H2,2-3H3 |
| Standard InCHIKey | RMIANEGNSBUGDJ-UHFFFAOYSA-N |
| External Identifiers | ChEMBL [N/A]; PubChem [34645]; |
| Reference of Component-Ingredient Pair | 20044567 |
Occurrence of the ingredient across TCM components
Ingredient ID: TCMC3157
Formula: C10H14O
Ingredient ID: TCMC3157
| Common Name | Verbenone |
| IUPAC Name | 4,6,6-trimethylbicyclo[3.1.1]hept-3-en-2-one |
| Canonical SMILES | CC1=CC(=O)C2CC1C2(C)C |
| Standard InCHI | InChI=1S/C10H14O/c1-6-4-9(11)8-5-7(6)10(8,2)3/h4,7-8H,5H2,1-3H3 |
| Standard InCHIKey | DCSCXTJOXBUFGB-UHFFFAOYSA-N |
| External Identifiers | ChEMBL [N/A]; PubChem [29025]; |
| Reference of Component-Ingredient Pair | 22490675 |
Occurrence of the ingredient across TCM components
Ingredient ID: TCMC3155
Formula: C11H16O2
Ingredient ID: TCMC3155
| Common Name | Dihydroactinidiolide |
| IUPAC Name | 4,4,7a-trimethyl-6,7-dihydro-5H-1-benzofuran-2-one |
| Canonical SMILES | O=C1C=C2C(O1)(C)CCCC2(C)C |
| Standard InCHI | InChI=1S/C11H16O2/c1-10(2)5-4-6-11(3)8(10)7-9(12)13-11/h7H,4-6H2,1-3H3 |
| Standard InCHIKey | IMKHDCBNRDRUEB-UHFFFAOYSA-N |
| External Identifiers | ChEMBL [CHEMBL2271411]; PubChem [27209]; |
| Reference of Component-Ingredient Pair | 22011110 |
Occurrence of the ingredient across TCM components
Ingredient ID: TCMC3127
Formula: C8H16O
Ingredient ID: TCMC3127
| Common Name | 1-Octen-3-Ol,3-Octenol |
| IUPAC Name | oct-1-en-3-ol |
| Canonical SMILES | CCCCCC(C=C)O |
| Standard InCHI | InChI=1S/C8H16O/c1-3-5-6-7-8(9)4-2/h4,8-9H,2-3,5-7H2,1H3 |
| Standard InCHIKey | VSMOENVRRABVKN-UHFFFAOYSA-N |
| External Identifiers | ChEMBL [CHEMBL3183573]; PubChem [18827]; |
| Reference of Component-Ingredient Pair | 23122097 |
Occurrence of the ingredient across TCM components
Ingredient ID: TCMC3126
Formula: C10H16
Ingredient ID: TCMC3126
| Common Name | 1-Isopropyl-4-Methylenebicyclo[3.1.0]Hexane,Sabinene |
| IUPAC Name | 4-methylidene-1-propan-2-ylbicyclo[3.1.0]hexane |
| Canonical SMILES | C=C1CCC2(C1C2)C(C)C |
| Standard InCHI | InChI=1S/C10H16/c1-7(2)10-5-4-8(3)9(10)6-10/h7,9H,3-6H2,1-2H3 |
| Standard InCHIKey | NDVASEGYNIMXJL-UHFFFAOYSA-N |
| External Identifiers | ChEMBL [CHEMBL452687]; PubChem [18818]; |
| Reference of Component-Ingredient Pair | 22953925 |
Occurrence of the ingredient across TCM components
| Component ID | Latin Name | Pinyin Name | Chinese Name |
|---|---|---|---|
| TCMH12 | Artemisia argyi | Ai Ye | 艾叶 |
| TCMH1835 | Kaempferia galanga | Shan Nai | 山柰 |
| TCMH2295 | fructus foeniculi | Xiao Hui Xiang | 小茴香 |
| TCMH243 | Pericarpium citri reticulatae | Chen Pi | 陈皮 |
| TCMH2618 | Citrus aurantium | Zhi Ke | 枳壳 |
| TCMH2630 | Citrus aurantium | Zhi Shi | 枳实 |
| TCMH512 | Fructus amomi rotundus | Dou Kou | 豆蔻 |
| TCMH544 | Curcuma aeruginosa | E Zhu | 莪术 |
Showing 1 to 8 of 8 entries
Ingredient ID: TCMC3120
Formula: C15H30O
Ingredient ID: TCMC3120
| Common Name | Pentadecanal |
| IUPAC Name | pentadecanal |
| Canonical SMILES | CCCCCCCCCCCCCCC=O |
| Standard InCHI | InChI=1S/C15H30O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16/h15H,2-14H2,1H3 |
| Standard InCHIKey | XGQJZNCFDLXSIJ-UHFFFAOYSA-N |
| External Identifiers | ChEMBL [N/A]; PubChem [17697]; |
| Reference of Component-Ingredient Pair | 22136358 |
Occurrence of the ingredient across TCM components
Ingredient ID: TCMC3099
Formula: C10H16
Ingredient ID: TCMC3099
| Common Name | 6,6-Dimethyl-2-Methylenebicyclo[3.1.1]Heptane,Β-Pinene |
| IUPAC Name | 6,6-dimethyl-2-methylidenebicyclo[3.1.1]heptane |
| Canonical SMILES | C=C1CCC2CC1C2(C)C |
| Standard InCHI | InChI=1S/C10H16/c1-7-4-5-8-6-9(7)10(8,2)3/h8-9H,1,4-6H2,2-3H3 |
| Standard InCHIKey | WTARULDDTDQWMU-UHFFFAOYSA-N |
| External Identifiers | ChEMBL [CHEMBL501351]; PubChem [14896]; |
| Reference of Component-Ingredient Pair | 29191726 |
Occurrence of the ingredient across TCM components
| Component ID | Latin Name | Pinyin Name | Chinese Name |
|---|---|---|---|
| TCMH12 | Artemisia argyi | Ai Ye | 艾叶 |
| TCMH1803 | Amomum villosum | Sha Ren | 砂仁 |
| TCMH1903 | Zingiber officinale | Sheng Jiang | 生姜 |
| TCMH214 | Alpinia katsumadai | Cao Dou Kou | 草豆蔻 |
| TCMH216 | Fructus tsaoko | Cao Guo | 草果 |
| TCMH2295 | fructus foeniculi | Xiao Hui Xiang | 小茴香 |
| TCMH2722 | Perilla frutescens var. arguta | Zi Su Ye | 紫苏叶 |
| TCMH512 | Fructus amomi rotundus | Dou Kou | 豆蔻 |
| TCMH544 | Curcuma aeruginosa | E Zhu | 莪术 |
Showing 1 to 9 of 9 entries
Ingredient ID: TCMC3096
Formula: C15H24O
Ingredient ID: TCMC3096
| Common Name | Caryophyllene Oxide |
| IUPAC Name | 4,12,12-trimethyl-9-methylidene-5-oxatricyclo[8.2.0.04,6]dodecane |
| Canonical SMILES | C=C1CCC2OC2(CCC2C1CC2(C)C)C |
| Standard InCHI | InChI=1S/C15H24O/c1-10-5-6-13-15(4,16-13)8-7-12-11(10)9-14(12,2)3/h11-13H,1,5-9H2,2-4H3 |
| Standard InCHIKey | NVEQFIOZRFFVFW-UHFFFAOYSA-N |
| External Identifiers | ChEMBL [N/A]; PubChem [14350]; |
| Reference of Component-Ingredient Pair | 20044567 |
Occurrence of the ingredient across TCM components
Ingredient ID: TCMC3063
Formula: C20H42O
Ingredient ID: TCMC3063
| Common Name | Arachic Alcohol,Eicosanol |
| IUPAC Name | icosan-1-ol |
| Canonical SMILES | CCCCCCCCCCCCCCCCCCCCO |
| Standard InCHI | InChI=1S/C20H42O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21/h21H,2-20H2,1H3 |
| Standard InCHIKey | BTFJIXJJCSYFAL-UHFFFAOYSA-N |
| External Identifiers | ChEMBL [CHEMBL451717]; PubChem [12404]; |
| Reference of Component-Ingredient Pair | 22451856 |
Occurrence of the ingredient across TCM components
Ingredient ID: TCMC3053
Formula: C18H36O2
Ingredient ID: TCMC3053
| Common Name | Ethyl Palmitate |
| IUPAC Name | ethyl hexadecanoate |
| Canonical SMILES | CCCCCCCCCCCCCCCC(=O)OCC |
| Standard InCHI | InChI=1S/C18H36O2/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20-4-2/h3-17H2,1-2H3 |
| Standard InCHIKey | XIRNKXNNONJFQO-UHFFFAOYSA-N |
| External Identifiers | ChEMBL [CHEMBL3561042]; PubChem [12366]; |
| Reference of Component-Ingredient Pair | 22136358 |
Occurrence of the ingredient across TCM components
| Component ID | Latin Name | Pinyin Name | Chinese Name |
|---|---|---|---|
| TCMH1127 | Lonicera japonica | Jin Yin Hua | 金银花 |
| TCMH12 | Artemisia argyi | Ai Ye | 艾叶 |
| TCMH130 | Pinellia ternata | Ban Xia | 半夏 |
| TCMH1768 | Panax notoginseng | San Qi | 三七 |
| TCMH1797 | Morus alba | Sang Ye | 桑叶 |
| TCMH1862 | Cornus officinalis | Shan Zhu Yu | 山茱萸 |
| TCMH1864 | Phytolacca esculenta | Shang Lu | 商陆 |
| TCMH305 | Cnidium officinale | Chuan Xiong | 川芎 |
| TCMH426 | Codonopsis pilosula | Dang Shen | 党参 |
Showing 1 to 9 of 9 entries
Ingredient ID: TCMC304
Formula: C10H18O
Ingredient ID: TCMC304
| Common Name | 2-(4-Methylcyclohex-3-En-1-Yl)Propan-2-Ol |
| IUPAC Name | 2-(4-methylcyclohex-3-en-1-yl)propan-2-ol |
| Canonical SMILES | CC1=CCC(CC1)C(O)(C)C |
| Standard InCHI | InChI=1S/C10H18O/c1-8-4-6-9(7-5-8)10(2,3)11/h4,9,11H,5-7H2,1-3H3 |
| Standard InCHIKey | WUOACPNHFRMFPN-UHFFFAOYSA-N |
| External Identifiers | ChEMBL [CHEMBL449810]; PubChem [17100]; |
| Reference of Component-Ingredient Pair | 26795242 |
Occurrence of the ingredient across TCM components
| Component ID | Latin Name | Pinyin Name | Chinese Name |
|---|---|---|---|
| TCMH1063 | Curcuma longa | Jiang Huang | 姜黄 |
| TCMH1064 | Coptis chinensis | Jiang Huang Lian | 姜黄连 |
| TCMH108 | Perilla frutescens | Bai Su Zi | 白苏子 |
| TCMH1127 | Lonicera japonica | Jin Yin Hua | 金银花 |
| TCMH1128 | Lonicera japonica | Jin Yin Hua Ti Qu Ye | 金银花提取液 |
| TCMH1161 | Coptis chinensis | Jiu Huang Lian | 酒黄连 |
| TCMH1165 | Murraya paniculata | Jiu Li Xiang | 九里香 |
| TCMH1178 | Citrus reticulata | Ju He | 橘核 |
| TCMH1184 | Citrus reticulata | Ju Pi | 橘皮 |
| TCMH12 | Artemisia argyi | Ai Ye | 艾叶 |
Showing 1 to 10 of 129 entries
Ingredient ID: TCMC3036
Formula: C10H16
Ingredient ID: TCMC3036
| Common Name | Terpinolene,Α-Terpinolene |
| IUPAC Name | 1-methyl-4-propan-2-ylidenecyclohexene |
| Canonical SMILES | CC1=CCC(=C(C)C)CC1 |
| Standard InCHI | InChI=1S/C10H16/c1-8(2)10-6-4-9(3)5-7-10/h4H,5-7H2,1-3H3 |
| Standard InCHIKey | MOYAFQVGZZPNRA-UHFFFAOYSA-N |
| External Identifiers | ChEMBL [CHEMBL454697]; PubChem [11463]; |
| Reference of Component-Ingredient Pair | 22539043 |
Occurrence of the ingredient across TCM components
Ingredient ID: TCMC3014
Formula: C15H24
Ingredient ID: TCMC3014
| Common Name | Β-Cadinene |
| IUPAC Name | (1S,4aR,8aS)-4,7-dimethyl-1-propan-2-yl-1,2,4a,5,8,8a-hexahydronaphthalene |
| Canonical SMILES | CC1=CC[C@@H]2[C@@H](C1)[C@@H](CC=C2C)C(C)C |
| Standard InCHI | InChI=1S/C15H24/c1-10(2)13-8-6-12(4)14-7-5-11(3)9-15(13)14/h5-6,10,13-15H,7-9H2,1-4H3/t13-,14-,15-/m0/s1 |
| Standard InCHIKey | USDOQCCMRDNVAH-KKUMJFAQSA-N |
| External Identifiers | ChEMBL [CHEMBL3120653]; PubChem [10657]; |
| Reference of Component-Ingredient Pair | 28883829 |
Occurrence of the ingredient across TCM components
Ingredient ID: TCMC3013
Formula: C15H24
Ingredient ID: TCMC3013
| Common Name | Α-Elemene,Β-Elemene |
| IUPAC Name | 1-ethenyl-1-methyl-2,4-bis(prop-1-en-2-yl)cyclohexane |
| Canonical SMILES | C=CC1(C)CCC(CC1C(=C)C)C(=C)C |
| Standard InCHI | InChI=1S/C15H24/c1-7-15(6)9-8-13(11(2)3)10-14(15)12(4)5/h7,13-14H,1-2,4,8-10H2,3,5-6H3 |
| Standard InCHIKey | OPFTUNCRGUEPRZ-UHFFFAOYSA-N |
| External Identifiers | ChEMBL [N/A]; PubChem [10583]; |
| Reference of Component-Ingredient Pair | 22408409 |
Occurrence of the ingredient across TCM components
Ingredient ID: TCMC3012
Formula: C10H16O
Ingredient ID: TCMC3012
| Common Name | Myrtenol |
| IUPAC Name | (6,6-dimethyl-2-bicyclo[3.1.1]hept-2-enyl)methanol |
| Canonical SMILES | OCC1=CCC2CC1C2(C)C |
| Standard InCHI | InChI=1S/C10H16O/c1-10(2)8-4-3-7(6-11)9(10)5-8/h3,8-9,11H,4-6H2,1-2H3 |
| Standard InCHIKey | RXBQNMWIQKOSCS-UHFFFAOYSA-N |
| External Identifiers | ChEMBL [CHEMBL443408]; PubChem [10582]; |
| Reference of Component-Ingredient Pair | 21299131 |
Occurrence of the ingredient across TCM components
Ingredient ID: TCMC3003
Formula: C18H36O
Ingredient ID: TCMC3003
| Common Name | Fitone,Hexahydrofarnesyl Acetone |
| IUPAC Name | 6,10,14-trimethylpentadecan-2-one |
| Canonical SMILES | CC(CCCC(C)C)CCCC(CCCC(=O)C)C |
| Standard InCHI | InChI=1S/C18H36O/c1-15(2)9-6-10-16(3)11-7-12-17(4)13-8-14-18(5)19/h15-17H,6-14H2,1-5H3 |
| Standard InCHIKey | WHWDWIHXSPCOKZ-UHFFFAOYSA-N |
| External Identifiers | ChEMBL [N/A]; PubChem [10408]; |
| Reference of Component-Ingredient Pair | 22555293 |
Occurrence of the ingredient across TCM components
Ingredient ID: TCMC2996
Formula: C10H18O
Ingredient ID: TCMC2996
| Common Name | Piperitol |
| IUPAC Name | 3-methyl-6-propan-2-ylcyclohex-2-en-1-ol |
| Canonical SMILES | CC1=CC(C(CC1)C(C)C)O |
| Standard InCHI | InChI=1S/C10H18O/c1-7(2)9-5-4-8(3)6-10(9)11/h6-7,9-11H,4-5H2,1-3H3 |
| Standard InCHIKey | HPOHAUWWDDPHRS-UHFFFAOYSA-N |
| External Identifiers | ChEMBL [N/A]; PubChem [10282]; |
| Reference of Component-Ingredient Pair | 15863882 |
Occurrence of the ingredient across TCM components
Ingredient ID: TCMC2988
Formula: C10H16
Ingredient ID: TCMC2988
| Common Name | Bornylene |
| IUPAC Name | 1,7,7-trimethylbicyclo[2.2.1]hept-2-ene |
| Canonical SMILES | CC1(C)C2CCC1(C)C=C2 |
| Standard InCHI | InChI=1S/C10H16/c1-9(2)8-4-6-10(9,3)7-5-8/h4,6,8H,5,7H2,1-3H3 |
| Standard InCHIKey | KUKRLSJNTMLPPK-UHFFFAOYSA-N |
| External Identifiers | ChEMBL [N/A]; PubChem [10047]; |
| Reference of Component-Ingredient Pair | 18297261 |
Occurrence of the ingredient across TCM components
Ingredient ID: TCMC2978
Formula: C10H18O
Ingredient ID: TCMC2978
| Common Name | 1-Terpineol,Β-Terpineol |
| IUPAC Name | 1-methyl-4-prop-1-en-2-ylcyclohexan-1-ol |
| Canonical SMILES | CC(=C)C1CCC(CC1)(C)O |
| Standard InCHI | InChI=1S/C10H18O/c1-8(2)9-4-6-10(3,11)7-5-9/h9,11H,1,4-7H2,2-3H3 |
| Standard InCHIKey | RUJPNZNXGCHGID-UHFFFAOYSA-N |
| External Identifiers | ChEMBL [CHEMBL3184678]; PubChem [8748]; |
| Reference of Component-Ingredient Pair | 11413487 |
Occurrence of the ingredient across TCM components
Ingredient ID: TCMC2976
Formula: C5H12O
Ingredient ID: TCMC2976
| Common Name | 2-Methylbutanol |
| IUPAC Name | 2-methylbutan-1-ol |
| Canonical SMILES | CCC(CO)C |
| Standard InCHI | InChI=1S/C5H12O/c1-3-5(2)4-6/h5-6H,3-4H2,1-2H3 |
| Standard InCHIKey | QPRQEDXDYOZYLA-UHFFFAOYSA-N |
| External Identifiers | ChEMBL [CHEMBL451923]; PubChem [8723]; |
| Reference of Component-Ingredient Pair | 22986207 |
Occurrence of the ingredient across TCM components
Ingredient ID: TCMC2942
Formula: C13H22O2
Ingredient ID: TCMC2942
| Common Name | Nerol Propionate |
| IUPAC Name | 3,7-dimethylocta-2,6-dienyl propanoate |
| Canonical SMILES | CCC(=O)OCC=C(CCC=C(C)C)C |
| Standard InCHI | InChI=1S/C13H22O2/c1-5-13(14)15-10-9-12(4)8-6-7-11(2)3/h7,9H,5-6,8,10H2,1-4H3 |
| Standard InCHIKey | BYCHQEILESTMQU-UHFFFAOYSA-N |
| External Identifiers | ChEMBL [N/A]; PubChem [7782]; |
| Reference of Component-Ingredient Pair | 22606039 |
Occurrence of the ingredient across TCM components
Ingredient ID: TCMC2936
Formula: C12H12N2
Ingredient ID: TCMC2936
| Common Name | Vinyl 2,2-Dimethyl-3-Phenyl-Propionate |
| IUPAC Name | 4-N-phenylbenzene-1,4-diamine |
| Canonical SMILES | Nc1ccc(cc1)Nc1ccccc1 |
| Standard InCHI | InChI=1S/C12H12N2/c13-10-6-8-12(9-7-10)14-11-4-2-1-3-5-11/h1-9,14H,13H2 |
| Standard InCHIKey | ATGUVEKSASEFFO-UHFFFAOYSA-N |
| External Identifiers | ChEMBL [CHEMBL572203]; PubChem [7564]; |
| Reference of Component-Ingredient Pair | 22567565 |
Occurrence of the ingredient across TCM components
Ingredient ID: TCMC2934
Formula: C6H12O2
Ingredient ID: TCMC2934
| Common Name | 2-Methanol Tetrahydropyran |
| IUPAC Name | oxan-2-ylmethanol |
| Canonical SMILES | OCC1CCCCO1 |
| Standard InCHI | InChI=1S/C6H12O2/c7-5-6-3-1-2-4-8-6/h6-7H,1-5H2 |
| Standard InCHIKey | ROTONRWJLXYJBD-UHFFFAOYSA-N |
| External Identifiers | ChEMBL [N/A]; PubChem [7524]; |
| Reference of Component-Ingredient Pair | 27025898 |
Occurrence of the ingredient across TCM components
Ingredient ID: TCMC2931
Formula: C10H16
Ingredient ID: TCMC2931
| Common Name | 1-Isopropyl-4-Methylcyclohexa-1,3-Diene,Terpilene,Α-Terpinene |
| IUPAC Name | 1-methyl-4-propan-2-ylcyclohexa-1,3-diene |
| Canonical SMILES | CC1=CC=C(CC1)C(C)C |
| Standard InCHI | InChI=1S/C10H16/c1-8(2)10-6-4-9(3)5-7-10/h4,6,8H,5,7H2,1-3H3 |
| Standard InCHIKey | YHQGMYUVUMAZJR-UHFFFAOYSA-N |
| External Identifiers | ChEMBL [CHEMBL2251642]; PubChem [7462]; |
| Reference of Component-Ingredient Pair | 23030436 |
Occurrence of the ingredient across TCM components
| Component ID | Latin Name | Pinyin Name | Chinese Name |
|---|---|---|---|
| TCMH1005 | Cannabis sativa | Huo Ma Ren | 火麻仁 |
| TCMH12 | Artemisia argyi | Ai Ye | 艾叶 |
| TCMH1368 | Apocyni veneti folium | Luo Bu Ma Ye | 罗布麻叶 |
| TCMH1695 | Pericarpium citri reticulatae viride | Qing Pi | 青皮 |
| TCMH1866 | Cnidium monnieri | She Chuang Zi | 蛇床子 |
| TCMH2202 | Schisandra chinensis | Wu Wei Zi | 五味子 |
| TCMH33 | Illicium verum | Ba Jiao Hui Xiang | 八角茴香 |
| TCMH517 | Angelica pubescens | Du Huo | 独活 |
| TCMH544 | Curcuma aeruginosa | E Zhu | 莪术 |
Showing 1 to 9 of 9 entries
Ingredient ID: TCMC2930
Formula: C10H16
Ingredient ID: TCMC2930
| Common Name | 5-Isopropyl-2-Methylcyclohexa-1,3-Diene,Α-Phellandrene |
| IUPAC Name | 2-methyl-5-propan-2-ylcyclohexa-1,3-diene |
| Canonical SMILES | CC1=CCC(C=C1)C(C)C |
| Standard InCHI | InChI=1S/C10H16/c1-8(2)10-6-4-9(3)5-7-10/h4-6,8,10H,7H2,1-3H3 |
| Standard InCHIKey | OGLDWXZKYODSOB-UHFFFAOYSA-N |
| External Identifiers | ChEMBL [CHEMBL3188459]; PubChem [7460]; |
| Reference of Component-Ingredient Pair | 22674887 |
Occurrence of the ingredient across TCM components
| Component ID | Latin Name | Pinyin Name | Chinese Name |
|---|---|---|---|
| TCMH12 | Artemisia argyi | Ai Ye | 艾叶 |
| TCMH1803 | Amomum villosum | Sha Ren | 砂仁 |
| TCMH1835 | Kaempferia galanga | Shan Nai | 山柰 |
| TCMH2295 | fructus foeniculi | Xiao Hui Xiang | 小茴香 |
| TCMH33 | Illicium verum | Ba Jiao Hui Xiang | 八角茴香 |
| TCMH512 | Fructus amomi rotundus | Dou Kou | 豆蔻 |
| TCMH544 | Curcuma aeruginosa | E Zhu | 莪术 |
Showing 1 to 7 of 7 entries
Ingredient ID: TCMC2915
Formula: C10H16O
Ingredient ID: TCMC2915
| Common Name | Piperitone |
| IUPAC Name | 3-methyl-6-propan-2-ylcyclohex-2-en-1-one |
| Canonical SMILES | CC1=CC(=O)C(CC1)C(C)C |
| Standard InCHI | InChI=1S/C10H16O/c1-7(2)9-5-4-8(3)6-10(9)11/h6-7,9H,4-5H2,1-3H3 |
| Standard InCHIKey | YSTPAHQEHQSRJD-UHFFFAOYSA-N |
| External Identifiers | ChEMBL [CHEMBL2252746]; PubChem [6987]; |
| Reference of Component-Ingredient Pair | 23074915 |
Occurrence of the ingredient across TCM components
Ingredient ID: TCMC2901
Formula: C10H16
Ingredient ID: TCMC2901
| Common Name | 2,2-Dimethyl-3-Methylenebicyclo[2.2.1]Heptane,Camphene |
| IUPAC Name | 2,2-dimethyl-3-methylidenebicyclo[2.2.1]heptane |
| Canonical SMILES | C=C1C2CCC(C1(C)C)C2 |
| Standard InCHI | InChI=1S/C10H16/c1-7-8-4-5-9(6-8)10(7,2)3/h8-9H,1,4-6H2,2-3H3 |
| Standard InCHIKey | CRPUJAZIXJMDBK-UHFFFAOYSA-N |
| External Identifiers | ChEMBL [CHEMBL2268550]; PubChem [6616]; |
| Reference of Component-Ingredient Pair | 23449869 |
Occurrence of the ingredient across TCM components
| Component ID | Latin Name | Pinyin Name | Chinese Name |
|---|---|---|---|
| TCMH12 | Artemisia argyi | Ai Ye | 艾叶 |
| TCMH1803 | Amomum villosum | Sha Ren | 砂仁 |
| TCMH1835 | Kaempferia galanga | Shan Nai | 山柰 |
| TCMH1866 | Cnidium monnieri | She Chuang Zi | 蛇床子 |
| TCMH214 | Alpinia katsumadai | Cao Dou Kou | 草豆蔻 |
| TCMH2295 | fructus foeniculi | Xiao Hui Xiang | 小茴香 |
| TCMH2722 | Perilla frutescens var. arguta | Zi Su Ye | 紫苏叶 |
| TCMH33 | Illicium verum | Ba Jiao Hui Xiang | 八角茴香 |
| TCMH512 | Fructus amomi rotundus | Dou Kou | 豆蔻 |
| TCMH544 | Curcuma aeruginosa | E Zhu | 莪术 |
Showing 1 to 10 of 10 entries
Ingredient ID: TCMC289
Formula: C5H12O
Ingredient ID: TCMC289
| Common Name | 1-Pentanol |
| IUPAC Name | pentan-1-ol |
| Canonical SMILES | CCCCCO |
| Standard InCHI | InChI=1S/C5H12O/c1-2-3-4-5-6/h6H,2-5H2,1H3 |
| Standard InCHIKey | AMQJEAYHLZJPGS-UHFFFAOYSA-N |
| External Identifiers | ChEMBL [CHEMBL14568]; PubChem [6276]; |
| Reference of Component-Ingredient Pair | 23080400 |
Occurrence of the ingredient across TCM components
| Component ID | Latin Name | Pinyin Name | Chinese Name |
|---|---|---|---|
| TCMH1185 | Lycium chinense | Gou Qi | 枸杞 |
| TCMH1186 | Lycium chinense | Gou Qi Zi | 枸杞子 |
| TCMH12 | Artemisia argyi | Ai Ye | 艾叶 |
| TCMH1225 | Valeriana officinalis | Kuan Ye Xie Cao | 宽叶缬草 |
| TCMH13 | Artemisia argyi | Ai Ye You | 艾叶油 |
| TCMH1531 | Akebia quinata | Mu Tong | 木通 |
| TCMH1734 | Homo sapiens | Ren Zhong Bai | 人中白 |
| TCMH2211 | Artemisia princeps | Wu Yue Ai | 五月艾 |
| TCMH228 | Bupleurum chinense | Chai Hu | 柴胡 |
| TCMH229 | Bupleurum chinense | Chai Hu Jin Gao | 柴胡浸膏 |
Showing 1 to 10 of 20 entries
Ingredient ID: TCMC2854
Formula: C8H8O
Ingredient ID: TCMC2854
| Common Name | Phenylacetaldehyde |
| IUPAC Name | 2-phenylacetaldehyde |
| Canonical SMILES | O=CCc1ccccc1 |
| Standard InCHI | InChI=1S/C8H8O/c9-7-6-8-4-2-1-3-5-8/h1-5,7H,6H2 |
| Standard InCHIKey | DTUQWGWMVIHBKE-UHFFFAOYSA-N |
| External Identifiers | ChEMBL [CHEMBL1233464]; PubChem [998]; |
| Reference of Component-Ingredient Pair | 26795242 |
Occurrence of the ingredient across TCM components
Ingredient ID: TCMC2822
Formula: C15H24
Ingredient ID: TCMC2822
| Common Name | Alpha-Humulone |
| IUPAC Name | (1E,4E,8E)-2,6,6,9-tetramethylcycloundeca-1,4,8-triene |
| Canonical SMILES | C/C/1=CCC(C)(C)/C=C/C/C(=C/CC1)/C |
| Standard InCHI | InChI=1S/C15H24/c1-13-7-5-8-14(2)10-12-15(3,4)11-6-9-13/h6-7,10-11H,5,8-9,12H2,1-4H3/b11-6+,13-7+,14-10+ |
| Standard InCHIKey | FAMPSKZZVDUYOS-HRGUGZIWSA-N |
| External Identifiers | ChEMBL [CHEMBL251280]; PubChem [5281520]; |
| Reference of Component-Ingredient Pair | 29248443 |
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 |
| TCMH1142 | Schizonepetae spica | Jing Jie Sui | 荆芥穗 |
| TCMH1144 | Schizonepetae herba | Jing Jie Tan | 荆芥炭 |
| TCMH1165 | Murraya paniculata | Jiu Li Xiang | 九里香 |
Showing 1 to 10 of 111 entries
Ingredient ID: TCMC2815
Formula: C15H24
Ingredient ID: TCMC2815
| Common Name | Caryophyllene |
| IUPAC Name | (1R,4Z,9S)-4,11,11-trimethyl-8-methylidenebicyclo[7.2.0]undec-4-ene |
| Canonical SMILES | C/C/1=C/CCC(=C)[C@@H]2[C@@H](CC1)C(C2)(C)C |
| Standard InCHI | InChI=1S/C15H24/c1-11-6-5-7-12(2)13-10-15(3,4)14(13)9-8-11/h6,13-14H,2,5,7-10H2,1,3-4H3/b11-6-/t13-,14-/m1/s1 |
| Standard InCHIKey | NPNUFJAVOOONJE-FLFDDASRSA-N |
| External Identifiers | ChEMBL [CHEMBL448700]; PubChem [5281522]; |
| Reference of Component-Ingredient Pair | 26424685 |
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 |
| TCMH1063 | Curcuma longa | Jiang Huang | 姜黄 |
| TCMH108 | Perilla frutescens | Bai Su Zi | 白苏子 |
| TCMH1165 | Murraya paniculata | Jiu Li Xiang | 九里香 |
| 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 |
Showing 1 to 10 of 68 entries
Ingredient ID: TCMC2805
Formula: C17H14O6
Ingredient ID: TCMC2805
| Common Name | Ladanein |
| IUPAC Name | 5,6-dihydroxy-7-methoxy-2-(4-methoxyphenyl)chromen-4-one |
| Canonical SMILES | COc1ccc(cc1)c1cc(=O)c2c(o1)cc(c(c2O)O)OC |
| Standard InCHI | InChI=1S/C17H14O6/c1-21-10-5-3-9(4-6-10)12-7-11(18)15-13(23-12)8-14(22-2)16(19)17(15)20/h3-8,19-20H,1-2H3 |
| Standard InCHIKey | UUQJTIHOVGMQIH-UHFFFAOYSA-N |
| External Identifiers | ChEMBL [CHEMBL209257]; PubChem [3084066]; |
| Reference of Component-Ingredient Pair | 22623883 |
Occurrence of the ingredient across TCM components
Ingredient ID: TCMC274
Formula: C6H14O
Ingredient ID: TCMC274
| Common Name | 1-Hexanol |
| IUPAC Name | hexan-1-ol |
| Canonical SMILES | CCCCCCO |
| Standard InCHI | InChI=1S/C6H14O/c1-2-3-4-5-6-7/h7H,2-6H2,1H3 |
| Standard InCHIKey | ZSIAUFGUXNUGDI-UHFFFAOYSA-N |
| External Identifiers | ChEMBL [CHEMBL14085]; PubChem [8103]; |
| Reference of Component-Ingredient Pair | 22970999 |
Occurrence of the ingredient across TCM components
| Component ID | Latin Name | Pinyin Name | Chinese Name |
|---|---|---|---|
| TCMH108 | Perilla frutescens | Bai Su Zi | 白苏子 |
| 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 |
| TCMH1185 | Lycium chinense | Gou Qi | 枸杞 |
| TCMH1186 | Lycium chinense | Gou Qi Zi | 枸杞子 |
| 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 59 entries
Ingredient ID: TCMC2671
Formula: C8H14O
Ingredient ID: TCMC2671
| Common Name | (E)-2-Octenal |
| IUPAC Name | (E)-oct-2-enal |
| Canonical SMILES | CCCCC/C=C/C=O |
| Standard InCHI | InChI=1S/C8H14O/c1-2-3-4-5-6-7-8-9/h6-8H,2-5H2,1H3/b7-6+ |
| Standard InCHIKey | LVBXEMGDVWVTGY-VOTSOKGWSA-N |
| External Identifiers | ChEMBL [CHEMBL448058]; PubChem [5283324]; |
| Reference of Component-Ingredient Pair | 20699116 |
Occurrence of the ingredient across TCM components
| Component ID | Latin Name | Pinyin Name | Chinese Name |
|---|---|---|---|
| TCMH12 | Artemisia argyi | Ai Ye | 艾叶 |
| TCMH1211 | Melia azedarach | Ku Lian Pi | 苦楝皮 |
| TCMH1212 | Melia azedarach | Ku Lian Zi | 苦楝子 |
| TCMH1226 | Laminaria japonica | Kun Bu | 昆布 |
| TCMH1296 | Ganoderma lucidum | Ling Zhi Jin Gao | 灵芝浸膏 |
| TCMH1299 | Ganoderma lucidum | Ling Zhi(1) | 灵芝 |
| TCMH13 | Artemisia argyi | Ai Ye You | 艾叶油 |
| TCMH1734 | Homo sapiens | Ren Zhong Bai | 人中白 |
| TCMH1770 | Panax notoginseng | San Qi Gan Jin Gao | 三七干浸膏 |
| TCMH1771 | Panax notoginseng | San Qi Gao Fen | 三七膏粉 |
Showing 1 to 10 of 34 entries
Ingredient ID: TCMC2644
Formula: C7H12O
Ingredient ID: TCMC2644
| Common Name | (E)-2-Heptenal |
| IUPAC Name | (E)-hept-2-enal |
| Canonical SMILES | CCCC/C=C/C=O |
| Standard InCHI | InChI=1S/C7H12O/c1-2-3-4-5-6-7-8/h5-7H,2-4H2,1H3/b6-5+ |
| Standard InCHIKey | NDFKTBCGKNOHPJ-AATRIKPKSA-N |
| External Identifiers | ChEMBL [CHEMBL454759]; PubChem [5283316]; |
| Reference of Component-Ingredient Pair | 23004348 |
Occurrence of the ingredient across TCM components
| Component ID | Latin Name | Pinyin Name | Chinese Name |
|---|---|---|---|
| TCMH1185 | Lycium chinense | Gou Qi | 枸杞 |
| TCMH1186 | Lycium chinense | Gou Qi Zi | 枸杞子 |
| TCMH12 | Artemisia argyi | Ai Ye | 艾叶 |
| TCMH120 | Atractylodes macrocephala | Bai Zhu | 白术 |
| TCMH13 | Artemisia argyi | Ai Ye You | 艾叶油 |
| TCMH1343 | Aloe vera | Lu Hui | 芦荟 |
| TCMH1531 | Akebia quinata | Mu Tong | 木通 |
| TCMH1721 | Panax ginseng | Ren Shen | 人参 |
| TCMH1728 | Panax ginseng | Ren Shen Ye | 人参叶 |
| TCMH1770 | Panax notoginseng | San Qi Gan Jin Gao | 三七干浸膏 |
Showing 1 to 10 of 36 entries
Ingredient ID: TCMC2581
Formula: C12H26O
Ingredient ID: TCMC2581
| Common Name | Dodecanol |
| IUPAC Name | dodecan-1-ol |
| Canonical SMILES | CCCCCCCCCCCCO |
| Standard InCHI | InChI=1S/C12H26O/c1-2-3-4-5-6-7-8-9-10-11-12-13/h13H,2-12H2,1H3 |
| Standard InCHIKey | LQZZUXJYWNFBMV-UHFFFAOYSA-N |
| External Identifiers | ChEMBL [CHEMBL24722]; PubChem [8193]; |
| Reference of Component-Ingredient Pair | 29968805 |
Occurrence of the ingredient across TCM components
| Component ID | Latin Name | Pinyin Name | Chinese Name |
|---|---|---|---|
| TCMH12 | Artemisia argyi | Ai Ye | 艾叶 |
| TCMH1275 | Nelumbo nucifera | Lian Zi | 莲子 |
| TCMH1276 | Nelumbo nucifera | Lian Zi Xin | 莲子心 |
| TCMH13 | Artemisia argyi | Ai Ye You | 艾叶油 |
| TCMH1518 | Chaenomeles sinensis | Mu Gua | 木瓜 |
| TCMH1598 | Nelumbo nucifera | Ou | 藕 |
| TCMH1599 | Nelumbo nucifera | Ou Fen | 藕粉 |
| TCMH1601 | Nelumbo nucifera | Ou Pian | 藕片 |
| TCMH1721 | Panax ginseng | Ren Shen | 人参 |
| TCMH1728 | Panax ginseng | Ren Shen Ye | 人参叶 |
Showing 1 to 10 of 19 entries
Ingredient ID: TCMC2550
Formula: C15H24
Ingredient ID: TCMC2550
| Common Name | (+)-Germacrene D |
| IUPAC Name | (1E,6E,8R)-1-methyl-5-methylidene-8-propan-2-ylcyclodeca-1,6-diene |
| Canonical SMILES | C/C/1=CCCC(=C)/C=C/[C@H](CC1)C(C)C |
| Standard InCHI | InChI=1S/C15H24/c1-12(2)15-10-8-13(3)6-5-7-14(4)9-11-15/h7-8,10,12,15H,3,5-6,9,11H2,1-2,4H3/b10-8+,14-7+/t15-/m1/s1 |
| Standard InCHIKey | GAIBLDCXCZKKJE-RGZOGPIRSA-N |
| External Identifiers | ChEMBL [CHEMBL1836650]; PubChem [24771782]; |
| Reference of Component-Ingredient Pair | N/A |
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 |
| TCMH1127 | Lonicera japonica | Jin Yin Hua | 金银花 |
| TCMH1128 | Lonicera japonica | Jin Yin Hua Ti Qu Ye | 金银花提取液 |
| TCMH1141 | Schizonepeta tenuifolia | Jing Jie | 荆芥 |
| TCMH1165 | Murraya paniculata | Jiu Li Xiang | 九里香 |
| TCMH1178 | Citrus reticulata | Ju He | 橘核 |
| TCMH1184 | Citrus reticulata | Ju Pi | 橘皮 |
| TCMH12 | Artemisia argyi | Ai Ye | 艾叶 |
Showing 1 to 10 of 59 entries
Ingredient ID: TCMC2541
Formula: C10H18O
Ingredient ID: TCMC2541
| Common Name | Alpha-Terpineol |
| IUPAC Name | 2-[(1S)-4-methylcyclohex-3-en-1-yl]propan-2-ol |
| Canonical SMILES | CC1=CC[C@H](CC1)C(O)(C)C |
| Standard InCHI | InChI=1S/C10H18O/c1-8-4-6-9(7-5-8)10(2,3)11/h4,9,11H,5-7H2,1-3H3/t9-/m1/s1 |
| Standard InCHIKey | WUOACPNHFRMFPN-SECBINFHSA-N |
| External Identifiers | ChEMBL [CHEMBL447597]; PubChem [443162]; |
| Reference of Component-Ingredient Pair | 27231091 |
Occurrence of the ingredient across TCM components
| Component ID | Latin Name | Pinyin Name | Chinese Name |
|---|---|---|---|
| TCMH1033 | Centella asiatica | Ji Xue Cao | 积雪草 |
| TCMH1063 | Curcuma longa | Jiang Huang | 姜黄 |
| TCMH1064 | Coptis chinensis | Jiang Huang Lian | 姜黄连 |
| TCMH108 | Perilla frutescens | Bai Su Zi | 白苏子 |
| TCMH1127 | Lonicera japonica | Jin Yin Hua | 金银花 |
| TCMH1128 | Lonicera japonica | Jin Yin Hua Ti Qu Ye | 金银花提取液 |
| TCMH114 | Platycladus orientalis | Bai Ye | 柏叶 |
| TCMH1161 | Coptis chinensis | Jiu Huang Lian | 酒黄连 |
| TCMH1165 | Murraya paniculata | Jiu Li Xiang | 九里香 |
| TCMH1175 | Cornus officinalis | Jiu Yu Rou | 酒萸肉 |
Showing 1 to 10 of 143 entries
Ingredient ID: TCMC2539
Formula: C10H16
Ingredient ID: TCMC2539
| Common Name | Gamma-Terpinene |
| IUPAC Name | 1-methyl-4-propan-2-ylcyclohexa-1,4-diene |
| Canonical SMILES | CC1=CCC(=CC1)C(C)C |
| Standard InCHI | InChI=1S/C10H16/c1-8(2)10-6-4-9(3)5-7-10/h4,7-8H,5-6H2,1-3H3 |
| Standard InCHIKey | YKFLAYDHMOASIY-UHFFFAOYSA-N |
| External Identifiers | ChEMBL [CHEMBL449693]; PubChem [7461]; |
| Reference of Component-Ingredient Pair | 29191726 |
Occurrence of the ingredient across TCM components
| Component ID | Latin Name | Pinyin Name | Chinese Name |
|---|---|---|---|
| TCMH1000 | Foeniculum vulgare | Hui Xiang | 茴香 |
| TCMH1033 | Centella asiatica | Ji Xue Cao | 积雪草 |
| TCMH1063 | Curcuma longa | Jiang Huang | 姜黄 |
| TCMH114 | Platycladus orientalis | Bai Ye | 柏叶 |
| TCMH1178 | Citrus reticulata | Ju He | 橘核 |
| TCMH1184 | Citrus reticulata | Ju Pi | 橘皮 |
| TCMH12 | Artemisia argyi | Ai Ye | 艾叶 |
| TCMH1225 | Valeriana officinalis | Kuan Ye Xie Cao | 宽叶缬草 |
| TCMH1272 | Forsythia suspensa | Lian Qiao | 连翘 |
| TCMH1280 | Rhizoma ahemones daddeanae | Liang Tou Jian | 两头尖 |
Showing 1 to 10 of 92 entries
Ingredient ID: TCMC2510
Formula: C15H26O
Ingredient ID: TCMC2510
| Common Name | Nerolidiol |
| IUPAC Name | (3S,6Z)-3,7,11-trimethyldodeca-1,6,10-trien-3-ol |
| Canonical SMILES | C=C[C@](CC/C=C(CCC=C(C)C)/C)(O)C |
| Standard InCHI | InChI=1S/C15H26O/c1-6-15(5,16)12-8-11-14(4)10-7-9-13(2)3/h6,9,11,16H,1,7-8,10,12H2,2-5H3/b14-11-/t15-/m1/s1 |
| Standard InCHIKey | FQTLCLSUCSAZDY-QKXCFHHRSA-N |
| External Identifiers | ChEMBL [CHEMBL561014]; PubChem [5356544]; |
| Reference of Component-Ingredient Pair | 11731906 |
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 |
| TCMH1127 | Lonicera japonica | Jin Yin Hua | 金银花 |
| TCMH1128 | Lonicera japonica | Jin Yin Hua Ti Qu Ye | 金银花提取液 |
| TCMH12 | Artemisia argyi | Ai Ye | 艾叶 |
| TCMH122 | Lobelia chinensis | Ban Bian Lian | 半边莲 |
| TCMH13 | Artemisia argyi | Ai Ye You | 艾叶油 |
| TCMH1714 | Lonicera japonica | Ren Dong Teng | 忍冬藤 |
| TCMH1721 | Panax ginseng | Ren Shen | 人参 |
Showing 1 to 10 of 54 entries
Ingredient ID: TCMC2484
Formula: C10H18O
Ingredient ID: TCMC2484
| Common Name | Terpineol |
| IUPAC Name | 4-methyl-1-propan-2-ylcyclohex-3-en-1-ol |
| Canonical SMILES | CC1=CCC(CC1)(O)C(C)C |
| Standard InCHI | InChI=1S/C10H18O/c1-8(2)10(11)6-4-9(3)5-7-10/h4,8,11H,5-7H2,1-3H3 |
| Standard InCHIKey | WRYLYDPHFGVWKC-UHFFFAOYSA-N |
| External Identifiers | ChEMBL [CHEMBL507795]; PubChem [11230]; |
| Reference of Component-Ingredient Pair | 23122094 |
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 |
| 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 |
| TCMH1225 | Valeriana officinalis | Kuan Ye Xie Cao | 宽叶缬草 |
| TCMH1272 | Forsythia suspensa | Lian Qiao | 连翘 |
| TCMH13 | Artemisia argyi | Ai Ye You | 艾叶油 |
Showing 1 to 10 of 101 entries
Ingredient ID: TCMC2430
Formula: C16H12O5
Ingredient ID: TCMC2430
| Common Name | 3'-Methoxydaidzein |
| IUPAC Name | 7-hydroxy-3-(4-hydroxy-3-methoxyphenyl)chromen-4-one |
| Canonical SMILES | COc1cc(ccc1O)c1coc2c(c1=O)ccc(c2)O |
| Standard InCHI | InChI=1S/C16H12O5/c1-20-15-6-9(2-5-13(15)18)12-8-21-14-7-10(17)3-4-11(14)16(12)19/h2-8,17-18H,1H3 |
| Standard InCHIKey | MUYAUELJBWQNDH-UHFFFAOYSA-N |
| External Identifiers | ChEMBL [CHEMBL450602]; PubChem [5319422]; |
| Reference of Component-Ingredient Pair | 21355238 |
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 |
| 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 |
| TCMH538 | Oxytropis falcata | E Da Xia | 莪大夏 |
| TCMH733 | Desmodium styracifolium | Guang Jin Qian Cao | 广金钱草 |
| TCMH79 | Sinapis alba | Bai Jie Zi | 白芥子 |
Showing 1 to 8 of 8 entries
Ingredient ID: TCMC2409
Formula: C20H28O2
Ingredient ID: TCMC2409
| Common Name | Dehydroabietic Acid |
| IUPAC Name | (1R,4aS,10aR)-1,4a-dimethyl-7-propan-2-yl-2,3,4,9,10,10a-hexahydrophenanthrene-1-carboxylic acid |
| Canonical SMILES | OC(=O)[C@]1(C)CCC[C@]2([C@H]1CCc1c2ccc(c1)C(C)C)C |
| Standard InCHI | InChI=1S/C20H28O2/c1-13(2)14-6-8-16-15(12-14)7-9-17-19(16,3)10-5-11-20(17,4)18(21)22/h6,8,12-13,17H,5,7,9-11H2,1-4H3,(H,21,22)/t17-,19-,20-/m1/s1 |
| Standard InCHIKey | NFWKVWVWBFBAOV-MISYRCLQSA-N |
| External Identifiers | ChEMBL [CHEMBL12850]; PubChem [94391]; |
| Reference of Component-Ingredient Pair | 22066445 |
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 |
| TCMH1348 | Liquidambar formosana | Lu Lu Tong | 路路通 |
| TCMH1734 | Homo sapiens | Ren Zhong Bai | 人中白 |
| TCMH2200 | Firmiana simplex | Wu Tong Ye Jin Gao | 梧桐叶浸膏 |
| TCMH2710 | Homo sapiens | Zi He Che | 紫河车 |
| TCMH592 | Liquidambar formosana | Feng Xiang Ye | 枫香叶 |
| TCMH594 | Liquidambar formosana | Feng Xiang Zhi Chou Gao | 枫香脂稠膏 |
Showing 1 to 8 of 8 entries
Ingredient ID: TCMC2381
Formula: C8H10O
Ingredient ID: TCMC2381
| Common Name | Phenylethyl Alcohol |
| IUPAC Name | 2-phenylethanol |
| Canonical SMILES | OCCc1ccccc1 |
| Standard InCHI | InChI=1S/C8H10O/c9-7-6-8-4-2-1-3-5-8/h1-5,9H,6-7H2 |
| Standard InCHIKey | WRMNZCZEMHIOCP-UHFFFAOYSA-N |
| External Identifiers | ChEMBL [CHEMBL448500]; PubChem [6054]; |
| Reference of Component-Ingredient Pair | 22980851 |
Occurrence of the ingredient across TCM components
| Component ID | Latin Name | Pinyin Name | Chinese Name |
|---|---|---|---|
| TCMH1127 | Lonicera japonica | Jin Yin Hua | 金银花 |
| TCMH1128 | Lonicera japonica | Jin Yin Hua Ti Qu Ye | 金银花提取液 |
| TCMH114 | Platycladus orientalis | Bai Ye | 柏叶 |
| 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 |
| TCMH1343 | Aloe vera | Lu Hui | 芦荟 |
| TCMH1466 | Rosa rugosa | Mei Gui Hua | 玫瑰花 |
Showing 1 to 10 of 61 entries
Ingredient ID: TCMC2366
Formula: C15H24O
Ingredient ID: TCMC2366
| Common Name | n.a. |
| IUPAC Name | n.a. |
| Canonical SMILES | C=C1CC[C@@H]2O[C@@]2(CC[C@@H]2[C@@H]1CC2(C)C)C |
| Standard InCHI | InChI=1S/C15H24O/c1-10-5-6-13-15(4,16-13)8-7-12-11(10)9-14(12,2)3/h11-13H,1,5-9H2,2-4H3/t11-,12-,13+,15-/m1/s1 |
| Standard InCHIKey | NVEQFIOZRFFVFW-GUIRCDHDSA-N |
| External Identifiers | ChEMBL [CHEMBL399036]; PubChem [1742211]; |
| Reference of Component-Ingredient Pair | N/A |
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 |
| TCMH1063 | Curcuma longa | Jiang Huang | 姜黄 |
| TCMH108 | Perilla frutescens | Bai Su Zi | 白苏子 |
| TCMH1127 | Lonicera japonica | Jin Yin Hua | 金银花 |
| TCMH1128 | Lonicera japonica | Jin Yin Hua Ti Qu Ye | 金银花提取液 |
| TCMH114 | Platycladus orientalis | Bai Ye | 柏叶 |
| TCMH1141 | Schizonepeta tenuifolia | Jing Jie | 荆芥 |
| TCMH1165 | Murraya paniculata | Jiu Li Xiang | 九里香 |
Showing 1 to 10 of 71 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: TCMC2290
Formula: C25H24O12
Ingredient ID: TCMC2290
| Common Name | Cynarin |
| IUPAC Name | (1R,3R,4S,5R)-1,3-bis[[(E)-3-(3,4-dihydroxyphenyl)prop-2-enoyl]oxy]-4,5-dihydroxycyclohexane-1-carboxylic acid |
| Canonical SMILES | O=C(O[C@@H]1C[C@](OC(=O)/C=C/c2ccc(c(c2)O)O)(C[C@H]([C@@H]1O)O)C(=O)O)/C=C/c1ccc(c(c1)O)O |
| Standard InCHI | InChI=1S/C25H24O12/c26-15-5-1-13(9-17(15)28)3-7-21(31)36-20-12-25(24(34)35,11-19(30)23(20)33)37-22(32)8-4-14-2-6-16(27)18(29)10-14/h1-10,19-20,23,26-30,33H,11-12H2,(H,34,35)/b7-3+,8-4+/t19-,20-,23+,25-/m1/s1 |
| Standard InCHIKey | YDDUMTOHNYZQPO-RVXRWRFUSA-N |
| External Identifiers | ChEMBL [CHEMBL487258]; PubChem [5281769]; |
| Reference of Component-Ingredient Pair | N/A |
Occurrence of the ingredient across TCM components
| Component ID | Latin Name | Pinyin Name | Chinese Name |
|---|---|---|---|
| TCMH1000 | Foeniculum vulgare | Hui Xiang | 茴香 |
| TCMH1033 | Centella asiatica | Ji Xue Cao | 积雪草 |
| TCMH1096 | Inula japonica | Jin Fei Cao | 金沸草 |
| TCMH12 | Artemisia argyi | Ai Ye | 艾叶 |
| TCMH13 | Artemisia argyi | Ai Ye You | 艾叶油 |
| TCMH1562 | Arctium lappa | Niu Bang Zi | 牛蒡子 |
| TCMH204 | Xanthium sibiricum | Cang Er | 苍耳 |
| TCMH205 | Xanthium sibiricum | Cang Er Cao | 苍耳草 |
| TCMH2098 | Saussurea involucrata | Tian Shan Xue Lian Hua | 天山雪莲花 |
| TCMH2211 | Artemisia princeps | Wu Yue Ai | 五月艾 |
Showing 1 to 10 of 16 entries
Ingredient ID: TCMC2204
Formula: C9H6O3
Ingredient ID: TCMC2204
| Common Name | Umbelliferone |
| IUPAC Name | 7-hydroxychromen-2-one |
| Canonical SMILES | Oc1ccc2c(c1)oc(=O)cc2 |
| Standard InCHI | InChI=1S/C9H6O3/c10-7-3-1-6-2-4-9(11)12-8(6)5-7/h1-5,10H |
| Standard InCHIKey | ORHBXUUXSCNDEV-UHFFFAOYSA-N |
| External Identifiers | ChEMBL [CHEMBL51628]; PubChem [5281426]; |
| Reference of Component-Ingredient Pair | 24685503 |
Occurrence of the ingredient across TCM components
| Component ID | Latin Name | Pinyin Name | Chinese Name |
|---|---|---|---|
| TCMH1000 | Foeniculum vulgare | Hui Xiang | 茴香 |
| TCMH1139 | Radix euphorbiae pekinensis | Jing Da Ji | 京大戟 |
| TCMH1179 | Citri exocarpium rubrum | Ju Hong | 橘红 |
| TCMH1197 | Selaginella tamariscina | Juan Bai | 卷柏 |
| TCMH12 | Artemisia argyi | Ai Ye | 艾叶 |
| TCMH120 | Atractylodes macrocephala | Bai Zhu | 白术 |
| TCMH1214 | Picrasma quassioides | Ku Mu | 苦木 |
| TCMH1215 | Sophora flavescens | Ku Shen | 苦参 |
| TCMH1245 | Stellera chamaejasme | Lang Du | 狼毒 |
| TCMH13 | Artemisia argyi | Ai Ye You | 艾叶油 |
Showing 1 to 10 of 76 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: TCMC2164
Formula: C10H16O
Ingredient ID: TCMC2164
| Common Name | Thujone |
| IUPAC Name | (1S,4R,5R)-4-methyl-1-propan-2-ylbicyclo[3.1.0]hexan-3-one |
| Canonical SMILES | O=C1C[C@]2([C@@H]([C@H]1C)C2)C(C)C |
| Standard InCHI | InChI=1S/C10H16O/c1-6(2)10-4-8(10)7(3)9(11)5-10/h6-8H,4-5H2,1-3H3/t7-,8-,10+/m1/s1 |
| Standard InCHIKey | USMNOWBWPHYOEA-MRTMQBJTSA-N |
| External Identifiers | ChEMBL [CHEMBL1444078]; PubChem [261491]; |
| Reference of Component-Ingredient Pair | 23449869 |
Occurrence of the ingredient across TCM components
Ingredient ID: TCMC208
Formula: C10H16O
Ingredient ID: TCMC208
| Common Name | [(4R)-4-Prop-1-En-2-Ylcyclohexen-1-Yl]Methanol |
| IUPAC Name | [(4R)-4-prop-1-en-2-ylcyclohexen-1-yl]methanol |
| Canonical SMILES | OCC1=CC[C@@H](CC1)C(=C)C |
| Standard InCHI | InChI=1S/C10H16O/c1-8(2)10-5-3-9(7-11)4-6-10/h3,10-11H,1,4-7H2,2H3/t10-/m0/s1 |
| Standard InCHIKey | NDTYTMIUWGWIMO-JTQLQIEISA-N |
| External Identifiers | ChEMBL [CHEMBL1593539]; PubChem [11788398]; |
| Reference of Component-Ingredient Pair | 11413487 |
Occurrence of the ingredient across TCM components
| Component ID | Latin Name | Pinyin Name | Chinese Name |
|---|---|---|---|
| TCMH108 | Perilla frutescens | Bai Su Zi | 白苏子 |
| TCMH12 | Artemisia argyi | Ai Ye | 艾叶 |
| TCMH13 | Artemisia argyi | Ai Ye You | 艾叶油 |
| TCMH1846 | Artemisia capillaris | Shan Yin Chen | 山茵陈 |
| TCMH2039 | Caulis perillae frutescentis | Su Geng | 苏梗 |
| TCMH2129 | Eupolyphaga sinensis | Tu Bie Chong | 土鳖虫 |
| TCMH2154 | Artemisia capillaris | Tu Yin Chen Hao | 土茵陈蒿 |
| TCMH2213 | Ipomoea cairica | Wu Zhao Long | 五爪龙 |
| TCMH2494 | Artemisia capillaris | Yin Chen Hao | 茵陈蒿 |
| TCMH2495 | Artemisia capillaris | Yin Chen Hao Gan Jin Gao | 茵陈蒿干浸膏 |
Showing 1 to 10 of 10 entries
Ingredient ID: TCMC2052
Formula: C16H18O9
Ingredient ID: TCMC2052
| Common Name | Scopolin |
| IUPAC Name | 6-methoxy-7-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxychromen-2-one |
| Canonical SMILES | OC[C@H]1O[C@@H](Oc2cc3oc(=O)ccc3cc2OC)[C@@H]([C@H]([C@@H]1O)O)O |
| Standard InCHI | InChI=1S/C16H18O9/c1-22-9-4-7-2-3-12(18)23-8(7)5-10(9)24-16-15(21)14(20)13(19)11(6-17)25-16/h2-5,11,13-17,19-21H,6H2,1H3/t11-,13-,14+,15-,16-/m1/s1 |
| Standard InCHIKey | SGTCGCCQZOUMJJ-YMILTQATSA-N |
| External Identifiers | ChEMBL [CHEMBL225024]; PubChem [439514]; |
| Reference of Component-Ingredient Pair | 22870812 |
Occurrence of the ingredient across TCM components
| Component ID | Latin Name | Pinyin Name | Chinese Name |
|---|---|---|---|
| TCMH1185 | Lycium chinense | Gou Qi | 枸杞 |
| TCMH1186 | Lycium chinense | Gou Qi Zi | 枸杞子 |
| TCMH12 | Artemisia argyi | Ai Ye | 艾叶 |
| TCMH13 | Artemisia argyi | Ai Ye You | 艾叶油 |
| TCMH1846 | Artemisia capillaris | Shan Yin Chen | 山茵陈 |
| TCMH2154 | Artemisia capillaris | Tu Yin Chen Hao | 土茵陈蒿 |
| TCMH2211 | Artemisia princeps | Wu Yue Ai | 五月艾 |
| TCMH2494 | Artemisia capillaris | Yin Chen Hao | 茵陈蒿 |
| TCMH2495 | Artemisia capillaris | Yin Chen Hao Gan Jin Gao | 茵陈蒿干浸膏 |
| TCMH482 | Erycibe obtusifolia | Ding Gong Teng | 丁公藤 |
Showing 1 to 10 of 17 entries
Ingredient ID: TCMC2051
Formula: C10H8O4
Ingredient ID: TCMC2051
| Common Name | Scopoletin |
| IUPAC Name | 7-hydroxy-6-methoxychromen-2-one |
| Canonical SMILES | COc1cc2ccc(=O)oc2cc1O |
| Standard InCHI | InChI=1S/C10H8O4/c1-13-9-4-6-2-3-10(12)14-8(6)5-7(9)11/h2-5,11H,1H3 |
| Standard InCHIKey | RODXRVNMMDRFIK-UHFFFAOYSA-N |
| External Identifiers | ChEMBL [CHEMBL71851]; PubChem [5280460]; |
| Reference of Component-Ingredient Pair | 29559590 |
Occurrence of the ingredient across TCM components
| Component ID | Latin Name | Pinyin Name | Chinese Name |
|---|---|---|---|
| TCMH1162 | Sarcandra glabra | Jiu Jie Cha | 九节茶 |
| TCMH1165 | Murraya paniculata | Jiu Li Xiang | 九里香 |
| TCMH1185 | Lycium chinense | Gou Qi | 枸杞 |
| TCMH1186 | Lycium chinense | Gou Qi Zi | 枸杞子 |
| TCMH12 | Artemisia argyi | Ai Ye | 艾叶 |
| TCMH1215 | Sophora flavescens | Ku Shen | 苦参 |
| TCMH1277 | Alpinia officinarum | Liang Jiang | 良姜 |
| TCMH13 | Artemisia argyi | Ai Ye You | 艾叶油 |
| TCMH1322 | Solanum nigrum | Long Kui | 龙葵 |
| TCMH1367 | Apocynum venetum | Luo Bu Ma | 罗布麻 |
Showing 1 to 10 of 106 entries
Ingredient ID: TCMC2050
Formula: C11H10O4
Ingredient ID: TCMC2050
| Common Name | Scoparone |
| IUPAC Name | 6,7-dimethoxychromen-2-one |
| Canonical SMILES | COc1cc2oc(=O)ccc2cc1OC |
| Standard InCHI | InChI=1S/C11H10O4/c1-13-9-5-7-3-4-11(12)15-8(7)6-10(9)14-2/h3-6H,1-2H3 |
| Standard InCHIKey | GUAFOGOEJLSQBT-UHFFFAOYSA-N |
| External Identifiers | ChEMBL [CHEMBL325864]; PubChem [8417]; |
| Reference of Component-Ingredient Pair | 23017425 |
Occurrence of the ingredient across TCM components
| Component ID | Latin Name | Pinyin Name | Chinese Name |
|---|---|---|---|
| TCMH1162 | Sarcandra glabra | Jiu Jie Cha | 九节茶 |
| TCMH12 | Artemisia argyi | Ai Ye | 艾叶 |
| TCMH122 | Lobelia chinensis | Ban Bian Lian | 半边莲 |
| TCMH1272 | Forsythia suspensa | Lian Qiao | 连翘 |
| TCMH13 | Artemisia argyi | Ai Ye You | 艾叶油 |
| TCMH1417 | Pinus massoniana | Ma Wei Song Gen | 马尾松根 |
| TCMH1418 | Pinus massoniana | Ma Wei Song Shu Gen | 马尾松树根 |
| TCMH1460 | Zanthoxylum nitidum | Mao Liang Mian Zhen | 毛两面针 |
| TCMH1657 | Radix moghaniae philippinensis | Qian Jin Ba | 千斤拔 |
| TCMH1683 | Canarium album | Qing Guo | 青果 |
Showing 1 to 10 of 41 entries
Ingredient ID: TCMC1982
Formula: C15H10O7
Ingredient ID: TCMC1982
| Common Name | Quercetin |
| IUPAC Name | 2-(3,4-dihydroxyphenyl)-3,5,7-trihydroxychromen-4-one |
| Canonical SMILES | Oc1cc(O)c2c(c1)oc(c(c2=O)O)c1ccc(c(c1)O)O |
| Standard InCHI | InChI=1S/C15H10O7/c16-7-4-10(19)12-11(5-7)22-15(14(21)13(12)20)6-1-2-8(17)9(18)3-6/h1-5,16-19,21H |
| Standard InCHIKey | REFJWTPEDVJJIY-UHFFFAOYSA-N |
| External Identifiers | ChEMBL [CHEMBL50]; PubChem [5280343]; |
| Reference of Component-Ingredient Pair | 26766292 |
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 |
| TCMH1032 | Impatiens balsamina | Ji Xing Zi | 急性子 |
| TCMH1033 | Centella asiatica | Ji Xue Cao | 积雪草 |
| TCMH1090 | Brassica juncea | Jie Zi | 芥子 |
| TCMH1096 | Inula japonica | Jin Fei Cao | 金沸草 |
| TCMH1099 | Gymnema sylvestre | Jin Gang Teng | 金刚藤 |
| TCMH1100 | Gymnema sylvestre | Jin Gang Tou | 金刚头 |
| TCMH1105 | Trollius chinensis | Jin Lian Hua | 金莲花 |
| TCMH1117 | Rhizoma fagopyri cymosi | Jin Qiao Mai | 金荞麦 |
Showing 1 to 10 of 278 entries
Ingredient ID: TCMC1969
Formula: C8H10
Ingredient ID: TCMC1969
| Common Name | P-Xylene |
| IUPAC Name | 1,4-xylene |
| Canonical SMILES | Cc1ccc(cc1)C |
| Standard InCHI | InChI=1S/C8H10/c1-7-3-5-8(2)6-4-7/h3-6H,1-2H3 |
| Standard InCHIKey | URLKBWYHVLBVBO-UHFFFAOYSA-N |
| External Identifiers | ChEMBL [CHEMBL31561]; PubChem [7809]; |
| Reference of Component-Ingredient Pair | N/A |
Occurrence of the ingredient across TCM components
| Component ID | Latin Name | Pinyin Name | Chinese Name |
|---|---|---|---|
| TCMH1178 | Citrus reticulata | Ju He | 橘核 |
| TCMH1184 | Citrus reticulata | Ju Pi | 橘皮 |
| TCMH12 | Artemisia argyi | Ai Ye | 艾叶 |
| TCMH1215 | Sophora flavescens | Ku Shen | 苦参 |
| TCMH13 | Artemisia argyi | Ai Ye You | 艾叶油 |
| TCMH1398 | Ephedra sinica | Ma Huang | 麻黄 |
| TCMH1399 | Ephedra sinica | Ma Huang Gao | 麻黄膏 |
| TCMH1400 | Ephedra sinica | Ma Huang Gen | 麻黄根 |
| TCMH1401 | Ephedra sinica | Ma Huang Jin Gao | 麻黄浸膏 |
| TCMH1486 | Ephedra sinica | Mi Ma Huang | 蜜麻黄 |
Showing 1 to 10 of 31 entries
Ingredient ID: TCMC1898
Formula: C15H12O4
Ingredient ID: TCMC1898
| Common Name | Pinocembrin |
| IUPAC Name | (2S)-5,7-dihydroxy-2-phenyl-2,3-dihydrochromen-4-one |
| Canonical SMILES | Oc1cc2O[C@@H](CC(=O)c2c(c1)O)c1ccccc1 |
| Standard InCHI | InChI=1S/C15H12O4/c16-10-6-11(17)15-12(18)8-13(19-14(15)7-10)9-4-2-1-3-5-9/h1-7,13,16-17H,8H2/t13-/m0/s1 |
| Standard InCHIKey | URFCJEUYXNAHFI-ZDUSSCGKSA-N |
| External Identifiers | ChEMBL [CHEMBL399910]; PubChem [68071]; |
| Reference of Component-Ingredient Pair | 16133333 |
Occurrence of the ingredient across TCM components
| Component ID | Latin Name | Pinyin Name | Chinese Name |
|---|---|---|---|
| TCMH1045 | Piper sarmentosum | Jia Ju | 假蒟 |
| TCMH1051 | Piper sarmentosum | Jia 蒟ye | 假蒟叶 |
| TCMH109 | Pulsatilla chinensis | Bai Tou Weng | 白头翁 |
| TCMH12 | Artemisia argyi | Ai Ye | 艾叶 |
| TCMH128 | Castanea mollissima | Ban Li Ke | 板栗壳 |
| TCMH13 | Artemisia argyi | Ai Ye You | 艾叶油 |
| TCMH1437 | Rhododendron dauricum | Man Shan Hong | 满山红 |
| TCMH1462 | Moschus moschiferus | Mao She Xiang | 毛麝香 |
| TCMH1463 | Moschus moschiferus | Mao She Xiang Jin Gao | 毛麝香浸膏 |
| TCMH1475 | Glycyrrhiza uralensis | Mi Gan Cao | 蜜甘草 |
Showing 1 to 10 of 40 entries
Ingredient ID: TCMC1860
Formula: C10H14O
Ingredient ID: TCMC1860
| Common Name | Perillaldehyde |
| IUPAC Name | 4-prop-1-en-2-ylcyclohexene-1-carbaldehyde |
| Canonical SMILES | O=CC1=CCC(CC1)C(=C)C |
| Standard InCHI | InChI=1S/C10H14O/c1-8(2)10-5-3-9(7-11)4-6-10/h3,7,10H,1,4-6H2,2H3 |
| Standard InCHIKey | RUMOYJJNUMEFDD-UHFFFAOYSA-N |
| External Identifiers | ChEMBL [CHEMBL469537]; PubChem [16441]; |
| Reference of Component-Ingredient Pair | 22489157 |
Occurrence of the ingredient across TCM components
| Component ID | Latin Name | Pinyin Name | Chinese Name |
|---|---|---|---|
| TCMH108 | Perilla frutescens | Bai Su Zi | 白苏子 |
| TCMH1165 | Murraya paniculata | Jiu Li Xiang | 九里香 |
| 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 |
| TCMH1611 | Rhizoma curcumae | Peng E Zhu | 蓬莪术 |
| TCMH1695 | Pericarpium citri reticulatae viride | Qing Pi | 青皮 |
| TCMH1734 | Homo sapiens | Ren Zhong Bai | 人中白 |
| TCMH2047 | Fructus perillae | Su Zi | 苏子 |
Showing 1 to 10 of 30 entries
Ingredient ID: TCMC1817
Formula: C8H10
Ingredient ID: TCMC1817
| Common Name | O-Xylene |
| IUPAC Name | 1,2-xylene |
| Canonical SMILES | Cc1ccccc1C |
| Standard InCHI | InChI=1S/C8H10/c1-7-5-3-4-6-8(7)2/h3-6H,1-2H3 |
| Standard InCHIKey | CTQNGGLPUBDAKN-UHFFFAOYSA-N |
| External Identifiers | ChEMBL [CHEMBL45005]; PubChem [7237]; |
| 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 |
| TCMH1518 | Chaenomeles sinensis | Mu Gua | 木瓜 |
| 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 |
| TCMH1839 | Panax ginseng | Shan Shen | 山参 |
| TCMH2211 | Artemisia princeps | Wu Yue Ai | 五月艾 |
| TCMH2551 | Polygonatum odoratum | Yu Zhu | 玉竹 |
| TCMH2710 | Homo sapiens | Zi He Che | 紫河车 |
Showing 1 to 10 of 10 entries
Ingredient ID: TCMC1775
Formula: C8H16
Ingredient ID: TCMC1775
| Common Name | Oct-1-Ene |
| IUPAC Name | oct-1-ene |
| Canonical SMILES | CCCCCCC=C |
| Standard InCHI | InChI=1S/C8H16/c1-3-5-7-8-6-4-2/h3H,1,4-8H2,2H3 |
| Standard InCHIKey | KWKAKUADMBZCLK-UHFFFAOYSA-N |
| External Identifiers | ChEMBL [CHEMBL1376677]; PubChem [8125]; |
| Reference of Component-Ingredient Pair | 22988832 |
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 |
| 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 |
| TCMH1894 | Pinellia ternata | Sheng Ban Xia | 生半夏 |
| TCMH2211 | Artemisia princeps | Wu Yue Ai | 五月艾 |
| TCMH66 | Cleome gynandra | Bai Hua Cai Zi | 白花菜子 |
Showing 1 to 8 of 8 entries
Ingredient ID: TCMC1739
Formula: C12H20O2
Ingredient ID: TCMC1739
| Common Name | Neryl Acetate |
| IUPAC Name | [(2Z)-3,7-dimethylocta-2,6-dienyl] acetate |
| Canonical SMILES | C/C(=C/COC(=O)C)/CCC=C(C)C |
| Standard InCHI | InChI=1S/C12H20O2/c1-10(2)6-5-7-11(3)8-9-14-12(4)13/h6,8H,5,7,9H2,1-4H3/b11-8- |
| Standard InCHIKey | HIGQPQRQIQDZMP-FLIBITNWSA-N |
| External Identifiers | ChEMBL [CHEMBL2268549]; PubChem [1549025]; |
| Reference of Component-Ingredient Pair | 25698327 |
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 |
| 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 |
| TCMH1609 | Eupatorium fortunei | Pei Lan | 佩兰 |
| TCMH1753 | Boswellia carterii | Ru Xiang | 乳香 |
| TCMH1846 | Artemisia capillaris | Shan Yin Chen | 山茵陈 |
| TCMH1903 | Zingiber officinale | Sheng Jiang | 生姜 |
Showing 1 to 10 of 32 entries
Ingredient ID: TCMC1738
Formula: C15H26O
Ingredient ID: TCMC1738
| Common Name | Nerolidol |
| IUPAC Name | (6E)-3,7,11-trimethyldodeca-1,6,10-trien-3-ol |
| Canonical SMILES | C=CC(CC/C=C(/CCC=C(C)C)C)(O)C |
| Standard InCHI | InChI=1S/C15H26O/c1-6-15(5,16)12-8-11-14(4)10-7-9-13(2)3/h6,9,11,16H,1,7-8,10,12H2,2-5H3/b14-11+ |
| Standard InCHIKey | FQTLCLSUCSAZDY-SDNWHVSQSA-N |
| External Identifiers | ChEMBL [CHEMBL25424]; PubChem [5284507]; |
| Reference of Component-Ingredient Pair | 27549180 |
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 |
| TCMH1069 | Oleum dalbergiae odoriferae | Jiang Xiang You | 降香油 |
| TCMH108 | Perilla frutescens | Bai Su Zi | 白苏子 |
| TCMH1127 | Lonicera japonica | Jin Yin Hua | 金银花 |
| TCMH1128 | Lonicera japonica | Jin Yin Hua Ti Qu Ye | 金银花提取液 |
| TCMH12 | Artemisia argyi | Ai Ye | 艾叶 |
| TCMH122 | Lobelia chinensis | Ban Bian Lian | 半边莲 |
| TCMH1272 | Forsythia suspensa | Lian Qiao | 连翘 |
| TCMH13 | Artemisia argyi | Ai Ye You | 艾叶油 |
Showing 1 to 10 of 60 entries
Ingredient ID: TCMC1737
Formula: C10H18O
Ingredient ID: TCMC1737
| Common Name | Nerol |
| IUPAC Name | (2Z)-3,7-dimethylocta-2,6-dien-1-ol |
| Canonical SMILES | OC/C=C(CCC=C(C)C)/C |
| Standard InCHI | InChI=1S/C10H18O/c1-9(2)5-4-6-10(3)7-8-11/h5,7,11H,4,6,8H2,1-3H3/b10-7- |
| Standard InCHIKey | GLZPCOQZEFWAFX-YFHOEESVSA-N |
| External Identifiers | ChEMBL [CHEMBL452683]; PubChem [643820]; |
| Reference of Component-Ingredient Pair | 11731906 |
Occurrence of the ingredient across TCM components
| Component ID | Latin Name | Pinyin Name | Chinese Name |
|---|---|---|---|
| TCMH1063 | Curcuma longa | Jiang Huang | 姜黄 |
| TCMH1127 | Lonicera japonica | Jin Yin Hua | 金银花 |
| TCMH1128 | Lonicera japonica | Jin Yin Hua Ti Qu Ye | 金银花提取液 |
| TCMH1165 | Murraya paniculata | Jiu Li Xiang | 九里香 |
| TCMH1178 | Citrus reticulata | Ju He | 橘核 |
| TCMH1184 | Citrus reticulata | Ju Pi | 橘皮 |
| TCMH12 | Artemisia argyi | Ai Ye | 艾叶 |
| TCMH1215 | Sophora flavescens | Ku Shen | 苦参 |
| TCMH1247 | Geranium wilfordii | Lao Guan Cao | 老鹳草 |
| TCMH1275 | Nelumbo nucifera | Lian Zi | 莲子 |
Showing 1 to 10 of 85 entries
Ingredient ID: TCMC1712
Formula: C15H24O
Ingredient ID: TCMC1712
| Common Name | n.a. |
| IUPAC Name | n.a. |
| Canonical SMILES | C=C1CC[C@@H]2O[C@@]2(CC[C@@H]2[C@H]1CC2(C)C)C |
| Standard InCHI | InChI=1S/C15H24O/c1-10-5-6-13-15(4,16-13)8-7-12-11(10)9-14(12,2)3/h11-13H,1,5-9H2,2-4H3/t11-,12+,13-,15+/m0/s1 |
| Standard InCHIKey | NVEQFIOZRFFVFW-SFDCQRBFSA-N |
| External Identifiers | ChEMBL [CHEMBL1513806]; PubChem [6604672]; |
| Reference of Component-Ingredient Pair | N/A |
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 |
| TCMH1063 | Curcuma longa | Jiang Huang | 姜黄 |
| TCMH108 | Perilla frutescens | Bai Su Zi | 白苏子 |
| TCMH1127 | Lonicera japonica | Jin Yin Hua | 金银花 |
| TCMH1128 | Lonicera japonica | Jin Yin Hua Ti Qu Ye | 金银花提取液 |
| TCMH1141 | Schizonepeta tenuifolia | Jing Jie | 荆芥 |
| TCMH1165 | Murraya paniculata | Jiu Li Xiang | 九里香 |
| TCMH1178 | Citrus reticulata | Ju He | 橘核 |
Showing 1 to 10 of 74 entries
Ingredient ID: TCMC170
Formula: C10H14O
Ingredient ID: TCMC170
| Common Name | (S)(+)Carvone |
| IUPAC Name | (5S)-2-methyl-5-prop-1-en-2-ylcyclohex-2-en-1-one |
| Canonical SMILES | CC(=C)[C@H]1CC=C(C(=O)C1)C |
| Standard InCHI | InChI=1S/C10H14O/c1-7(2)9-5-4-8(3)10(11)6-9/h4,9H,1,5-6H2,2-3H3/t9-/m0/s1 |
| Standard InCHIKey | ULDHMXUKGWMISQ-VIFPVBQESA-N |
| External Identifiers | ChEMBL [CHEMBL501949]; PubChem [16724]; |
| Reference of Component-Ingredient Pair | 22606841 |
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 |
| TCMH1142 | Schizonepetae spica | Jing Jie Sui | 荆芥穗 |
| TCMH1144 | Schizonepetae herba | Jing Jie Tan | 荆芥炭 |
| TCMH1178 | Citrus reticulata | Ju He | 橘核 |
| TCMH1184 | Citrus reticulata | Ju Pi | 橘皮 |
| TCMH12 | Artemisia argyi | Ai Ye | 艾叶 |
| TCMH120 | Atractylodes macrocephala | Bai Zhu | 白术 |
| TCMH13 | Artemisia argyi | Ai Ye You | 艾叶油 |
Showing 1 to 10 of 51 entries
Ingredient ID: TCMC165
Formula: C13H18O2
Ingredient ID: TCMC165
| Common Name | (R)-Ibuprophen |
| IUPAC Name | (2R)-2-[4-(2-methylpropyl)phenyl]propanoic acid |
| Canonical SMILES | CC(Cc1ccc(cc1)[C@H](C(=O)O)C)C |
| Standard InCHI | InChI=1S/C13H18O2/c1-9(2)8-11-4-6-12(7-5-11)10(3)13(14)15/h4-7,9-10H,8H2,1-3H3,(H,14,15)/t10-/m1/s1 |
| Standard InCHIKey | HEFNNWSXXWATRW-SNVBAGLBSA-N |
| External Identifiers | ChEMBL [CHEMBL427526]; PubChem [114864]; |
| Reference of Component-Ingredient Pair | N/A |
Occurrence of the ingredient across TCM components
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: TCMC1608
Formula: C10H16
Ingredient ID: TCMC1608
| Common Name | Myrcene |
| IUPAC Name | 7-methyl-3-methylideneocta-1,6-diene |
| Canonical SMILES | C=CC(=C)CCC=C(C)C |
| Standard InCHI | InChI=1S/C10H16/c1-5-10(4)8-6-7-9(2)3/h5,7H,1,4,6,8H2,2-3H3 |
| Standard InCHIKey | UAHWPYUMFXYFJY-UHFFFAOYSA-N |
| External Identifiers | ChEMBL [CHEMBL455491]; PubChem [31253]; |
| Reference of Component-Ingredient Pair | 22835693 |
Occurrence of the ingredient across TCM components
| Component ID | Latin Name | Pinyin Name | Chinese Name |
|---|---|---|---|
| TCMH1000 | Foeniculum vulgare | Hui Xiang | 茴香 |
| TCMH1033 | Centella asiatica | Ji Xue Cao | 积雪草 |
| TCMH1063 | Curcuma longa | Jiang Huang | 姜黄 |
| TCMH1064 | Coptis chinensis | Jiang Huang Lian | 姜黄连 |
| TCMH108 | Perilla frutescens | Bai Su Zi | 白苏子 |
| TCMH1114 | Herba glechomae longitubae | Jin Qian Cao | 金钱草 |
| TCMH1126 | Craibiodendron yunnanese | Jin Ye Zi | 金叶子 |
| TCMH114 | Platycladus orientalis | Bai Ye | 柏叶 |
| TCMH1141 | Schizonepeta tenuifolia | Jing Jie | 荆芥 |
| TCMH1142 | Schizonepetae spica | Jing Jie Sui | 荆芥穗 |
Showing 1 to 10 of 151 entries
Ingredient ID: TCMC1607
Formula: C8H10
Ingredient ID: TCMC1607
| Common Name | M-Xylene |
| IUPAC Name | 1,3-xylene |
| Canonical SMILES | Cc1cccc(c1)C |
| Standard InCHI | InChI=1S/C8H10/c1-7-4-3-5-8(2)6-7/h3-6H,1-2H3 |
| Standard InCHIKey | IVSZLXZYQVIEFR-UHFFFAOYSA-N |
| External Identifiers | ChEMBL [CHEMBL286727]; PubChem [7929]; |
| Reference of Component-Ingredient Pair | 23084275 |
Occurrence of the ingredient across TCM components
| Component ID | Latin Name | Pinyin Name | Chinese Name |
|---|---|---|---|
| TCMH12 | Artemisia argyi | Ai Ye | 艾叶 |
| TCMH1215 | Sophora flavescens | Ku Shen | 苦参 |
| TCMH13 | Artemisia argyi | Ai Ye You | 艾叶油 |
| TCMH1398 | Ephedra sinica | Ma Huang | 麻黄 |
| TCMH1399 | Ephedra sinica | Ma Huang Gao | 麻黄膏 |
| TCMH1400 | Ephedra sinica | Ma Huang Gen | 麻黄根 |
| TCMH1401 | Ephedra sinica | Ma Huang Jin Gao | 麻黄浸膏 |
| TCMH1486 | Ephedra sinica | Mi Ma Huang | 蜜麻黄 |
| TCMH1721 | Panax ginseng | Ren Shen | 人参 |
| TCMH1728 | Panax ginseng | Ren Shen Ye | 人参叶 |
Showing 1 to 10 of 26 entries
Ingredient ID: TCMC1578
Formula: C11H14O2
Ingredient ID: TCMC1578
| Common Name | Methyleugenol |
| IUPAC Name | 1,2-dimethoxy-4-prop-2-enylbenzene |
| Canonical SMILES | C=CCc1ccc(c(c1)OC)OC |
| Standard InCHI | InChI=1S/C11H14O2/c1-4-5-9-6-7-10(12-2)11(8-9)13-3/h4,6-8H,1,5H2,2-3H3 |
| Standard InCHIKey | ZYEMGPIYFIJGTP-UHFFFAOYSA-N |
| External Identifiers | ChEMBL [CHEMBL108861]; PubChem [7127]; |
| Reference of Component-Ingredient Pair | 28326452 |
Occurrence of the ingredient across TCM components
| Component ID | Latin Name | Pinyin Name | Chinese Name |
|---|---|---|---|
| TCMH1158 | Ocimum basilicum | Jiu Ceng Ta | 九层塔 |
| TCMH1175 | Cornus officinalis | Jiu Yu Rou | 酒萸肉 |
| TCMH12 | Artemisia argyi | Ai Ye | 艾叶 |
| TCMH1215 | Sophora flavescens | Ku Shen | 苦参 |
| TCMH1290 | Ocimum basilicum | Ling Ling Xiang | 零陵香 |
| TCMH1292 | Radix smilacis | Ling Xian | 灵仙 |
| 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 |
| TCMH132 | Scutellaria barbata | Ban Zhi Lian | 半枝莲 |
Showing 1 to 10 of 66 entries
Ingredient ID: TCMC1569
Formula: C8H8O3
Ingredient ID: TCMC1569
| Common Name | Methyl Salicylate |
| IUPAC Name | methyl 2-hydroxybenzoate |
| Canonical SMILES | COC(=O)c1ccccc1O |
| Standard InCHI | InChI=1S/C8H8O3/c1-11-8(10)6-4-2-3-5-7(6)9/h2-5,9H,1H3 |
| Standard InCHIKey | OSWPMRLSEDHDFF-UHFFFAOYSA-N |
| External Identifiers | ChEMBL [CHEMBL108545]; PubChem [4133]; |
| Reference of Component-Ingredient Pair | 26795242 |
Occurrence of the ingredient across TCM components
| Component ID | Latin Name | Pinyin Name | Chinese Name |
|---|---|---|---|
| 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 |
| 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 |
| TCMH1531 | Akebia quinata | Mu Tong | 木通 |
| TCMH1677 | Pinellia ternata | Qing Ban Xia | 清半夏 |
| TCMH1714 | Lonicera japonica | Ren Dong Teng | 忍冬藤 |
Showing 1 to 10 of 25 entries
Ingredient ID: TCMC1556
Formula: C9H10O3
Ingredient ID: TCMC1556
| Common Name | Methyl 4-Methoxybenzoate |
| IUPAC Name | methyl 4-methoxybenzoate |
| Canonical SMILES | COc1ccc(cc1)C(=O)OC |
| Standard InCHI | InChI=1S/C9H10O3/c1-11-8-5-3-7(4-6-8)9(10)12-2/h3-6H,1-2H3 |
| Standard InCHIKey | DDIZAANNODHTRB-UHFFFAOYSA-N |
| External Identifiers | ChEMBL [CHEMBL1762668]; PubChem [8499]; |
| 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 |
| TCMH213 | Boschniakia rossica | Cao Cong Rong | 草苁蓉 |
| TCMH2211 | Artemisia princeps | Wu Yue Ai | 五月艾 |
| TCMH2513 | Rhododendron mucronulatum | Ying Shan Hong | 映山红 |
| TCMH270 | Clerodendrum trichotomum | Chou Wu Tong | 臭梧桐 |
| TCMH271 | Clerodendrum trichotomum | Chou Wu Tong Ye | 臭梧桐叶 |
| TCMH600 | Euonymus fortunei | Fu Fang Teng | 扶芳藤 |
Showing 1 to 8 of 8 entries
Ingredient ID: TCMC1544
Formula: C10H20O
Ingredient ID: TCMC1544
| Common Name | Menthol |
| IUPAC Name | 5-methyl-2-propan-2-ylcyclohexan-1-ol |
| Canonical SMILES | CC1CCC(C(C1)O)C(C)C |
| Standard InCHI | InChI=1S/C10H20O/c1-7(2)9-5-4-8(3)6-10(9)11/h7-11H,4-6H2,1-3H3 |
| Standard InCHIKey | NOOLISFMXDJSKH-UHFFFAOYSA-N |
| External Identifiers | ChEMBL [CHEMBL256087]; PubChem [1254]; |
| Reference of Component-Ingredient Pair | 22953891 |
Occurrence of the ingredient across TCM components
| Component ID | Latin Name | Pinyin Name | Chinese Name |
|---|---|---|---|
| TCMH108 | Perilla frutescens | Bai Su Zi | 白苏子 |
| TCMH1141 | Schizonepeta tenuifolia | Jing Jie | 荆芥 |
| 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 |
| TCMH132 | Scutellaria barbata | Ban Zhi Lian | 半枝莲 |
| TCMH1531 | Akebia quinata | Mu Tong | 木通 |
| TCMH1677 | Pinellia ternata | Qing Ban Xia | 清半夏 |
| TCMH1734 | Homo sapiens | Ren Zhong Bai | 人中白 |
Showing 1 to 10 of 18 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: TCMC1493
Formula: C10H18O
Ingredient ID: TCMC1493
| Common Name | Linalool (+) |
| IUPAC Name | (3R)-3,7-dimethylocta-1,6-dien-3-ol |
| Canonical SMILES | C=C[C@@](CCC=C(C)C)(O)C |
| Standard InCHI | InChI=1S/C10H18O/c1-5-10(4,11)8-6-7-9(2)3/h5,7,11H,1,6,8H2,2-4H3/t10-/m0/s1 |
| Standard InCHIKey | CDOSHBSSFJOMGT-JTQLQIEISA-N |
| External Identifiers | ChEMBL [CHEMBL235672]; PubChem [443158]; |
| Reference of Component-Ingredient Pair | 22394400 |
Occurrence of the ingredient across TCM components
| Component ID | Latin Name | Pinyin Name | Chinese Name |
|---|---|---|---|
| TCMH1000 | Foeniculum vulgare | Hui Xiang | 茴香 |
| 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 |
| TCMH1117 | Rhizoma fagopyri cymosi | Jin Qiao Mai | 金荞麦 |
| 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 |
| TCMH1144 | Schizonepetae herba | Jing Jie Tan | 荆芥炭 |
Showing 1 to 10 of 154 entries
Ingredient ID: TCMC1492
Formula: C10H18O
Ingredient ID: TCMC1492
| Common Name | Linalool |
| IUPAC Name | 3,7-dimethylocta-1,6-dien-3-ol |
| Canonical SMILES | C=CC(CCC=C(C)C)(O)C |
| Standard InCHI | InChI=1S/C10H18O/c1-5-10(4,11)8-6-7-9(2)3/h5,7,11H,1,6,8H2,2-4H3 |
| Standard InCHIKey | CDOSHBSSFJOMGT-UHFFFAOYSA-N |
| External Identifiers | ChEMBL [CHEMBL25306]; PubChem [6549]; |
| Reference of Component-Ingredient Pair | 29029310 |
Occurrence of the ingredient across TCM components
| Component ID | Latin Name | Pinyin Name | Chinese Name |
|---|---|---|---|
| TCMH1000 | Foeniculum vulgare | Hui Xiang | 茴香 |
| TCMH1029 | Paederia scandens | Ji Shi Teng | 鸡矢藤 |
| TCMH1063 | Curcuma longa | Jiang Huang | 姜黄 |
| TCMH108 | Perilla frutescens | Bai Su Zi | 白苏子 |
| TCMH1127 | Lonicera japonica | Jin Yin Hua | 金银花 |
| TCMH1128 | Lonicera japonica | Jin Yin Hua Ti Qu Ye | 金银花提取液 |
| TCMH1165 | Murraya paniculata | Jiu Li Xiang | 九里香 |
| TCMH1178 | Citrus reticulata | Ju He | 橘核 |
| TCMH1184 | Citrus reticulata | Ju Pi | 橘皮 |
| TCMH12 | Artemisia argyi | Ai Ye | 艾叶 |
Showing 1 to 10 of 103 entries
Ingredient ID: TCMC1476
Formula: C10H20O
Ingredient ID: TCMC1476
| Common Name | Levomenthol |
| IUPAC Name | (1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexan-1-ol |
| Canonical SMILES | C[C@@H]1CC[C@H]([C@@H](C1)O)C(C)C |
| Standard InCHI | InChI=1S/C10H20O/c1-7(2)9-5-4-8(3)6-10(9)11/h7-11H,4-6H2,1-3H3/t8-,9+,10-/m1/s1 |
| Standard InCHIKey | NOOLISFMXDJSKH-KXUCPTDWSA-N |
| External Identifiers | ChEMBL [CHEMBL470670]; PubChem [16666]; |
| Reference of Component-Ingredient Pair | 23449869 |
Occurrence of the ingredient across TCM components
| Component ID | Latin Name | Pinyin Name | Chinese Name |
|---|---|---|---|
| TCMH1029 | Paederia scandens | Ji Shi Teng | 鸡矢藤 |
| TCMH1033 | Centella asiatica | Ji Xue Cao | 积雪草 |
| TCMH108 | Perilla frutescens | Bai Su Zi | 白苏子 |
| TCMH1141 | Schizonepeta tenuifolia | Jing Jie | 荆芥 |
| TCMH12 | Artemisia argyi | Ai Ye | 艾叶 |
| TCMH120 | Atractylodes macrocephala | Bai Zhu | 白术 |
| 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 |
| TCMH132 | Scutellaria barbata | Ban Zhi Lian | 半枝莲 |
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: TCMC1409
Formula: C21H20O12
Ingredient ID: TCMC1409
| Common Name | Isoquercetin |
| IUPAC Name | 2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-3-[(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](Oc2c(oc3c(c2=O)c(O)cc(c3)O)c2ccc(c(c2)O)O)[C@@H]([C@H]([C@@H]1O)O)O |
| Standard InCHI | InChI=1S/C21H20O12/c22-6-13-15(27)17(29)18(30)21(32-13)33-20-16(28)14-11(26)4-8(23)5-12(14)31-19(20)7-1-2-9(24)10(25)3-7/h1-5,13,15,17-18,21-27,29-30H,6H2/t13-,15-,17+,18-,21+/m1/s1 |
| Standard InCHIKey | OVSQVDMCBVZWGM-QSOFNFLRSA-N |
| External Identifiers | ChEMBL [CHEMBL250450]; PubChem [5280804]; |
| Reference of Component-Ingredient Pair | 22667148 |
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 |
| TCMH1032 | Impatiens balsamina | Ji Xing Zi | 急性子 |
| TCMH1033 | Centella asiatica | Ji Xue Cao | 积雪草 |
| TCMH1127 | Lonicera japonica | Jin Yin Hua | 金银花 |
| TCMH1128 | Lonicera japonica | Jin Yin Hua Ti Qu Ye | 金银花提取液 |
| TCMH1144 | Schizonepetae herba | Jing Jie Tan | 荆芥炭 |
| TCMH1175 | Cornus officinalis | Jiu Yu Rou | 酒萸肉 |
| TCMH1198 | Rostellularia procumbens | Jue Chuang | 爵床 |
| TCMH12 | Artemisia argyi | Ai Ye | 艾叶 |
Showing 1 to 10 of 161 entries
Ingredient ID: TCMC1374
Formula: C6H12O6
Ingredient ID: TCMC1374
| Common Name | Inositol |
| IUPAC Name | n.a. |
| Canonical SMILES | O[C@@H]1[C@H](O)[C@H](O)[C@H]([C@@H]([C@H]1O)O)O |
| Standard InCHI | InChI=1S/C6H12O6/c7-1-2(8)4(10)6(12)5(11)3(1)9/h1-12H/t1-,2-,3-,4+,5-,6- |
| Standard InCHIKey | CDAISMWEOUEBRE-GPIVLXJGSA-N |
| External Identifiers | ChEMBL [CHEMBL1222251]; PubChem [N/A]; |
| Reference of Component-Ingredient Pair | N/A |
Occurrence of the ingredient across TCM components
| Component ID | Latin Name | Pinyin Name | Chinese Name |
|---|---|---|---|
| TCMH1033 | Centella asiatica | Ji Xue Cao | 积雪草 |
| 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 |
| TCMH12 | Artemisia argyi | Ai Ye | 艾叶 |
| TCMH1275 | Nelumbo nucifera | Lian Zi | 莲子 |
| TCMH1276 | Nelumbo nucifera | Lian Zi Xin | 莲子心 |
| TCMH13 | Artemisia argyi | Ai Ye You | 艾叶油 |
| TCMH1394 | Capparis masaikai | Ma Bing Lang | 马槟榔 |
| TCMH1484 | Apis cerana | Mi La | 蜜蜡 |
Showing 1 to 10 of 47 entries
Ingredient ID: TCMC1359
Formula: C13H18O2
Ingredient ID: TCMC1359
| Common Name | Ibuprofen |
| IUPAC Name | 2-[4-(2-methylpropyl)phenyl]propanoic acid |
| Canonical SMILES | CC(Cc1ccc(cc1)C(C(=O)O)C)C |
| Standard InCHI | InChI=1S/C13H18O2/c1-9(2)8-11-4-6-12(7-5-11)10(3)13(14)15/h4-7,9-10H,8H2,1-3H3,(H,14,15) |
| Standard InCHIKey | HEFNNWSXXWATRW-UHFFFAOYSA-N |
| External Identifiers | ChEMBL [CHEMBL521]; PubChem [3672]; |
| Reference of Component-Ingredient Pair | N/A |
Occurrence of the ingredient across TCM components
Ingredient ID: TCMC1356
Formula: C21H20O12
Ingredient ID: TCMC1356
| Common Name | Hyperoside |
| IUPAC Name | 2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-3-[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxychromen-4-one |
| Canonical SMILES | OC[C@H]1O[C@@H](Oc2c(oc3c(c2=O)c(O)cc(c3)O)c2ccc(c(c2)O)O)[C@@H]([C@H]([C@H]1O)O)O |
| Standard InCHI | InChI=1S/C21H20O12/c22-6-13-15(27)17(29)18(30)21(32-13)33-20-16(28)14-11(26)4-8(23)5-12(14)31-19(20)7-1-2-9(24)10(25)3-7/h1-5,13,15,17-18,21-27,29-30H,6H2/t13-,15+,17+,18-,21+/m1/s1 |
| Standard InCHIKey | OVSQVDMCBVZWGM-DTGCRPNFSA-N |
| External Identifiers | ChEMBL [CHEMBL251254]; PubChem [5281643]; |
| Reference of Component-Ingredient Pair | 27019979 |
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 |
| TCMH1099 | Gymnema sylvestre | Jin Gang Teng | 金刚藤 |
| TCMH1100 | Gymnema sylvestre | Jin Gang Tou | 金刚头 |
| 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 |
| TCMH1223 | Tussilago farfara | Kuan Dong Hua | 款冬花 |
Showing 1 to 10 of 102 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: TCMC1315
Formula: C7H14O
Ingredient ID: TCMC1315
| Common Name | Heptanal |
| IUPAC Name | heptanal |
| Canonical SMILES | CCCCCCC=O |
| Standard InCHI | InChI=1S/C7H14O/c1-2-3-4-5-6-7-8/h7H,2-6H2,1H3 |
| Standard InCHIKey | FXHGMKSSBGDXIY-UHFFFAOYSA-N |
| External Identifiers | ChEMBL [CHEMBL18104]; PubChem [8130]; |
| Reference of Component-Ingredient Pair | N/A |
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 |
| TCMH1185 | Lycium chinense | Gou Qi | 枸杞 |
| TCMH1186 | Lycium chinense | Gou Qi Zi | 枸杞子 |
| TCMH12 | Artemisia argyi | Ai Ye | 艾叶 |
| TCMH122 | Lobelia chinensis | Ban Bian Lian | 半边莲 |
| 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 |
| TCMH132 | Scutellaria barbata | Ban Zhi Lian | 半枝莲 |
Showing 1 to 10 of 52 entries
Ingredient ID: TCMC1239
Formula: C12H20O2
Ingredient ID: TCMC1239
| Common Name | Geranyl Acetate |
| IUPAC Name | [(2E)-3,7-dimethylocta-2,6-dienyl] acetate |
| Canonical SMILES | C/C(=CCOC(=O)C)/CCC=C(C)C |
| Standard InCHI | InChI=1S/C12H20O2/c1-10(2)6-5-7-11(3)8-9-14-12(4)13/h6,8H,5,7,9H2,1-4H3/b11-8+ |
| Standard InCHIKey | HIGQPQRQIQDZMP-DHZHZOJOSA-N |
| External Identifiers | ChEMBL [CHEMBL1369384]; PubChem [1549026]; |
| Reference of Component-Ingredient Pair | 23449869 |
Occurrence of the ingredient across TCM components
| Component ID | Latin Name | Pinyin Name | Chinese Name |
|---|---|---|---|
| TCMH1063 | Curcuma longa | Jiang Huang | 姜黄 |
| 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 |
| TCMH1466 | Rosa rugosa | Mei Gui Hua | 玫瑰花 |
| TCMH1592 | Origanum vulgare | Niu Zhi | 牛至 |
| TCMH160 | Piper cubeba | Bi Cheng Qie | 毕澄茄 |
| TCMH1609 | Eupatorium fortunei | Pei Lan | 佩兰 |
| TCMH1753 | Boswellia carterii | Ru Xiang | 乳香 |
Showing 1 to 10 of 41 entries
Ingredient ID: TCMC1238
Formula: C10H18O
Ingredient ID: TCMC1238
| Common Name | Geraniol |
| IUPAC Name | (2E)-3,7-dimethylocta-2,6-dien-1-ol |
| Canonical SMILES | OC/C=C(/CCC=C(C)C)C |
| Standard InCHI | InChI=1S/C10H18O/c1-9(2)5-4-6-10(3)7-8-11/h5,7,11H,4,6,8H2,1-3H3/b10-7+ |
| Standard InCHIKey | GLZPCOQZEFWAFX-JXMROGBWSA-N |
| External Identifiers | ChEMBL [CHEMBL25719]; PubChem [637566]; |
| Reference of Component-Ingredient Pair | 29070885 |
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 |
| TCMH1179 | Citri exocarpium rubrum | Ju Hong | 橘红 |
| TCMH1184 | Citrus reticulata | Ju Pi | 橘皮 |
| TCMH12 | Artemisia argyi | Ai Ye | 艾叶 |
| TCMH1275 | Nelumbo nucifera | Lian Zi | 莲子 |
| TCMH1276 | Nelumbo nucifera | Lian Zi Xin | 莲子心 |
Showing 1 to 10 of 56 entries
Ingredient ID: TCMC1162
Formula: C18H16O7
Ingredient ID: TCMC1162
| Common Name | Eupatilin |
| IUPAC Name | 2-(3,4-dimethoxyphenyl)-5,7-dihydroxy-6-methoxychromen-4-one |
| Canonical SMILES | COc1cc(ccc1OC)c1cc(=O)c2c(o1)cc(c(c2O)OC)O |
| Standard InCHI | InChI=1S/C18H16O7/c1-22-12-5-4-9(6-14(12)23-2)13-7-10(19)16-15(25-13)8-11(20)18(24-3)17(16)21/h4-8,20-21H,1-3H3 |
| Standard InCHIKey | DRRWBCNQOKKKOL-UHFFFAOYSA-N |
| External Identifiers | ChEMBL [CHEMBL312750]; PubChem [5273755]; |
| Reference of Component-Ingredient Pair | 22941483 |
Occurrence of the ingredient across TCM components
| Component ID | Latin Name | Pinyin Name | Chinese Name |
|---|---|---|---|
| TCMH1142 | Schizonepetae spica | Jing Jie Sui | 荆芥穗 |
| 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 |
| TCMH2201 | Securidaca inappendiculata | Wu Wei Teng | 五味藤 |
| TCMH2211 | Artemisia princeps | Wu Yue Ai | 五月艾 |
| TCMH2452 | Chrysanthemum indicum | Ye Ju Hua | 野菊花 |
Showing 1 to 8 of 8 entries
Ingredient ID: TCMC1159
Formula: C10H12O2
Ingredient ID: TCMC1159
| Common Name | Eugenol |
| IUPAC Name | 2-methoxy-4-prop-2-enylphenol |
| Canonical SMILES | C=CCc1ccc(c(c1)OC)O |
| Standard InCHI | InChI=1S/C10H12O2/c1-3-4-8-5-6-9(11)10(7-8)12-2/h3,5-7,11H,1,4H2,2H3 |
| Standard InCHIKey | RRAFCDWBNXTKKO-UHFFFAOYSA-N |
| External Identifiers | ChEMBL [CHEMBL42710]; PubChem [3314]; |
| Reference of Component-Ingredient Pair | 29191726 |
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 |
| TCMH1064 | Coptis chinensis | Jiang Huang Lian | 姜黄连 |
| TCMH108 | Perilla frutescens | Bai Su Zi | 白苏子 |
| TCMH1127 | Lonicera japonica | Jin Yin Hua | 金银花 |
| TCMH1128 | Lonicera japonica | Jin Yin Hua Ti Qu Ye | 金银花提取液 |
| TCMH1158 | Ocimum basilicum | Jiu Ceng Ta | 九层塔 |
| TCMH1161 | Coptis chinensis | Jiu Huang Lian | 酒黄连 |
Showing 1 to 10 of 140 entries
Ingredient ID: TCMC1157
Formula: C10H18O
Ingredient ID: TCMC1157
| Common Name | Eucalyptol |
| IUPAC Name | 2,2,4-trimethyl-3-oxabicyclo[2.2.2]octane |
| Canonical SMILES | CC12CCC(CC1)C(O2)(C)C |
| Standard InCHI | InChI=1S/C10H18O/c1-9(2)8-4-6-10(3,11-9)7-5-8/h8H,4-7H2,1-3H3 |
| Standard InCHIKey | WEEGYLXZBRQIMU-UHFFFAOYSA-N |
| External Identifiers | ChEMBL [CHEMBL485259]; PubChem [2758]; |
| Reference of Component-Ingredient Pair | 26795242 |
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 |
| TCMH1158 | Ocimum basilicum | Jiu Ceng Ta | 九层塔 |
| TCMH1181 | Chrysanthemum morifolium | Ju Hua | 菊花 |
| TCMH12 | Artemisia argyi | Ai Ye | 艾叶 |
| TCMH1215 | Sophora flavescens | Ku Shen | 苦参 |
| TCMH1225 | Valeriana officinalis | Kuan Ye Xie Cao | 宽叶缬草 |
| TCMH1277 | Alpinia officinarum | Liang Jiang | 良姜 |
| TCMH1290 | Ocimum basilicum | Ling Ling Xiang | 零陵香 |
Showing 1 to 10 of 109 entries
Ingredient ID: TCMC1131
Formula: C9H6O4
Ingredient ID: TCMC1131
| Common Name | Esculetin |
| IUPAC Name | 6,7-dihydroxychromen-2-one |
| Canonical SMILES | O=c1ccc2c(o1)cc(c(c2)O)O |
| Standard InCHI | InChI=1S/C9H6O4/c10-6-3-5-1-2-9(12)13-8(5)4-7(6)11/h1-4,10-11H |
| Standard InCHIKey | ILEDWLMCKZNDJK-UHFFFAOYSA-N |
| External Identifiers | ChEMBL [CHEMBL244743]; PubChem [5281416]; |
| Reference of Component-Ingredient Pair | 22733374 |
Occurrence of the ingredient across TCM components
| Component ID | Latin Name | Pinyin Name | Chinese Name |
|---|---|---|---|
| TCMH1032 | Impatiens balsamina | Ji Xing Zi | 急性子 |
| 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 |
| TCMH1128 | Lonicera japonica | Jin Yin Hua Ti Qu Ye | 金银花提取液 |
| TCMH1162 | Sarcandra glabra | Jiu Jie Cha | 九节茶 |
| TCMH1185 | Lycium chinense | Gou Qi | 枸杞 |
| TCMH1186 | Lycium chinense | Gou Qi Zi | 枸杞子 |
| TCMH12 | Artemisia argyi | Ai Ye | 艾叶 |
| TCMH120 | Atractylodes macrocephala | Bai Zhu | 白术 |
Showing 1 to 10 of 79 entries
Ingredient ID: TCMC1038
Formula: C12H14O4
Ingredient ID: TCMC1038
| Common Name | Diethyl Phthalate |
| IUPAC Name | diethyl benzene-1,2-dicarboxylate |
| Canonical SMILES | CCOC(=O)c1ccccc1C(=O)OCC |
| Standard InCHI | InChI=1S/C12H14O4/c1-3-15-11(13)9-7-5-6-8-10(9)12(14)16-4-2/h5-8H,3-4H2,1-2H3 |
| Standard InCHIKey | FLKPEMZONWLCSK-UHFFFAOYSA-N |
| External Identifiers | ChEMBL [CHEMBL388558]; PubChem [6781]; |
| Reference of Component-Ingredient Pair | 29325824 |
Occurrence of the ingredient across TCM components
| Component ID | Latin Name | Pinyin Name | Chinese Name |
|---|---|---|---|
| TCMH1114 | Herba glechomae longitubae | Jin Qian Cao | 金钱草 |
| 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 |
| TCMH1518 | Chaenomeles sinensis | Mu Gua | 木瓜 |
| TCMH1609 | Eupatorium fortunei | Pei Lan | 佩兰 |
| TCMH1846 | Artemisia capillaris | Shan Yin Chen | 山茵陈 |
| TCMH1903 | Zingiber officinale | Sheng Jiang | 生姜 |
| TCMH1939 | Combretum indicum | Shi Jun Zi Ren | 使君子仁 |
Showing 1 to 10 of 23 entries
Ingredient ID: TCMC1031
Formula: C16H22O4
Ingredient ID: TCMC1031
| Common Name | Dibutyl Phthalate |
| IUPAC Name | dibutyl benzene-1,2-dicarboxylate |
| Canonical SMILES | CCCCOC(=O)c1ccccc1C(=O)OCCCC |
| Standard InCHI | InChI=1S/C16H22O4/c1-3-5-11-19-15(17)13-9-7-8-10-14(13)16(18)20-12-6-4-2/h7-10H,3-6,11-12H2,1-2H3 |
| Standard InCHIKey | DOIRQSBPFJWKBE-UHFFFAOYSA-N |
| External Identifiers | ChEMBL [CHEMBL272485]; PubChem [3026]; |
| Reference of Component-Ingredient Pair | 29385629 |
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 |
| TCMH1175 | Cornus officinalis | Jiu Yu Rou | 酒萸肉 |
| TCMH12 | Artemisia argyi | Ai Ye | 艾叶 |
| TCMH1223 | Tussilago farfara | Kuan Dong Hua | 款冬花 |
| TCMH1264 | Litchi chinensis | Li Zhi He | 荔枝核 |
| TCMH1275 | Nelumbo nucifera | Lian Zi | 莲子 |
| TCMH1276 | Nelumbo nucifera | Lian Zi Xin | 莲子心 |
| TCMH13 | Artemisia argyi | Ai Ye You | 艾叶油 |
| TCMH1437 | Rhododendron dauricum | Man Shan Hong | 满山红 |
Showing 1 to 10 of 57 entries
Ingredient ID: TCMC1022
Formula: C13H18O2
Ingredient ID: TCMC1022
| Common Name | Dexibuprofen |
| IUPAC Name | (2S)-2-[4-(2-methylpropyl)phenyl]propanoic acid |
| Canonical SMILES | CC(Cc1ccc(cc1)[C@@H](C(=O)O)C)C |
| Standard InCHI | InChI=1S/C13H18O2/c1-9(2)8-11-4-6-12(7-5-11)10(3)13(14)15/h4-7,9-10H,8H2,1-3H3,(H,14,15)/t10-/m0/s1 |
| Standard InCHIKey | HEFNNWSXXWATRW-JTQLQIEISA-N |
| External Identifiers | ChEMBL [CHEMBL175]; PubChem [39912]; |
| Reference of Component-Ingredient Pair | N/A |
Occurrence of the ingredient across TCM components
Properties
| Ingredient ID | Formulae | Name | MW | AlogP | MlogP | XlogP | # HBA | # HBD | PSA | # Rotatable Bond | # Ring | # Heacy Atom | Lipinski RO5 Violation |
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| TCMC1022 | C13H18O2 | Dexibuprofen | 206.13 | 0.9491 | 2.67 | 5.342 | 2 | 1 | 37.3 | 8 | 1 | 15 | 1 |
| TCMC1031 | C16H22O4 | Dibutyl Phthalate | 278.15 | -1.2084 | 2.78 | 5.034 | 4 | 0 | 52.6 | 12 | 1 | 20 | 1 |
| TCMC1038 | C12H14O4 | Diethyl Phthalate | 222.09 | 0.5232 | 2.34 | 3.18 | 4 | 0 | 52.6 | 8 | 1 | 16 | 0 |
| TCMC1131 | C9H6O4 | Esculetin | 178.03 | -0.6506 | 2.01 | 0.998 | 1 | 2 | 66.76 | 2 | 2 | 13 | 0 |
| TCMC1157 | C10H18O | Eucalyptol | 154.14 | 1.3109 | 2.45 | 2.595 | 1 | 0 | 9.23 | 3 | 0 | 11 | 0 |
| TCMC1159 | C10H12O2 | Eugenol | 164.08 | 0.5166 | 2.34 | 2.484 | 0 | 1 | 29.46 | 5 | 1 | 12 | 0 |
| TCMC1162 | C18H16O7 | Eupatilin | 344.09 | -1.5796 | 2.67 | 1.198 | 1 | 2 | 94.45 | 9 | 3 | 25 | 0 |
| TCMC1238 | C10H18O | Geraniol | 154.14 | 2.3397 | 2.45 | 2.524 | 1 | 1 | 20.23 | 8 | 0 | 11 | 0 |
| TCMC1239 | C12H20O2 | Geranyl Acetate | 196.15 | 2.7188 | 2.56 | 3.264 | 2 | 0 | 26.3 | 10 | 0 | 14 | 0 |
| TCMC1315 | C7H14O | Heptanal | 114.1 | -1.2583 | 2.12 | 2.863 | 1 | 0 | 17.07 | 6 | 0 | 8 | 0 |
Showing 1 to 10 of 214 entries
Download Data
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