Description of the Component
Component ID |
TCMH1299 |
Latin Name |
Ganoderma lucidum |
English Name |
Lucid ganoderma |
Chinese Pinyin Name |
Ling Zhi(1) |
中文名 |
灵芝 |
TCM Properties |
Mild,Sweet |
TCM Meridians |
Lung,Spleen,Liver,Heart,Kidney |
Therapeutic Class English |
|
Therapeutic Class Chinese |
|
Functions |
|
Toxicity |
NA |
Geo-authentic habitats (道地产区) |
Anhui Province |
Reference |
Chinese Pharmacopoeia (2015) |
Barcode ID |
MGEN736-15 |
Barcode Source |
BOLDSYSTEMS |
TCM Prescriptions with the Component
| Prescription ID | Prescription English Name | Prescription Chinese Name |
|---|---|---|
| TCMF1018 | Yi Nao Ning Tablet | 益脑宁片 |
| TCMF219 | San Bao Capsule | 三宝胶囊 |
| TCMF2398 | Oral Liquid of Taishan Lucid Ganoderma | |
| TCMF2938 | An Shen Syrup | 安神糖浆 |
| TCMF3030 | Bu Shen Yi Shou Capsules | 补肾益寿胶囊 |
| TCMF3066 | Bai Shi Pills | 白蚀丸 |
| TCMF3360 | Shen Qi Bo Li Kang Tablets | 参芪博力康片 |
| TCMF3677 | Fu Fang Ling Zhi Infusion | 复方灵芝冲剂 |
| TCMF4290 | Ling Zhi Gui Yuan Wine | 灵芝桂圆酒 |
| TCMF4328 | Ling Zhi Yi Shou Capsules | 灵芝益寿胶囊 |
Showing 1 to 10 of 49 entries
Targeted Human Proteins by the Ingredient of Component
| Target ID | Gene Symbol | Target Name | Target Class | Uniprot ID |
|---|---|---|---|---|
| TCMT1 | EHMT2 | Histone-lysine N-methyltransferase, H3 lysine-9 specific 3 | Transferase | Q96KQ7 |
| TCMT100 | TTR | Transthyretin | Unclassified | P02766 |
| TCMT101 | PTPN1 | Protein-tyrosine phosphatase 1B | Hydrolase | P18031 |
| TCMT102 | ACP1 | Low molecular weight phosphotyrosine protein phosphatase | Hydrolase | P24666 |
| TCMT103 | PTPRF | Receptor-type tyrosine-protein phosphatase F (LAR) | Hydrolase | P10586 |
| TCMT11 | HIF1A | Hypoxia-inducible factor 1 alpha | Transcription factor | Q16665 |
| TCMT112 | ADORA3 | Adenosine A3 receptor | GPCR | P0DMS8 |
| TCMT125 | GBA | Beta-glucocerebrosidase | Hydrolase | P04062 |
| TCMT126 | TERT | Telomerase reverse transcriptase | Transferase | O14746 |
| TCMT127 | PARP1 | Poly [ADP-ribose] polymerase-1 | Transferase | P09874 |
Showing 1 to 10 of 173 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 |
| TCMT1104 | Sortase |
| TCMT1107 | Protease |
| TCMT1109 | Reverse transcriptase |
| TCMT1121 | Sialidase |
| TCMT1136 | Neuraminidase |
Showing 1 to 10 of 51 entries
Ingredient Structrues
Ingredient ID: TCMC995
Formula: C35H60O6
Ingredient ID: TCMC995
| Common Name | Daucosterol |
| IUPAC Name | (2R,3R,4S,5S,6R)-2-[[(3S,8S,9S,10R,13R,14S,17R)-17-[(2R,5R)-5-ethyl-6-methylheptan-2-yl]-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl]oxy]-6-(hydroxymethyl)oxane-3,4,5-triol |
| Canonical SMILES | CC[C@@H](C(C)C)CC[C@H]([C@H]1CC[C@@H]2[C@]1(C)CC[C@H]1[C@H]2CC=C2[C@]1(C)CC[C@@H](C2)O[C@@H]1O[C@H](CO)[C@H]([C@@H]([C@H]1O)O)O)C |
| Standard InCHI | InChI=1S/C35H60O6/c1-7-22(20(2)3)9-8-21(4)26-12-13-27-25-11-10-23-18-24(14-16-34(23,5)28(25)15-17-35(26,27)6)40-33-32(39)31(38)30(37)29(19-36)41-33/h10,20-22,24-33,36-39H,7-9,11-19H2,1-6H3/t21-,22-,24+,25+,26-,27+,28+,29-,30-,31+,32-,33-,34+,35-/m1/s1 |
| Standard InCHIKey | NPJICTMALKLTFW-OFUAXYCQSA-N |
| External Identifiers | ChEMBL [CHEMBL506678]; PubChem [5742590]; |
| Reference of Component-Ingredient Pair | 16261518 |
Occurrence of the ingredient across TCM components
| Component ID | Latin Name | Pinyin Name | Chinese Name |
|---|---|---|---|
| TCMH1008 | Pogostemon cablin | Huo Xiang | 藿香 |
| TCMH1009 | Pogostemon cablin | Huo Xiang Ye | 藿香叶 |
| TCMH1011 | Sargentodoxa cuneata | Huo Xue Teng | 活血藤 |
| TCMH1032 | Impatiens balsamina | Ji Xing Zi | 急性子 |
| TCMH1033 | Centella asiatica | Ji Xue Cao | 积雪草 |
| TCMH1036 | Spatholobus suberectus | Ji Xue Teng | 鸡血藤 |
| TCMH1037 | Spatholobus suberectus | Ji Xue Teng Gan Gao | 鸡血藤干膏 |
| TCMH1038 | Spatholobus suberectus | Ji Xue Teng Gao | 鸡血藤膏 |
| TCMH1078 | Fructus gardeniae preparata | Jiao Shan Zhi | 焦山栀 |
| TCMH108 | Perilla frutescens | Bai Su Zi | 白苏子 |
Showing 1 to 10 of 223 entries
Ingredient ID: TCMC985
Formula: C3H7NO2
Ingredient ID: TCMC985
| Common Name | D-Alanine |
| IUPAC Name | (2R)-2-azaniumylpropanoate |
| Canonical SMILES | C[C@H](C(=O)O)N |
| Standard InCHI | InChI=1S/C3H7NO2/c1-2(4)3(5)6/h2H,4H2,1H3,(H,5,6)/t2-/m1/s1 |
| Standard InCHIKey | QNAYBMKLOCPYGJ-UWTATZPHSA-N |
| External Identifiers | ChEMBL [CHEMBL66693]; PubChem [7311725]; |
| Reference of Component-Ingredient Pair | N/A |
Occurrence of the ingredient across TCM components
| Component ID | Latin Name | Pinyin Name | Chinese Name |
|---|---|---|---|
| TCMH1090 | Brassica juncea | Jie Zi | 芥子 |
| TCMH1223 | Tussilago farfara | Kuan Dong Hua | 款冬花 |
| TCMH1296 | Ganoderma lucidum | Ling Zhi Jin Gao | 灵芝浸膏 |
| TCMH1299 | Ganoderma lucidum | Ling Zhi(1) | 灵芝 |
| TCMH1343 | Aloe vera | Lu Hui | 芦荟 |
| TCMH1483 | Tussilago farfara | Mi Kuan Dong Hua | 蜜款冬花 |
| TCMH1632 | Taraxacum mongolicum | Pu Gong Ying | 蒲公英 |
| TCMH1633 | Taraxacum mongolicum | Pu Gong Ying Jin Gao | 蒲公英浸膏 |
| TCMH1734 | Homo sapiens | Ren Zhong Bai | 人中白 |
| TCMH197 | Bombyx mori | Can E | 蚕蛾 |
Showing 1 to 10 of 26 entries
Ingredient ID: TCMC978
Formula: C9H13N3O5
Ingredient ID: TCMC978
| Common Name | Cytidine |
| IUPAC Name | 4-amino-1-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]pyrimidin-2-one |
| Canonical SMILES | OC[C@H]1O[C@H]([C@@H]([C@@H]1O)O)n1ccc(=N)nc1O |
| Standard InCHI | InChI=1S/C9H13N3O5/c10-5-1-2-12(9(16)11-5)8-7(15)6(14)4(3-13)17-8/h1-2,4,6-8,13-15H,3H2,(H2,10,11,16)/t4-,6-,7-,8-/m1/s1 |
| Standard InCHIKey | UHDGCWIWMRVCDJ-XVFCMESISA-N |
| External Identifiers | ChEMBL [CHEMBL95606]; PubChem [6175]; |
| Reference of Component-Ingredient Pair | N/A |
Occurrence of the ingredient across TCM components
| Component ID | Latin Name | Pinyin Name | Chinese Name |
|---|---|---|---|
| TCMH1296 | Ganoderma lucidum | Ling Zhi Jin Gao | 灵芝浸膏 |
| TCMH1299 | Ganoderma lucidum | Ling Zhi(1) | 灵芝 |
| TCMH130 | Pinellia ternata | Ban Xia | 半夏 |
| TCMH131 | Pinellia ternata | Ban Xia Qu | 半夏曲 |
| TCMH1626 | Fritillaria ussuriensis | Ping Bei Mu | 平贝母 |
| TCMH1677 | Pinellia ternata | Qing Ban Xia | 清半夏 |
| 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 |
| TCMH1772 | Panax notoginseng | San Qi Hua | 三七花 |
Showing 1 to 10 of 21 entries
Ingredient ID: TCMC913
Formula: C15H14O6
Ingredient ID: TCMC913
| Common Name | Cianidanol |
| IUPAC Name | (2R,3S)-2-(3,4-dihydroxyphenyl)-3,4-dihydro-2H-chromene-3,5,7-triol |
| Canonical SMILES | Oc1cc2O[C@H](c3ccc(c(c3)O)O)[C@H](Cc2c(c1)O)O |
| Standard InCHI | InChI=1S/C15H14O6/c16-8-4-11(18)9-6-13(20)15(21-14(9)5-8)7-1-2-10(17)12(19)3-7/h1-5,13,15-20H,6H2/t13-,15+/m0/s1 |
| Standard InCHIKey | PFTAWBLQPZVEMU-DZGCQCFKSA-N |
| External Identifiers | ChEMBL [CHEMBL311498]; PubChem [9064]; |
| Reference of Component-Ingredient Pair | 26452509 |
Occurrence of the ingredient across TCM components
| Component ID | Latin Name | Pinyin Name | Chinese Name |
|---|---|---|---|
| TCMH1011 | Sargentodoxa cuneata | Huo Xue Teng | 活血藤 |
| TCMH1033 | Centella asiatica | Ji Xue Cao | 积雪草 |
| TCMH1039 | Kummerowia striata | Ji Yan Cao | 鸡眼草 |
| TCMH104 | Paeonia lactiflora | Bai Shao | 白芍 |
| TCMH105 | Paeonia lactiflora | Bai Shao Gan Jin Gao | 白芍干浸膏 |
| TCMH1090 | Brassica juncea | Jie Zi | 芥子 |
| TCMH1105 | Trollius chinensis | Jin Lian Hua | 金莲花 |
| TCMH1117 | Rhizoma fagopyri cymosi | Jin Qiao Mai | 金荞麦 |
| TCMH1133 | Rosa laevigata | Jin Ying Zi | 金樱子 |
| TCMH1134 | Rosa laevigata | Jin Ying Zi Rou | 金樱子肉 |
Showing 1 to 10 of 134 entries
Ingredient ID: TCMC878
Formula: C15H14O6
Ingredient ID: TCMC878
| Common Name | Catechin |
| IUPAC Name | 2-(3,4-dihydroxyphenyl)-3,4-dihydro-2H-chromene-3,5,7-triol |
| Canonical SMILES | Oc1cc2OC(c3ccc(c(c3)O)O)C(Cc2c(c1)O)O |
| Standard InCHI | InChI=1S/C15H14O6/c16-8-4-11(18)9-6-13(20)15(21-14(9)5-8)7-1-2-10(17)12(19)3-7/h1-5,13,15-20H,6H2 |
| Standard InCHIKey | PFTAWBLQPZVEMU-UHFFFAOYSA-N |
| External Identifiers | ChEMBL [CHEMBL206452]; PubChem [1203]; |
| Reference of Component-Ingredient Pair | N/A |
Occurrence of the ingredient across TCM components
| Component ID | Latin Name | Pinyin Name | Chinese Name |
|---|---|---|---|
| TCMH1011 | Sargentodoxa cuneata | Huo Xue Teng | 活血藤 |
| TCMH1033 | Centella asiatica | Ji Xue Cao | 积雪草 |
| TCMH108 | Perilla frutescens | Bai Su Zi | 白苏子 |
| TCMH1090 | Brassica juncea | Jie Zi | 芥子 |
| TCMH1133 | Rosa laevigata | Jin Ying Zi | 金樱子 |
| TCMH1134 | Rosa laevigata | Jin Ying Zi Rou | 金樱子肉 |
| TCMH1135 | Rosa laevigata | Jin Ying Zi Ti Qu Ye | 金樱子提取液 |
| TCMH1165 | Murraya paniculata | Jiu Li Xiang | 九里香 |
| TCMH1275 | Nelumbo nucifera | Lian Zi | 莲子 |
| TCMH1276 | Nelumbo nucifera | Lian Zi Xin | 莲子心 |
Showing 1 to 10 of 92 entries
Ingredient ID: TCMC811
Formula: C16H12O5
Ingredient ID: TCMC811
| Common Name | Biochanin |
| IUPAC Name | 5,7-dihydroxy-3-(4-methoxyphenyl)chromen-4-one |
| Canonical SMILES | COc1ccc(cc1)c1coc2c(c1=O)c(O)cc(c2)O |
| Standard InCHI | InChI=1S/C16H12O5/c1-20-11-4-2-9(3-5-11)12-8-21-14-7-10(17)6-13(18)15(14)16(12)19/h2-8,17-18H,1H3 |
| Standard InCHIKey | WUADCCWRTIWANL-UHFFFAOYSA-N |
| External Identifiers | ChEMBL [CHEMBL131921]; PubChem [5280373]; |
| Reference of Component-Ingredient Pair | N/A |
Occurrence of the ingredient across TCM components
| Component ID | Latin Name | Pinyin Name | Chinese Name |
|---|---|---|---|
| TCMH1165 | Murraya paniculata | Jiu Li Xiang | 九里香 |
| TCMH1215 | Sophora flavescens | Ku Shen | 苦参 |
| TCMH1296 | Ganoderma lucidum | Ling Zhi Jin Gao | 灵芝浸膏 |
| TCMH1299 | Ganoderma lucidum | Ling Zhi(1) | 灵芝 |
| 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 |
| TCMH1537 | Baphicacanthus cusia | Nan Ban Lan Gen | 南板蓝根 |
Showing 1 to 10 of 24 entries
Ingredient ID: TCMC805
Formula: C30H46O3
Ingredient ID: TCMC805
| Common Name | Betunolic Acid |
| IUPAC Name | (1R,3aS,5aR,5bR,7aR,11aR,11bR,13aR,13bR)-5a,5b,8,8,11a-pentamethyl-9-oxo-1-prop-1-en-2-yl-2,3,4,5,6,7,7a,10,11,11b,12,13,13a,13b-tetradecahydro-1H-cyclopenta[a]chrysene-3a-carboxylic acid |
| Canonical SMILES | CC(=C)[C@@H]1CC[C@]2([C@H]1[C@H]1CC[C@H]3[C@@]([C@]1(C)CC2)(C)CC[C@@H]1[C@]3(C)CCC(=O)C1(C)C)C(=O)O |
| Standard InCHI | InChI=1S/C30H46O3/c1-18(2)19-10-15-30(25(32)33)17-16-28(6)20(24(19)30)8-9-22-27(5)13-12-23(31)26(3,4)21(27)11-14-29(22,28)7/h19-22,24H,1,8-17H2,2-7H3,(H,32,33)/t19-,20+,21-,22+,24+,27-,28+,29+,30-/m0/s1 |
| Standard InCHIKey | SLJTWDNVZKIDAU-SVAFSPIFSA-N |
| External Identifiers | ChEMBL [CHEMBL431525]; PubChem [122844]; |
| Reference of Component-Ingredient Pair | 17290322 |
Occurrence of the ingredient across TCM components
| Component ID | Latin Name | Pinyin Name | Chinese Name |
|---|---|---|---|
| TCMH1175 | Cornus officinalis | Jiu Yu Rou | 酒萸肉 |
| TCMH1296 | Ganoderma lucidum | Ling Zhi Jin Gao | 灵芝浸膏 |
| TCMH1299 | Ganoderma lucidum | Ling Zhi(1) | 灵芝 |
| TCMH1348 | Liquidambar formosana | Lu Lu Tong | 路路通 |
| TCMH1539 | Cucurbita moschata | Nan Gua | 南瓜 |
| TCMH1584 | Achyranthes bidentata | Niu Teng | 牛藤 |
| TCMH1588 | Achyranthes bidentata | Niu Xi | 牛膝 |
| TCMH1643 | Syzygium jambos | Pu Tao(1) | 蒲桃 |
| TCMH1862 | Cornus officinalis | Shan Zhu Yu | 山茱萸 |
| TCMH2072 | Rhodomyrtus tomentosa | Tao Jin Niang Gen | 桃金娘根 |
Showing 1 to 10 of 19 entries
Ingredient ID: TCMC801
Formula: C29H50O
Ingredient ID: TCMC801
| Common Name | Beta-Sitosterol |
| IUPAC Name | (3S,8S,9S,10R,13R,14S,17R)-17-[(2R,5R)-5-ethyl-6-methylheptan-2-yl]-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-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-VJSFXXLFSA-N |
| External Identifiers | ChEMBL [CHEMBL221542]; PubChem [222284]; |
| Reference of Component-Ingredient Pair | 24130033 |
Occurrence of the ingredient across TCM components
| Component ID | Latin Name | Pinyin Name | Chinese Name |
|---|---|---|---|
| TCMH1008 | Pogostemon cablin | Huo Xiang | 藿香 |
| TCMH1009 | Pogostemon cablin | Huo Xiang Ye | 藿香叶 |
| TCMH1011 | Sargentodoxa cuneata | Huo Xue Teng | 活血藤 |
| TCMH1017 | Oxytropis myriophylla | Ji Dou | 棘豆 |
| TCMH1032 | Impatiens balsamina | Ji Xing Zi | 急性子 |
| TCMH1033 | Centella asiatica | Ji Xue Cao | 积雪草 |
| TCMH1045 | Piper sarmentosum | Jia Ju | 假蒟 |
| TCMH1051 | Piper sarmentosum | Jia 蒟ye | 假蒟叶 |
| TCMH1063 | Curcuma longa | Jiang Huang | 姜黄 |
| TCMH1064 | Coptis chinensis | Jiang Huang Lian | 姜黄连 |
Showing 1 to 10 of 331 entries
Ingredient ID: TCMC780
Formula: C10H16N.ClH
Ingredient ID: TCMC780
| Common Name | Benzyl(Trimethyl)Azanium;Chloride |
| IUPAC Name | benzyl(trimethyl)azanium;chloride |
| Canonical SMILES | C[N+](Cc1ccccc1)(C)C.[Cl-] |
| Standard InCHI | InChI=1S/C10H16N.ClH/c1-11(2,3)9-10-7-5-4-6-8-10;/h4-8H,9H2,1-3H3;1H/q+1;/p-1 |
| Standard InCHIKey | KXHPPCXNWTUNSB-UHFFFAOYSA-M |
| External Identifiers | ChEMBL [CHEMBL1372143]; PubChem [5963]; |
| Reference of Component-Ingredient Pair | N/A |
Occurrence of the ingredient across TCM components
Ingredient ID: TCMC753
Formula: C9H16O4
Ingredient ID: TCMC753
| Common Name | Azelaic Acid |
| IUPAC Name | hydron;nonanedioate |
| Canonical SMILES | OC(=O)CCCCCCCC(=O)O |
| Standard InCHI | InChI=1S/C9H16O4/c10-8(11)6-4-2-1-3-5-7-9(12)13/h1-7H2,(H,10,11)(H,12,13) |
| Standard InCHIKey | BDJRBEYXGGNYIS-UHFFFAOYSA-N |
| External Identifiers | ChEMBL [CHEMBL1238]; PubChem [19347555]; |
| Reference of Component-Ingredient Pair | N/A |
Occurrence of the ingredient across TCM components
| Component ID | Latin Name | Pinyin Name | Chinese Name |
|---|---|---|---|
| TCMH110 | Cynanchum atratum | Bai Wei | 白薇 |
| TCMH1296 | Ganoderma lucidum | Ling Zhi Jin Gao | 灵芝浸膏 |
| TCMH1299 | Ganoderma lucidum | Ling Zhi(1) | 灵芝 |
| TCMH1343 | Aloe vera | Lu Hui | 芦荟 |
| TCMH1498 | Ranunculus ternatus | Mao Zhao Cao | 猫爪草 |
| TCMH1519 | Oroxylum indicum | Mu Hu Die | 木蝴蝶 |
| TCMH1539 | Cucurbita moschata | Nan Gua | 南瓜 |
| TCMH1734 | Homo sapiens | Ren Zhong Bai | 人中白 |
| TCMH2056 | Cynomorium songaricum | Suo Yang | 锁阳 |
| TCMH2360 | Brucea javanica | Ya Dan Zi | 鸦胆子 |
Showing 1 to 10 of 15 entries
Ingredient ID: TCMC7347
Formula: C30H42O8
Ingredient ID: TCMC7347
| Common Name | Ganoderic Acid N |
| IUPAC Name | (2R,6S)-6-hydroxy-6-[(5R,7S,10S,13R,14R,17S)-7-hydroxy-4,4,10,13,14-pentamethyl-3,11,15-trioxo-1,2,5,6,7,12,16,17-octahydrocyclopenta[a]phenanthren-17-yl]-2-methyl-4-oxoheptanoic acid |
| Canonical SMILES | O=C(C[C@@]([C@H]1CC(=O)[C@@]2([C@]1(C)CC(=O)C1=C2[C@@H](O)C[C@@H]2[C@]1(C)CCC(=O)C2(C)C)C)(O)C)C[C@H](C(=O)[O-])C |
| Standard InCHI | InChI=1S/C30H42O8/c1-15(25(36)37)10-16(31)13-29(6,38)20-12-22(35)30(7)24-17(32)11-19-26(2,3)21(34)8-9-27(19,4)23(24)18(33)14-28(20,30)5/h15,17,19-20,32,38H,8-14H2,1-7H3,(H,36,37)/p-1/t15-,17+,19+,20+,27+,28-,29+,30+/m1/s1 |
| Standard InCHIKey | XXHBQOHASACCAP-GRZMDTAMSA-M |
| External Identifiers | ChEMBL [N/A]; PubChem [125181882]; |
| Reference of Component-Ingredient Pair | N/A |
Occurrence of the ingredient across TCM components
Ingredient ID: TCMC7345
Formula: C30H44O8
Ingredient ID: TCMC7345
| Common Name | Ganoderic Acid I |
| IUPAC Name | (2S,6S)-6-[(3S,5R,7S,10S,13R,14R,17S)-3,7-dihydroxy-4,4,10,13,14-pentamethyl-11,15-dioxo-2,3,5,6,7,12,16,17-octahydro-1H-cyclopenta[a]phenanthren-17-yl]-6-hydroxy-2-methyl-4-oxoheptanoic acid |
| Canonical SMILES | O=C(C[C@@]([C@H]1CC(=O)[C@@]2([C@]1(C)CC(=O)C1=C2[C@@H](O)C[C@@H]2[C@]1(C)CC[C@@H](C2(C)C)O)C)(O)C)C[C@@H](C(=O)[O-])C |
| Standard InCHI | InChI=1S/C30H44O8/c1-15(25(36)37)10-16(31)13-29(6,38)20-12-22(35)30(7)24-17(32)11-19-26(2,3)21(34)8-9-27(19,4)23(24)18(33)14-28(20,30)5/h15,17,19-21,32,34,38H,8-14H2,1-7H3,(H,36,37)/p-1/t15-,17-,19-,20-,21-,27-,28+,29-,30-/m0/s1 |
| Standard InCHIKey | ZWMMEKXOLCCKLA-OXOSSNRSSA-M |
| External Identifiers | ChEMBL [N/A]; PubChem [124928706]; |
| Reference of Component-Ingredient Pair | N/A |
Occurrence of the ingredient across TCM components
Ingredient ID: TCMC7332
Formula: C30H42O8
Ingredient ID: TCMC7332
| Common Name | Ganode-8-En-Ric Acid D |
| IUPAC Name | (2R,6R)-6-[(5R,7S,10S,12S,13R,14R,17R)-7,12-dihydroxy-4,4,10,13,14-pentamethyl-3,11,15-trioxo-1,2,5,6,7,12,16,17-octahydrocyclopenta[a]phenanthren-17-yl]-2-methyl-4-oxoheptanoic acid |
| Canonical SMILES | O=C(C[C@H](C(=O)[O-])C)C[C@H]([C@H]1CC(=O)[C@@]2([C@]1(C)[C@H](O)C(=O)C1=C2[C@@H](O)C[C@@H]2[C@]1(C)CCC(=O)C2(C)C)C)C |
| Standard InCHI | InChI=1S/C30H42O8/c1-14(10-16(31)11-15(2)26(37)38)17-12-21(34)30(7)22-18(32)13-19-27(3,4)20(33)8-9-28(19,5)23(22)24(35)25(36)29(17,30)6/h14-15,17-19,25,32,36H,8-13H2,1-7H3,(H,37,38)/p-1/t14-,15-,17-,18+,19+,25-,28+,29+,30+/m1/s1 |
| Standard InCHIKey | LCIUOVOXWPIXOR-IYLGIJJASA-M |
| External Identifiers | ChEMBL [N/A]; PubChem [124518190]; |
| Reference of Component-Ingredient Pair | N/A |
Occurrence of the ingredient across TCM components
Ingredient ID: TCMC7329
Formula: C32H42O9
Ingredient ID: TCMC7329
| Common Name | Ganode-8-En-Ric Acid F |
| IUPAC Name | (2S,6R)-6-[(5R,10S,12S,13R,14R,17R)-12-acetyloxy-4,4,10,13,14-pentamethyl-3,7,11,15-tetraoxo-2,5,6,12,16,17-hexahydro-1H-cyclopenta[a]phenanthren-17-yl]-2-methyl-4-oxoheptanoic acid |
| Canonical SMILES | O=C(C[C@@H](C(=O)[O-])C)C[C@H]([C@H]1CC(=O)[C@@]2([C@]1(C)[C@H](OC(=O)C)C(=O)C1=C2C(=O)C[C@@H]2[C@]1(C)CCC(=O)C2(C)C)C)C |
| Standard InCHI | InChI=1S/C32H42O9/c1-15(11-18(34)12-16(2)28(39)40)19-13-23(37)32(8)24-20(35)14-21-29(4,5)22(36)9-10-30(21,6)25(24)26(38)27(31(19,32)7)41-17(3)33/h15-16,19,21,27H,9-14H2,1-8H3,(H,39,40)/p-1/t15-,16+,19-,21+,27-,30+,31+,32+/m1/s1 |
| Standard InCHIKey | BWCNWXLKMWWVBT-BUQPIMCASA-M |
| External Identifiers | ChEMBL [N/A]; PubChem [124428190]; |
| Reference of Component-Ingredient Pair | N/A |
Occurrence of the ingredient across TCM components
Ingredient ID: TCMC7298
Formula: C27H38O7
Ingredient ID: TCMC7298
| Common Name | Lucidenic Acid B |
| IUPAC Name | (4R)-4-[(5R,7S,10S,12S,13R,14R,17R)-7,12-dihydroxy-4,4,10,13,14-pentamethyl-3,11,15-trioxo-1,2,5,6,7,12,16,17-octahydrocyclopenta[a]phenanthren-17-yl]pentanoic acid |
| Canonical SMILES | [O-]C(=O)CC[C@H]([C@H]1CC(=O)[C@@]2([C@]1(C)[C@H](O)C(=O)C1=C2[C@@H](O)C[C@@H]2[C@]1(C)CCC(=O)C2(C)C)C)C |
| Standard InCHI | InChI=1S/C27H38O7/c1-13(7-8-19(31)32)14-11-18(30)27(6)20-15(28)12-16-24(2,3)17(29)9-10-25(16,4)21(20)22(33)23(34)26(14,27)5/h13-16,23,28,34H,7-12H2,1-6H3,(H,31,32)/p-1/t13-,14-,15+,16+,23-,25+,26+,27+/m1/s1 |
| Standard InCHIKey | GYRDSOABOBCYST-HFAARYGVSA-M |
| External Identifiers | ChEMBL [N/A]; PubChem [102410351]; |
| Reference of Component-Ingredient Pair | 29090550 |
Occurrence of the ingredient across TCM components
Ingredient ID: TCMC7220
Formula: C30H48O3
Ingredient ID: TCMC7220
| Common Name | Ganoderic Acid Z |
| IUPAC Name | (E,6R)-6-[(3R,5R,10S,13R,14R,17R)-3-hydroxy-4,4,10,13,14-pentamethyl-2,3,5,6,7,11,12,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-17-yl]-2-methylhept-2-enoic acid |
| Canonical SMILES | C[C@@H]([C@H]1CC[C@@]2([C@]1(C)CCC1=C2CC[C@@H]2[C@]1(C)CC[C@H](C2(C)C)O)C)CC/C=C(/C(=O)[O-])C |
| Standard InCHI | InChI=1S/C30H48O3/c1-19(9-8-10-20(2)26(32)33)21-13-17-30(7)23-11-12-24-27(3,4)25(31)15-16-28(24,5)22(23)14-18-29(21,30)6/h10,19,21,24-25,31H,8-9,11-18H2,1-7H3,(H,32,33)/p-1/b20-10+/t19-,21-,24+,25-,28-,29-,30+/m1/s1 |
| Standard InCHIKey | KGELVXQPIUKGCO-WPHHTHJVSA-M |
| External Identifiers | ChEMBL [N/A]; PubChem [101781706]; |
| Reference of Component-Ingredient Pair | N/A |
Occurrence of the ingredient across TCM components
Ingredient ID: TCMC7212
Formula: C27H36O6
Ingredient ID: TCMC7212
| Common Name | Ganolactone |
| IUPAC Name | (5R,7S,10S,13R,14R,17S)-7-hydroxy-4,4,10,13,14-pentamethyl-17-[(2S)-2-methyl-5-oxooxolan-2-yl]-1,2,5,6,7,12,16,17-octahydrocyclopenta[a]phenanthrene-3,11,15-trione |
| Canonical SMILES | O=C1CC[C@@](O1)(C)[C@H]1CC(=O)[C@@]2([C@]1(C)CC(=O)C1=C2[C@@H](O)C[C@@H]2[C@]1(C)CCC(=O)C2(C)C)C |
| Standard InCHI | InChI=1S/C27H36O6/c1-23(2)16-11-14(28)22-21(24(16,3)9-7-18(23)30)15(29)13-25(4)17(12-19(31)27(22,25)6)26(5)10-8-20(32)33-26/h14,16-17,28H,7-13H2,1-6H3/t14-,16-,17-,24-,25+,26-,27-/m0/s1 |
| Standard InCHIKey | NEYFZTSOEPMHGQ-YSROOBRHSA-N |
| External Identifiers | ChEMBL [N/A]; PubChem [101712064]; |
| Reference of Component-Ingredient Pair | 11520245 |
Occurrence of the ingredient across TCM components
Ingredient ID: TCMC7144
Formula: C32H48O4
Ingredient ID: TCMC7144
| Common Name | Lanosta-7,9(11),24-Trien-3Α-Acetoxy-26-Oic Acid |
| IUPAC Name | (E,6R)-6-[(3R,5R,10S,13R,14R,17R)-3-acetyloxy-4,4,10,13,14-pentamethyl-2,3,5,6,12,15,16,17-octahydro-1H-cyclopenta[a]phenanthren-17-yl]-2-methylhept-2-enoic acid |
| Canonical SMILES | CC(=O)O[C@@H]1CC[C@]2([C@H](C1(C)C)CC=C1C2=CC[C@]2([C@@]1(C)CC[C@@H]2[C@@H](CC/C=C(/C(=O)[O-])C)C)C)C |
| Standard InCHI | InChI=1S/C32H48O4/c1-20(10-9-11-21(2)28(34)35)23-14-18-32(8)25-12-13-26-29(4,5)27(36-22(3)33)16-17-30(26,6)24(25)15-19-31(23,32)7/h11-12,15,20,23,26-27H,9-10,13-14,16-19H2,1-8H3,(H,34,35)/p-1/b21-11+/t20-,23-,26+,27-,30-,31-,32+/m1/s1 |
| Standard InCHIKey | FUERKWNAVROYFF-PBYJRLTRSA-M |
| External Identifiers | ChEMBL [CHEMBL3787657]; PubChem [101602263]; |
| Reference of Component-Ingredient Pair | N/A |
Occurrence of the ingredient across TCM components
Ingredient ID: TCMC7143
Formula: C32H46O6
Ingredient ID: TCMC7143
| Common Name | Lanosta-7,9(11),24-Trien-15Α-Acetoxy-3Α-Hydroxy-23-Oxo-26-Oic Acid |
| IUPAC Name | (E,6R)-6-[(3R,5R,10S,13R,14R,15S,17R)-15-acetyloxy-3-hydroxy-4,4,10,13,14-pentamethyl-2,3,5,6,12,15,16,17-octahydro-1H-cyclopenta[a]phenanthren-17-yl]-2-methyl-4-oxohept-2-enoic acid |
| Canonical SMILES | CC(=O)O[C@H]1C[C@@H]([C@@]2([C@]1(C)C1=CC[C@@H]3[C@](C1=CC2)(C)CC[C@H](C3(C)C)O)C)[C@@H](CC(=O)/C=C(/C(=O)[O-])C)C |
| Standard InCHI | InChI=1S/C32H46O6/c1-18(15-21(34)16-19(2)28(36)37)24-17-27(38-20(3)33)32(8)23-9-10-25-29(4,5)26(35)12-13-30(25,6)22(23)11-14-31(24,32)7/h9,11,16,18,24-27,35H,10,12-15,17H2,1-8H3,(H,36,37)/p-1/b19-16+/t18-,24-,25+,26-,27+,30-,31-,32-/m1/s1 |
| Standard InCHIKey | LFZXDPZHYHAKCQ-IJDLACCFSA-M |
| External Identifiers | ChEMBL [N/A]; PubChem [101602254]; |
| Reference of Component-Ingredient Pair | N/A |
Occurrence of the ingredient across TCM components
Ingredient ID: TCMC7140
Formula: C32H48O5
Ingredient ID: TCMC7140
| Common Name | Ganode-7,9-Dien-Ric Acid X |
| IUPAC Name | (E,6R)-6-[(3R,5R,10S,13R,14R,15S,17R)-15-acetyloxy-3-hydroxy-4,4,10,13,14-pentamethyl-2,3,5,6,12,15,16,17-octahydro-1H-cyclopenta[a]phenanthren-17-yl]-2-methylhept-2-enoic acid |
| Canonical SMILES | CC(=O)O[C@H]1C[C@@H]([C@@]2([C@]1(C)C1=CC[C@@H]3[C@](C1=CC2)(C)CC[C@H](C3(C)C)O)C)[C@@H](CC/C=C(/C(=O)[O-])C)C |
| Standard InCHI | InChI=1S/C32H48O5/c1-19(10-9-11-20(2)28(35)36)24-18-27(37-21(3)33)32(8)23-12-13-25-29(4,5)26(34)15-16-30(25,6)22(23)14-17-31(24,32)7/h11-12,14,19,24-27,34H,9-10,13,15-18H2,1-8H3,(H,35,36)/p-1/b20-11+/t19-,24-,25+,26-,27+,30-,31-,32-/m1/s1 |
| Standard InCHIKey | YCWGPALSXRBKTM-XGNRZNIMSA-M |
| External Identifiers | ChEMBL [N/A]; PubChem [101600075]; |
| Reference of Component-Ingredient Pair | 15878354 |
Occurrence of the ingredient across TCM components
Ingredient ID: TCMC7139
Formula: C34H52O7
Ingredient ID: TCMC7139
| Common Name | Ganode-8-En-Ric Acid W |
| IUPAC Name | (E,6R)-6-[(3R,5R,7R,10S,13R,14R,15S,17R)-3,15-diacetyloxy-7-hydroxy-4,4,10,13,14-pentamethyl-2,3,5,6,7,11,12,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-17-yl]-2-methylhept-2-enoic acid |
| Canonical SMILES | CC(=O)O[C@H]1C[C@@H]([C@@]2([C@]1(C)C1=C(CC2)[C@@]2([C@@H](C[C@H]1O)C(C)(C)[C@@H](CC2)OC(=O)C)C)C)[C@@H](CC/C=C(/C(=O)[O-])C)C |
| Standard InCHI | InChI=1S/C34H52O7/c1-19(11-10-12-20(2)30(38)39)24-17-28(41-22(4)36)34(9)29-23(13-16-33(24,34)8)32(7)15-14-27(40-21(3)35)31(5,6)26(32)18-25(29)37/h12,19,24-28,37H,10-11,13-18H2,1-9H3,(H,38,39)/p-1/b20-12+/t19-,24-,25-,26+,27-,28+,32-,33-,34+/m1/s1 |
| Standard InCHIKey | DIXZQXARJMRUPX-GJVWFLRISA-M |
| External Identifiers | ChEMBL [N/A]; PubChem [101600074]; |
| Reference of Component-Ingredient Pair | N/A |
Occurrence of the ingredient across TCM components
Ingredient ID: TCMC7138
Formula: C32H48O6
Ingredient ID: TCMC7138
| Common Name | Ganode-8-En-Ric Acid V |
| IUPAC Name | (E,6R)-6-[(5R,7R,10S,13R,14R,15S,17R)-15-acetyloxy-7-hydroxy-4,4,10,13,14-pentamethyl-3-oxo-1,2,5,6,7,11,12,15,16,17-decahydrocyclopenta[a]phenanthren-17-yl]-2-methylhept-2-enoic acid |
| Canonical SMILES | CC(=O)O[C@H]1C[C@@H]([C@@]2([C@]1(C)C1=C(CC2)[C@@]2([C@@H](C[C@H]1O)C(C)(C)C(=O)CC2)C)C)[C@@H](CC/C=C(/C(=O)[O-])C)C |
| Standard InCHI | InChI=1S/C32H48O6/c1-18(10-9-11-19(2)28(36)37)22-16-26(38-20(3)33)32(8)27-21(12-15-31(22,32)7)30(6)14-13-25(35)29(4,5)24(30)17-23(27)34/h11,18,22-24,26,34H,9-10,12-17H2,1-8H3,(H,36,37)/p-1/b19-11+/t18-,22-,23-,24+,26+,30-,31-,32+/m1/s1 |
| Standard InCHIKey | KUXMNDKEYFTKBS-FBFSRSFHSA-M |
| External Identifiers | ChEMBL [N/A]; PubChem [101600073]; |
| Reference of Component-Ingredient Pair | N/A |
Occurrence of the ingredient across TCM components
Ingredient ID: TCMC7137
Formula: C30H48O4
Ingredient ID: TCMC7137
| Common Name | Ganode-8-En-Ric Acid U |
| IUPAC Name | (E,6R)-6-[(3R,5R,7R,10S,13R,14R,17R)-3,7-dihydroxy-4,4,10,13,14-pentamethyl-2,3,5,6,7,11,12,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-17-yl]-2-methylhept-2-enoic acid |
| Canonical SMILES | C[C@@H]([C@H]1CC[C@@]2([C@]1(C)CCC1=C2[C@H](O)C[C@@H]2[C@]1(C)CC[C@H](C2(C)C)O)C)CC/C=C(/C(=O)[O-])C |
| Standard InCHI | InChI=1S/C30H48O4/c1-18(9-8-10-19(2)26(33)34)20-11-16-30(7)25-21(12-15-29(20,30)6)28(5)14-13-24(32)27(3,4)23(28)17-22(25)31/h10,18,20,22-24,31-32H,8-9,11-17H2,1-7H3,(H,33,34)/p-1/b19-10+/t18-,20-,22-,23+,24-,28-,29-,30+/m1/s1 |
| Standard InCHIKey | QHLHTTNIUVMWRY-BMGHSXGVSA-M |
| External Identifiers | ChEMBL [N/A]; PubChem [101600072]; |
| Reference of Component-Ingredient Pair | N/A |
Occurrence of the ingredient across TCM components
Ingredient ID: TCMC7125
Formula: C30H42O7
Ingredient ID: TCMC7125
| Common Name | Ganoderic Acid Am1 |
| IUPAC Name | (2R,6R)-6-[(3S,5R,10S,13R,14R,17R)-3-hydroxy-4,4,10,13,14-pentamethyl-7,11,15-trioxo-1,2,3,5,6,12,16,17-octahydrocyclopenta[a]phenanthren-17-yl]-2-methyl-4-oxoheptanoic acid |
| Canonical SMILES | O=C(C[C@H](C(=O)[O-])C)C[C@H]([C@H]1CC(=O)[C@@]2([C@]1(C)CC(=O)C1=C2C(=O)C[C@@H]2[C@]1(C)CC[C@@H](C2(C)C)O)C)C |
| Standard InCHI | InChI=1S/C30H42O7/c1-15(10-17(31)11-16(2)26(36)37)18-12-23(35)30(7)25-19(32)13-21-27(3,4)22(34)8-9-28(21,5)24(25)20(33)14-29(18,30)6/h15-16,18,21-22,34H,8-14H2,1-7H3,(H,36,37)/p-1/t15-,16-,18-,21+,22+,28+,29-,30+/m1/s1 |
| Standard InCHIKey | RDMQPKIDHAFXKA-ZQOUWYKJSA-M |
| External Identifiers | ChEMBL [N/A]; PubChem [101416469]; |
| 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: TCMC6858
Formula: C30H50O4
Ingredient ID: TCMC6858
| Common Name | Ganoderiol A |
| IUPAC Name | (2R,3S,6R)-6-[(3S,5R,10S,13R,14R,17R)-3-hydroxy-4,4,10,13,14-pentamethyl-2,3,5,6,12,15,16,17-octahydro-1H-cyclopenta[a]phenanthren-17-yl]-2-methylheptane-1,2,3-triol |
| Canonical SMILES | OC[C@]([C@H](CC[C@H]([C@H]1CC[C@@]2([C@]1(C)CC=C1C2=CC[C@@H]2[C@]1(C)CC[C@@H](C2(C)C)O)C)C)O)(O)C |
| Standard InCHI | InChI=1S/C30H50O4/c1-19(8-11-25(33)30(7,34)18-31)20-12-16-29(6)22-9-10-23-26(2,3)24(32)14-15-27(23,4)21(22)13-17-28(20,29)5/h9,13,19-20,23-25,31-34H,8,10-12,14-18H2,1-7H3/t19-,20-,23+,24+,25+,27-,28-,29+,30-/m1/s1 |
| Standard InCHIKey | VMEFPSOTFFVAQJ-ALQKBHMUSA-N |
| External Identifiers | ChEMBL [N/A]; PubChem [66836775]; |
| Reference of Component-Ingredient Pair | US9376462 |
Occurrence of the ingredient across TCM components
Ingredient ID: TCMC6839
Formula: C30H46O3
Ingredient ID: TCMC6839
| Common Name | Ganode-7,9-Dien-Ric Acid Y |
| IUPAC Name | (E,6R)-6-[(3S,5R,10S,13R,14R,17R)-3-hydroxy-4,4,10,13,14-pentamethyl-2,3,5,6,12,15,16,17-octahydro-1H-cyclopenta[a]phenanthren-17-yl]-2-methylhept-2-enoic acid |
| Canonical SMILES | C[C@@H]([C@H]1CC[C@@]2([C@]1(C)CC=C1C2=CC[C@@H]2[C@]1(C)CC[C@@H](C2(C)C)O)C)CC/C=C(/C(=O)[O-])C |
| Standard InCHI | InChI=1S/C30H46O3/c1-19(9-8-10-20(2)26(32)33)21-13-17-30(7)23-11-12-24-27(3,4)25(31)15-16-28(24,5)22(23)14-18-29(21,30)6/h10-11,14,19,21,24-25,31H,8-9,12-13,15-18H2,1-7H3,(H,32,33)/p-1/b20-10+/t19-,21-,24+,25+,28-,29-,30+/m1/s1 |
| Standard InCHIKey | HUTCYUJPLOTDMX-SPPZYOJVSA-M |
| External Identifiers | ChEMBL [CHEMBL1915760]; PubChem [57397445]; |
| Reference of Component-Ingredient Pair | 29490285 |
Occurrence of the ingredient across TCM components
Ingredient ID: TCMC674
Formula: C29H50O3
Ingredient ID: TCMC674
| Common Name | Alpha-Tocoquinone |
| IUPAC Name | 2-[(3R,7R,11R)-3-hydroxy-3,7,11,15-tetramethylhexadecyl]-3,5,6-trimethylcyclohexa-2,5-diene-1,4-dione |
| Canonical SMILES | C[C@H](CCC[C@@H](CCCC(C)C)C)CCC[C@](CCC1=C(C)C(=O)C(=C(C1=O)C)C)(O)C |
| Standard InCHI | InChI=1S/C29H50O3/c1-20(2)12-9-13-21(3)14-10-15-22(4)16-11-18-29(8,32)19-17-26-25(7)27(30)23(5)24(6)28(26)31/h20-22,32H,9-19H2,1-8H3/t21-,22-,29-/m1/s1 |
| Standard InCHIKey | LTVDFSLWFKLJDQ-IEOSBIPESA-N |
| External Identifiers | ChEMBL [CHEMBL1223852]; PubChem [2734086]; |
| Reference of Component-Ingredient Pair | 24130033 |
Occurrence of the ingredient across TCM components
| Component ID | Latin Name | Pinyin Name | Chinese Name |
|---|---|---|---|
| TCMH1296 | Ganoderma lucidum | Ling Zhi Jin Gao | 灵芝浸膏 |
| TCMH1299 | Ganoderma lucidum | Ling Zhi(1) | 灵芝 |
| TCMH1539 | Cucurbita moschata | Nan Gua | 南瓜 |
| TCMH2281 | Citrus medica | Xiang Yuan | 香橼 |
| TCMH2282 | Citrus medica | Xiang Yuan Pi | 香橼皮 |
| TCMH2538 | Zea mays | Yu Mi Xu | 玉米须 |
| TCMH2664 | Hypocrella bambusae | Zhu Hong Jun | 竹红菌 |
Showing 1 to 7 of 7 entries
Ingredient ID: TCMC6711
Formula: C28H40O7
Ingredient ID: TCMC6711
| Common Name | Methyl Lucidenate L |
| IUPAC Name | methyl (4R)-4-[(3S,5R,10S,12S,13R,14R,17R)-3,12-dihydroxy-4,4,10,13,14-pentamethyl-7,11,15-trioxo-1,2,3,5,6,12,16,17-octahydrocyclopenta[a]phenanthren-17-yl]pentanoate |
| Canonical SMILES | COC(=O)CC[C@H]([C@H]1CC(=O)[C@@]2([C@]1(C)[C@H](O)C(=O)C1=C2C(=O)C[C@@H]2[C@]1(C)CC[C@@H](C2(C)C)O)C)C |
| Standard InCHI | InChI=1S/C28H40O7/c1-14(8-9-20(32)35-7)15-12-19(31)28(6)21-16(29)13-17-25(2,3)18(30)10-11-26(17,4)22(21)23(33)24(34)27(15,28)5/h14-15,17-18,24,30,34H,8-13H2,1-7H3/t14-,15-,17+,18+,24-,26+,27+,28+/m1/s1 |
| Standard InCHIKey | NGQBPTCJUKNWJC-JKTDPEJKSA-N |
| External Identifiers | ChEMBL [CHEMBL459488]; PubChem [44566900]; |
| Reference of Component-Ingredient Pair | N/A |
Occurrence of the ingredient across TCM components
Ingredient ID: TCMC6690
Formula: C32H50O4
Ingredient ID: TCMC6690
| Common Name | Tsugaric Acid A |
| IUPAC Name | (2R)-2-[(3S,5R,10S,13R,14R,17R)-3-acetyloxy-4,4,10,13,14-pentamethyl-2,3,5,6,7,11,12,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-17-yl]-6-methylhept-5-enoic acid |
| Canonical SMILES | CC(=CCC[C@H]([C@H]1CC[C@@]2([C@]1(C)CCC1=C2CC[C@@H]2[C@]1(C)CC[C@@H](C2(C)C)OC(=O)C)C)C(=O)[O-])C |
| Standard InCHI | InChI=1S/C32H50O4/c1-20(2)10-9-11-22(28(34)35)23-14-18-32(8)25-12-13-26-29(4,5)27(36-21(3)33)16-17-30(26,6)24(25)15-19-31(23,32)7/h10,22-23,26-27H,9,11-19H2,1-8H3,(H,34,35)/p-1/t22-,23-,26+,27+,30-,31-,32+/m1/s1 |
| Standard InCHIKey | FIWGZIBLJWZUEA-NFOHWCJDSA-M |
| External Identifiers | ChEMBL [CHEMBL225110]; PubChem [44422321]; |
| Reference of Component-Ingredient Pair | 17655889 |
Occurrence of the ingredient across TCM components
Ingredient ID: TCMC6576
Formula: C27H36O6
Ingredient ID: TCMC6576
| Common Name | Lucidenic Acid F |
| IUPAC Name | (4R)-4-[(5R,10S,13R,14R,17R)-4,4,10,13,14-pentamethyl-3,7,11,15-tetraoxo-2,5,6,12,16,17-hexahydro-1H-cyclopenta[a]phenanthren-17-yl]pentanoic acid |
| Canonical SMILES | [O-]C(=O)CC[C@H]([C@H]1CC(=O)[C@@]2([C@]1(C)CC(=O)C1=C2C(=O)C[C@@H]2[C@]1(C)CCC(=O)C2(C)C)C)C |
| Standard InCHI | InChI=1S/C27H36O6/c1-14(7-8-21(32)33)15-11-20(31)27(6)23-16(28)12-18-24(2,3)19(30)9-10-25(18,4)22(23)17(29)13-26(15,27)5/h14-15,18H,7-13H2,1-6H3,(H,32,33)/p-1/t14-,15-,18+,25+,26-,27+/m1/s1 |
| Standard InCHIKey | GLUXWRYPXYKXKV-FRFVZZROSA-M |
| External Identifiers | ChEMBL [N/A]; PubChem [23247893]; |
| Reference of Component-Ingredient Pair | 21453678 |
Occurrence of the ingredient across TCM components
Ingredient ID: TCMC6575
Formula: C29H40O8
Ingredient ID: TCMC6575
| Common Name | Lucidenic Acid E2 |
| IUPAC Name | (4R)-4-[(3S,5R,10S,12S,13R,14R,17R)-12-acetyloxy-3-hydroxy-4,4,10,13,14-pentamethyl-7,11,15-trioxo-1,2,3,5,6,12,16,17-octahydrocyclopenta[a]phenanthren-17-yl]pentanoic acid |
| Canonical SMILES | CC(=O)O[C@@H]1C(=O)C2=C([C@]3([C@@]1(C)[C@H](CC3=O)[C@@H](CCC(=O)[O-])C)C)C(=O)C[C@@H]1[C@]2(C)CC[C@@H](C1(C)C)O |
| Standard InCHI | InChI=1S/C29H40O8/c1-14(8-9-21(34)35)16-12-20(33)29(7)22-17(31)13-18-26(3,4)19(32)10-11-27(18,5)23(22)24(36)25(28(16,29)6)37-15(2)30/h14,16,18-19,25,32H,8-13H2,1-7H3,(H,34,35)/p-1/t14-,16-,18+,19+,25-,27+,28+,29+/m1/s1 |
| Standard InCHIKey | ASPCIAWQVXVATP-VWXYMJEFSA-M |
| External Identifiers | ChEMBL [CHEMBL468250]; PubChem [23247892]; |
| Reference of Component-Ingredient Pair | 29090550 |
Occurrence of the ingredient across TCM components
Ingredient ID: TCMC6506
Formula: C28H40O6
Ingredient ID: TCMC6506
| Common Name | Methyl Lucidenate A |
| IUPAC Name | methyl (4R)-4-[(5R,7S,10S,13R,14R,17R)-7-hydroxy-4,4,10,13,14-pentamethyl-3,11,15-trioxo-1,2,5,6,7,12,16,17-octahydrocyclopenta[a]phenanthren-17-yl]pentanoate |
| Canonical SMILES | COC(=O)CC[C@H]([C@H]1CC(=O)[C@@]2([C@]1(C)CC(=O)C1=C2[C@@H](O)C[C@@H]2[C@]1(C)CCC(=O)C2(C)C)C)C |
| Standard InCHI | InChI=1S/C28H40O6/c1-15(8-9-22(33)34-7)16-12-21(32)28(6)24-17(29)13-19-25(2,3)20(31)10-11-26(19,4)23(24)18(30)14-27(16,28)5/h15-17,19,29H,8-14H2,1-7H3/t15-,16-,17+,19+,26+,27-,28+/m1/s1 |
| Standard InCHIKey | AVSUQFFHBSVWRI-NZXXOGSYSA-N |
| External Identifiers | ChEMBL [CHEMBL460970]; PubChem [21636089]; |
| Reference of Component-Ingredient Pair | N/A |
Occurrence of the ingredient across TCM components
Ingredient ID: TCMC6486
Formula: C28H38O6
Ingredient ID: TCMC6486
| Common Name | Methyl Lucidenate F |
| IUPAC Name | methyl (4R)-4-[(5R,10S,13R,14R,17R)-4,4,10,13,14-pentamethyl-3,7,11,15-tetraoxo-2,5,6,12,16,17-hexahydro-1H-cyclopenta[a]phenanthren-17-yl]pentanoate |
| Canonical SMILES | COC(=O)CC[C@H]([C@H]1CC(=O)[C@@]2([C@]1(C)CC(=O)C1=C2C(=O)C[C@@H]2[C@]1(C)CCC(=O)C2(C)C)C)C |
| Standard InCHI | InChI=1S/C28H38O6/c1-15(8-9-22(33)34-7)16-12-21(32)28(6)24-17(29)13-19-25(2,3)20(31)10-11-26(19,4)23(24)18(30)14-27(16,28)5/h15-16,19H,8-14H2,1-7H3/t15-,16-,19+,26+,27-,28+/m1/s1 |
| Standard InCHIKey | ZXYSCJISDAKHPX-IRFVERNZSA-N |
| External Identifiers | ChEMBL [CHEMBL462240]; PubChem [21633085]; |
| Reference of Component-Ingredient Pair | 11520245 |
Occurrence of the ingredient across TCM components
Ingredient ID: TCMC6485
Formula: C30H42O8
Ingredient ID: TCMC6485
| Common Name | Methyl Lucidenate E2 |
| IUPAC Name | methyl (4R)-4-[(3S,5R,10S,12S,13R,14R,17R)-12-acetyloxy-3-hydroxy-4,4,10,13,14-pentamethyl-7,11,15-trioxo-1,2,3,5,6,12,16,17-octahydrocyclopenta[a]phenanthren-17-yl]pentanoate |
| Canonical SMILES | COC(=O)CC[C@H]([C@H]1CC(=O)[C@@]2([C@]1(C)[C@H](OC(=O)C)C(=O)C1=C2C(=O)C[C@@H]2[C@]1(C)CC[C@@H](C2(C)C)O)C)C |
| Standard InCHI | InChI=1S/C30H42O8/c1-15(9-10-22(35)37-8)17-13-21(34)30(7)23-18(32)14-19-27(3,4)20(33)11-12-28(19,5)24(23)25(36)26(29(17,30)6)38-16(2)31/h15,17,19-20,26,33H,9-14H2,1-8H3/t15-,17-,19+,20+,26-,28+,29+,30+/m1/s1 |
| Standard InCHIKey | GWCYTRLXOGOLBZ-JWPMPFJRSA-N |
| External Identifiers | ChEMBL [CHEMBL512830]; PubChem [21633084]; |
| Reference of Component-Ingredient Pair | N/A |
Occurrence of the ingredient across TCM components
Ingredient ID: TCMC6484
Formula: C30H40O8
Ingredient ID: TCMC6484
| Common Name | Methyl Lucidenate D2 |
| IUPAC Name | methyl (4R)-4-[(5R,10S,12S,13R,14R,17R)-12-acetyloxy-4,4,10,13,14-pentamethyl-3,7,11,15-tetraoxo-2,5,6,12,16,17-hexahydro-1H-cyclopenta[a]phenanthren-17-yl]pentanoate |
| Canonical SMILES | COC(=O)CC[C@H]([C@H]1CC(=O)[C@@]2([C@]1(C)[C@H](OC(=O)C)C(=O)C1=C2C(=O)C[C@@H]2[C@]1(C)CCC(=O)C2(C)C)C)C |
| Standard InCHI | InChI=1S/C30H40O8/c1-15(9-10-22(35)37-8)17-13-21(34)30(7)23-18(32)14-19-27(3,4)20(33)11-12-28(19,5)24(23)25(36)26(29(17,30)6)38-16(2)31/h15,17,19,26H,9-14H2,1-8H3/t15-,17-,19+,26-,28+,29+,30+/m1/s1 |
| Standard InCHIKey | JOFJXWXVPFAZPK-XULWGOJYSA-N |
| External Identifiers | ChEMBL [CHEMBL464338]; PubChem [21633083]; |
| Reference of Component-Ingredient Pair | N/A |
Occurrence of the ingredient across TCM components
Ingredient ID: TCMC6419
Formula: C27H40O6
Ingredient ID: TCMC6419
| Common Name | Lucidenic Acid Lw1 |
| IUPAC Name | (4R)-4-[(3S,5R,7S,10S,13R,14R,17R)-3,7-dihydroxy-4,4,10,13,14-pentamethyl-11,15-dioxo-2,3,5,6,7,12,16,17-octahydro-1H-cyclopenta[a]phenanthren-17-yl]pentanoic acid |
| Canonical SMILES | [O-]C(=O)CC[C@H]([C@H]1CC(=O)[C@@]2([C@]1(C)CC(=O)C1=C2[C@@H](O)C[C@@H]2[C@]1(C)CC[C@@H](C2(C)C)O)C)C |
| Standard InCHI | InChI=1S/C27H40O6/c1-14(7-8-21(32)33)15-11-20(31)27(6)23-16(28)12-18-24(2,3)19(30)9-10-25(18,4)22(23)17(29)13-26(15,27)5/h14-16,18-19,28,30H,7-13H2,1-6H3,(H,32,33)/p-1/t14-,15-,16+,18+,19+,25+,26-,27+/m1/s1 |
| Standard InCHIKey | YBGBNHHXOJXFNM-UQCMLMITSA-M |
| External Identifiers | ChEMBL [CHEMBL465487]; PubChem [21592283]; |
| Reference of Component-Ingredient Pair | 11520245 |
Occurrence of the ingredient across TCM components
Ingredient ID: TCMC6348
Formula: C27H40O7
Ingredient ID: TCMC6348
| Common Name | Lucidenic Acid C |
| IUPAC Name | (4R)-4-[(3S,5R,7S,10S,12S,13R,14R,17R)-3,7,12-trihydroxy-4,4,10,13,14-pentamethyl-11,15-dioxo-2,3,5,6,7,12,16,17-octahydro-1H-cyclopenta[a]phenanthren-17-yl]pentanoic acid |
| Canonical SMILES | [O-]C(=O)CC[C@H]([C@H]1CC(=O)[C@@]2([C@]1(C)[C@H](O)C(=O)C1=C2[C@@H](O)C[C@@H]2[C@]1(C)CC[C@@H](C2(C)C)O)C)C |
| Standard InCHI | InChI=1S/C27H40O7/c1-13(7-8-19(31)32)14-11-18(30)27(6)20-15(28)12-16-24(2,3)17(29)9-10-25(16,4)21(20)22(33)23(34)26(14,27)5/h13-17,23,28-29,34H,7-12H2,1-6H3,(H,31,32)/p-1/t13-,14-,15+,16+,17+,23-,25+,26+,27+/m1/s1 |
| Standard InCHIKey | XIMQDJNNBMWDIH-YAQOJFSYSA-M |
| External Identifiers | ChEMBL [CHEMBL465369]; PubChem [20056103]; |
| Reference of Component-Ingredient Pair | 17979098 |
Occurrence of the ingredient across TCM components
Ingredient ID: TCMC632
Formula: C10H13N5O4
Ingredient ID: TCMC632
| Common Name | Adenosine |
| IUPAC Name | (2R,3R,4S,5R)-2-(6-aminopurin-9-yl)-5-(hydroxymethyl)oxolane-3,4-diol |
| Canonical SMILES | OC[C@H]1O[C@H]([C@@H]([C@@H]1O)O)n1cnc2c1ncnc2N |
| Standard InCHI | InChI=1S/C10H13N5O4/c11-8-5-9(13-2-12-8)15(3-14-5)10-7(18)6(17)4(1-16)19-10/h2-4,6-7,10,16-18H,1H2,(H2,11,12,13)/t4-,6-,7-,10-/m1/s1 |
| Standard InCHIKey | OIRDTQYFTABQOQ-KQYNXXCUSA-N |
| External Identifiers | ChEMBL [CHEMBL477]; PubChem [60961]; |
| Reference of Component-Ingredient Pair | 29968805 |
Occurrence of the ingredient across TCM components
| Component ID | Latin Name | Pinyin Name | Chinese Name |
|---|---|---|---|
| TCMH1008 | Pogostemon cablin | Huo Xiang | 藿香 |
| TCMH1009 | Pogostemon cablin | Huo Xiang Ye | 藿香叶 |
| TCMH1127 | Lonicera japonica | Jin Yin Hua | 金银花 |
| TCMH1128 | Lonicera japonica | Jin Yin Hua Ti Qu Ye | 金银花提取液 |
| TCMH1155 | Allium tuberosum | Jiu Cai | 韭菜 |
| TCMH1176 | Allium tuberosum | Jiu Zi | 韭子 |
| TCMH1177 | Ilex cornuta | Ju Gu Ye | 枸骨叶 |
| TCMH1197 | Selaginella tamariscina | Juan Bai | 卷柏 |
| TCMH1223 | Tussilago farfara | Kuan Dong Hua | 款冬花 |
| TCMH126 | Isatis indigotica | Ban Lan | 板蓝 |
Showing 1 to 10 of 96 entries
Ingredient ID: TCMC631
Formula: C5H5N5
Ingredient ID: TCMC631
| Common Name | Adenine |
| IUPAC Name | 7H-purin-6-amine |
| Canonical SMILES | Nc1nc[nH]c2c1ncn2 |
| Standard InCHI | InChI=1S/C5H5N5/c6-4-3-5(9-1-7-3)10-2-8-4/h1-2H,(H3,6,7,8,9,10) |
| Standard InCHIKey | GFFGJBXGBJISGV-UHFFFAOYSA-N |
| External Identifiers | ChEMBL [CHEMBL226345]; PubChem [190]; |
| Reference of Component-Ingredient Pair | 24211769 |
Occurrence of the ingredient across TCM components
| Component ID | Latin Name | Pinyin Name | Chinese Name |
|---|---|---|---|
| TCMH1102 | Tinospora capillipes | Jin Guo Lan | 金果榄 |
| TCMH1155 | Allium tuberosum | Jiu Cai | 韭菜 |
| TCMH1176 | Allium tuberosum | Jiu Zi | 韭子 |
| TCMH1181 | Chrysanthemum morifolium | Ju Hua | 菊花 |
| TCMH1223 | Tussilago farfara | Kuan Dong Hua | 款冬花 |
| TCMH1275 | Nelumbo nucifera | Lian Zi | 莲子 |
| TCMH1276 | Nelumbo nucifera | Lian Zi Xin | 莲子心 |
| TCMH1296 | Ganoderma lucidum | Ling Zhi Jin Gao | 灵芝浸膏 |
| TCMH1299 | Ganoderma lucidum | Ling Zhi(1) | 灵芝 |
| TCMH130 | Pinellia ternata | Ban Xia | 半夏 |
Showing 1 to 10 of 59 entries
Ingredient ID: TCMC6243
Formula: C30H42O8
Ingredient ID: TCMC6243
| Common Name | Ganoderic Acid Θ |
| IUPAC Name | (E,4S,6R)-6-[(3S,5R,10S,12S,13R,14R,17R)-3,12-dihydroxy-4,4,10,13,14-pentamethyl-7,11,15-trioxo-1,2,3,5,6,12,16,17-octahydrocyclopenta[a]phenanthren-17-yl]-4-hydroxy-2-methylhept-2-enoic acid |
| Canonical SMILES | O[C@H](/C=C(/C(=O)[O-])C)C[C@H]([C@H]1CC(=O)[C@@]2([C@]1(C)[C@H](O)C(=O)C1=C2C(=O)C[C@@H]2[C@]1(C)CC[C@@H](C2(C)C)O)C)C |
| Standard InCHI | InChI=1S/C30H42O8/c1-14(10-16(31)11-15(2)26(37)38)17-12-21(34)30(7)22-18(32)13-19-27(3,4)20(33)8-9-28(19,5)23(22)24(35)25(36)29(17,30)6/h11,14,16-17,19-20,25,31,33,36H,8-10,12-13H2,1-7H3,(H,37,38)/p-1/b15-11+/t14-,16+,17-,19+,20+,25-,28+,29+,30+/m1/s1 |
| Standard InCHIKey | FKJPUWHTFMQAOG-KXSJZLMNSA-M |
| External Identifiers | ChEMBL [CHEMBL2205005]; PubChem [15427811]; |
| Reference of Component-Ingredient Pair | 10923835 |
Occurrence of the ingredient across TCM components
Ingredient ID: TCMC6242
Formula: C30H44O7
Ingredient ID: TCMC6242
| Common Name | Ganoderic Acid Ε |
| IUPAC Name | (E,4S,6R)-6-[(3S,5R,7S,10S,13R,14R,17R)-3,7-dihydroxy-4,4,10,13,14-pentamethyl-11,15-dioxo-2,3,5,6,7,12,16,17-octahydro-1H-cyclopenta[a]phenanthren-17-yl]-4-hydroxy-2-methylhept-2-enoic acid |
| Canonical SMILES | O[C@H](/C=C(/C(=O)[O-])C)C[C@H]([C@H]1CC(=O)[C@@]2([C@]1(C)CC(=O)C1=C2[C@@H](O)C[C@@H]2[C@]1(C)CC[C@@H](C2(C)C)O)C)C |
| Standard InCHI | InChI=1S/C30H44O7/c1-15(10-17(31)11-16(2)26(36)37)18-12-23(35)30(7)25-19(32)13-21-27(3,4)22(34)8-9-28(21,5)24(25)20(33)14-29(18,30)6/h11,15,17-19,21-22,31-32,34H,8-10,12-14H2,1-7H3,(H,36,37)/p-1/b16-11+/t15-,17+,18-,19+,21+,22+,28+,29-,30+/m1/s1 |
| Standard InCHIKey | MIWGXXQCEDNROQ-UZOYOLKESA-M |
| External Identifiers | ChEMBL [N/A]; PubChem [15427810]; |
| Reference of Component-Ingredient Pair | 12914332 |
Occurrence of the ingredient across TCM components
Ingredient ID: TCMC6241
Formula: C30H44O7
Ingredient ID: TCMC6241
| Common Name | Ganoderic Acid Δ |
| IUPAC Name | (E,4S,6R)-6-[(5R,7R,10S,13R,14R,15S,17R)-7,15-dihydroxy-4,4,10,13,14-pentamethyl-3,11-dioxo-2,5,6,7,12,15,16,17-octahydro-1H-cyclopenta[a]phenanthren-17-yl]-4-hydroxy-2-methylhept-2-enoic acid |
| Canonical SMILES | O[C@H](/C=C(/C(=O)[O-])C)C[C@H]([C@H]1C[C@@H]([C@@]2([C@]1(C)CC(=O)C1=C2[C@H](O)C[C@@H]2[C@]1(C)CCC(=O)C2(C)C)C)O)C |
| Standard InCHI | InChI=1S/C30H44O7/c1-15(10-17(31)11-16(2)26(36)37)18-12-23(35)30(7)25-19(32)13-21-27(3,4)22(34)8-9-28(21,5)24(25)20(33)14-29(18,30)6/h11,15,17-19,21,23,31-32,35H,8-10,12-14H2,1-7H3,(H,36,37)/p-1/b16-11+/t15-,17+,18-,19-,21+,23+,28+,29-,30+/m1/s1 |
| Standard InCHIKey | JTBDTJVGIGEPFI-IZGMBVGMSA-M |
| External Identifiers | ChEMBL [N/A]; PubChem [15427809]; |
| Reference of Component-Ingredient Pair | 10923835 |
Occurrence of the ingredient across TCM components
Ingredient ID: TCMC6240
Formula: C30H44O7
Ingredient ID: TCMC6240
| Common Name | Ganoderic Acid Γ |
| IUPAC Name | (E,4S,6R)-6-[(5R,7S,10S,13R,14R,15S,17R)-7,15-dihydroxy-4,4,10,13,14-pentamethyl-3,11-dioxo-2,5,6,7,12,15,16,17-octahydro-1H-cyclopenta[a]phenanthren-17-yl]-4-hydroxy-2-methylhept-2-enoic acid |
| Canonical SMILES | O[C@H](/C=C(/C(=O)[O-])C)C[C@H]([C@H]1C[C@@H]([C@@]2([C@]1(C)CC(=O)C1=C2[C@@H](O)C[C@@H]2[C@]1(C)CCC(=O)C2(C)C)C)O)C |
| Standard InCHI | InChI=1S/C30H44O7/c1-15(10-17(31)11-16(2)26(36)37)18-12-23(35)30(7)25-19(32)13-21-27(3,4)22(34)8-9-28(21,5)24(25)20(33)14-29(18,30)6/h11,15,17-19,21,23,31-32,35H,8-10,12-14H2,1-7H3,(H,36,37)/p-1/b16-11+/t15-,17+,18-,19+,21+,23+,28+,29-,30+/m1/s1 |
| Standard InCHIKey | JTBDTJVGIGEPFI-OBCYCKOUSA-M |
| External Identifiers | ChEMBL [N/A]; PubChem [15427808]; |
| Reference of Component-Ingredient Pair | 10923835 |
Occurrence of the ingredient across TCM components
Ingredient ID: TCMC6099
Formula: C27H40O7
Ingredient ID: TCMC6099
| Common Name | Lucidenic Acid H |
| IUPAC Name | (4R)-4-[(3S,4R,5R,7S,10S,13R,14R,17R)-3,7-dihydroxy-4-(hydroxymethyl)-4,10,13,14-tetramethyl-11,15-dioxo-2,3,5,6,7,12,16,17-octahydro-1H-cyclopenta[a]phenanthren-17-yl]pentanoic acid |
| Canonical SMILES | OC[C@]1(C)[C@@H](O)CC[C@]2([C@H]1C[C@H](O)C1=C2C(=O)C[C@]2([C@@]1(C)C(=O)C[C@@H]2[C@@H](CCC(=O)[O-])C)C)C |
| Standard InCHI | InChI=1S/C27H40O7/c1-14(6-7-21(33)34)15-10-20(32)27(5)23-16(29)11-18-24(2,9-8-19(31)25(18,3)13-28)22(23)17(30)12-26(15,27)4/h14-16,18-19,28-29,31H,6-13H2,1-5H3,(H,33,34)/p-1/t14-,15-,16+,18-,19+,24+,25+,26-,27+/m1/s1 |
| Standard InCHIKey | FWZRMYARQHUFQY-XZMJKANGSA-M |
| External Identifiers | ChEMBL [N/A]; PubChem [14109388]; |
| Reference of Component-Ingredient Pair | N/A |
Occurrence of the ingredient across TCM components
Ingredient ID: TCMC6098
Formula: C27H40O7
Ingredient ID: TCMC6098
| Common Name | Lucidenic Acid G |
| IUPAC Name | (4R)-4-[(4S,5R,7S,10S,13R,14R,15S,17R)-7,15-dihydroxy-4-(hydroxymethyl)-4,10,13,14-tetramethyl-3,11-dioxo-2,5,6,7,12,15,16,17-octahydro-1H-cyclopenta[a]phenanthren-17-yl]pentanoic acid |
| Canonical SMILES | OC[C@@]1(C)C(=O)CC[C@]2([C@H]1C[C@H](O)C1=C2C(=O)C[C@]2([C@@]1(C)[C@@H](O)C[C@@H]2[C@@H](CCC(=O)[O-])C)C)C |
| Standard InCHI | InChI=1S/C27H40O7/c1-14(6-7-21(33)34)15-10-20(32)27(5)23-16(29)11-18-24(2,9-8-19(31)25(18,3)13-28)22(23)17(30)12-26(15,27)4/h14-16,18,20,28-29,32H,6-13H2,1-5H3,(H,33,34)/p-1/t14-,15-,16+,18-,20+,24+,25-,26-,27+/m1/s1 |
| Standard InCHIKey | PWSMDKBWXADYJS-HPMFNFBQSA-M |
| External Identifiers | ChEMBL [N/A]; PubChem [14109386]; |
| Reference of Component-Ingredient Pair | N/A |
Occurrence of the ingredient across TCM components
Ingredient ID: TCMC6097
Formula: C27H38O6
Ingredient ID: TCMC6097
| Common Name | Lucidenic Acid A |
| IUPAC Name | (4R)-4-[(5R,7S,10S,13R,14R,17R)-7-hydroxy-4,4,10,13,14-pentamethyl-3,11,15-trioxo-1,2,5,6,7,12,16,17-octahydrocyclopenta[a]phenanthren-17-yl]pentanoic acid |
| Canonical SMILES | [O-]C(=O)CC[C@H]([C@H]1CC(=O)[C@@]2([C@]1(C)CC(=O)C1=C2[C@@H](O)C[C@@H]2[C@]1(C)CCC(=O)C2(C)C)C)C |
| Standard InCHI | InChI=1S/C27H38O6/c1-14(7-8-21(32)33)15-11-20(31)27(6)23-16(28)12-18-24(2,3)19(30)9-10-25(18,4)22(23)17(29)13-26(15,27)5/h14-16,18,28H,7-13H2,1-6H3,(H,32,33)/p-1/t14-,15-,16+,18+,25+,26-,27+/m1/s1 |
| Standard InCHIKey | INIPQDKLXQHEAJ-NCQSLMINSA-M |
| External Identifiers | ChEMBL [CHEMBL460969]; PubChem [14109375]; |
| Reference of Component-Ingredient Pair | 12579936 |
Occurrence of the ingredient across TCM components
Ingredient ID: TCMC60
Formula: C10H16O
Ingredient ID: TCMC60
| Common Name | (2E,4E)-Deca-2,4-Dienal |
| IUPAC Name | (2E,4E)-deca-2,4-dienal |
| Canonical SMILES | CCCCC/C=C/C=C/C=O |
| Standard InCHI | InChI=1S/C10H16O/c1-2-3-4-5-6-7-8-9-10-11/h6-10H,2-5H2,1H3/b7-6+,9-8+ |
| Standard InCHIKey | JZQKTMZYLHNFPL-BLHCBFLLSA-N |
| External Identifiers | ChEMBL [CHEMBL443949]; PubChem [5283349]; |
| Reference of Component-Ingredient Pair | 25622337 |
Occurrence of the ingredient across TCM components
| Component ID | Latin Name | Pinyin Name | Chinese Name |
|---|---|---|---|
| TCMH120 | Atractylodes macrocephala | Bai Zhu | 白术 |
| TCMH1215 | Sophora flavescens | Ku Shen | 苦参 |
| TCMH1264 | Litchi chinensis | Li Zhi He | 荔枝核 |
| TCMH1296 | Ganoderma lucidum | Ling Zhi Jin Gao | 灵芝浸膏 |
| TCMH1299 | Ganoderma lucidum | Ling Zhi(1) | 灵芝 |
| TCMH130 | Pinellia ternata | Ban Xia | 半夏 |
| TCMH131 | Pinellia ternata | Ban Xia Qu | 半夏曲 |
| 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 |
Showing 1 to 10 of 54 entries
Ingredient ID: TCMC5803
Formula: C30H42O7
Ingredient ID: TCMC5803
| Common Name | Ganode-8-En-Ric Acid Lm2 |
| IUPAC Name | (E,4S,6R)-4-hydroxy-6-[(5R,7S,10S,13R,14R,17R)-7-hydroxy-4,4,10,13,14-pentamethyl-3,11,15-trioxo-1,2,5,6,7,12,16,17-octahydrocyclopenta[a]phenanthren-17-yl]-2-methylhept-2-enoic acid |
| Canonical SMILES | O[C@H](/C=C(/C(=O)[O-])C)C[C@H]([C@H]1CC(=O)[C@@]2([C@]1(C)CC(=O)C1=C2[C@@H](O)C[C@@H]2[C@]1(C)CCC(=O)C2(C)C)C)C |
| Standard InCHI | InChI=1S/C30H42O7/c1-15(10-17(31)11-16(2)26(36)37)18-12-23(35)30(7)25-19(32)13-21-27(3,4)22(34)8-9-28(21,5)24(25)20(33)14-29(18,30)6/h11,15,17-19,21,31-32H,8-10,12-14H2,1-7H3,(H,36,37)/p-1/b16-11+/t15-,17+,18-,19+,21+,28+,29-,30+/m1/s1 |
| Standard InCHIKey | YVIVANDTNNUXRH-LEWHDHFNSA-M |
| External Identifiers | ChEMBL [CHEMBL2205008]; PubChem [11813266]; |
| Reference of Component-Ingredient Pair | 12914332 |
Occurrence of the ingredient across TCM components
Ingredient ID: TCMC5658
Formula: C28H42O6
Ingredient ID: TCMC5658
| Common Name | Methyl Lucidenate Q |
| IUPAC Name | methyl (4R)-4-[(5R,7S,10S,13R,14R,15S,17R)-7,15-dihydroxy-4,4,10,13,14-pentamethyl-3,11-dioxo-2,5,6,7,12,15,16,17-octahydro-1H-cyclopenta[a]phenanthren-17-yl]pentanoate |
| Canonical SMILES | COC(=O)CC[C@H]([C@H]1C[C@@H]([C@@]2([C@]1(C)CC(=O)C1=C2[C@@H](O)C[C@@H]2[C@]1(C)CCC(=O)C2(C)C)C)O)C |
| Standard InCHI | InChI=1S/C28H42O6/c1-15(8-9-22(33)34-7)16-12-21(32)28(6)24-17(29)13-19-25(2,3)20(31)10-11-26(19,4)23(24)18(30)14-27(16,28)5/h15-17,19,21,29,32H,8-14H2,1-7H3/t15-,16-,17+,19+,21+,26+,27-,28+/m1/s1 |
| Standard InCHIKey | KZVNZIIMDVYSNR-YSALMUDYSA-N |
| External Identifiers | ChEMBL [CHEMBL460968]; PubChem [11271456]; |
| Reference of Component-Ingredient Pair | N/A |
Occurrence of the ingredient across TCM components
Ingredient ID: TCMC5629
Formula: C30H44O8
Ingredient ID: TCMC5629
| Common Name | Methyl Lucidenate P |
| IUPAC Name | methyl (4R)-4-[(3S,5R,7S,10S,12S,13R,14R,17R)-12-acetyloxy-3,7-dihydroxy-4,4,10,13,14-pentamethyl-11,15-dioxo-2,3,5,6,7,12,16,17-octahydro-1H-cyclopenta[a]phenanthren-17-yl]pentanoate |
| Canonical SMILES | COC(=O)CC[C@H]([C@H]1CC(=O)[C@@]2([C@]1(C)[C@H](OC(=O)C)C(=O)C1=C2[C@@H](O)C[C@@H]2[C@]1(C)CC[C@@H](C2(C)C)O)C)C |
| Standard InCHI | InChI=1S/C30H44O8/c1-15(9-10-22(35)37-8)17-13-21(34)30(7)23-18(32)14-19-27(3,4)20(33)11-12-28(19,5)24(23)25(36)26(29(17,30)6)38-16(2)31/h15,17-20,26,32-33H,9-14H2,1-8H3/t15-,17-,18+,19+,20+,26-,28+,29+,30+/m1/s1 |
| Standard InCHIKey | PDTQBYSKJSRZCH-YQUZSDLJSA-N |
| External Identifiers | ChEMBL [CHEMBL511952]; PubChem [11203394]; |
| Reference of Component-Ingredient Pair | 14695801 |
Occurrence of the ingredient across TCM components
Ingredient ID: TCMC5627
Formula: C29H42O8
Ingredient ID: TCMC5627
| Common Name | Lucidenic Acid P |
| IUPAC Name | (4R)-4-[(3S,5R,7S,10S,12S,13R,14R,17R)-12-acetyloxy-3,7-dihydroxy-4,4,10,13,14-pentamethyl-11,15-dioxo-2,3,5,6,7,12,16,17-octahydro-1H-cyclopenta[a]phenanthren-17-yl]pentanoic acid |
| Canonical SMILES | CC(=O)O[C@@H]1C(=O)C2=C([C@]3([C@@]1(C)[C@H](CC3=O)[C@@H](CCC(=O)[O-])C)C)[C@@H](O)C[C@@H]1[C@]2(C)CC[C@@H](C1(C)C)O |
| Standard InCHI | InChI=1S/C29H42O8/c1-14(8-9-21(34)35)16-12-20(33)29(7)22-17(31)13-18-26(3,4)19(32)10-11-27(18,5)23(22)24(36)25(28(16,29)6)37-15(2)30/h14,16-19,25,31-32H,8-13H2,1-7H3,(H,34,35)/p-1/t14-,16-,17+,18+,19+,25-,27+,28+,29+/m1/s1 |
| Standard InCHIKey | QPEKELRREXLZJP-WGULIUFBSA-M |
| External Identifiers | ChEMBL [CHEMBL469283]; PubChem [11203160]; |
| Reference of Component-Ingredient Pair | 14695801 |
Occurrence of the ingredient across TCM components
Ingredient ID: TCMC5575
Formula: C30H46O2
Ingredient ID: TCMC5575
| Common Name | Lucialdehyde A |
| IUPAC Name | (E,6R)-6-[(3S,5R,10S,13R,14R,17R)-3-hydroxy-4,4,10,13,14-pentamethyl-2,3,5,6,12,15,16,17-octahydro-1H-cyclopenta[a]phenanthren-17-yl]-2-methylhept-2-enal |
| Canonical SMILES | O=C/C(=C/CC[C@H]([C@H]1CC[C@@]2([C@]1(C)CC=C1C2=CC[C@@H]2[C@]1(C)CC[C@@H](C2(C)C)O)C)C)/C |
| Standard InCHI | InChI=1S/C30H46O2/c1-20(19-31)9-8-10-21(2)22-13-17-30(7)24-11-12-25-27(3,4)26(32)15-16-28(25,5)23(24)14-18-29(22,30)6/h9,11,14,19,21-22,25-26,32H,8,10,12-13,15-18H2,1-7H3/b20-9+/t21-,22-,25+,26+,28-,29-,30+/m1/s1 |
| Standard InCHIKey | RMOSHOXMAZYZOK-AZIDVCJLSA-N |
| External Identifiers | ChEMBL [N/A]; PubChem [11048424]; |
| Reference of Component-Ingredient Pair | 12045343 |
Occurrence of the ingredient across TCM components
Ingredient ID: TCMC5454
Formula: C30H42O7
Ingredient ID: TCMC5454
| Common Name | Ganoderic Acid Ζ |
| IUPAC Name | (E,4S,6R)-4-hydroxy-6-[(3S,5R,10S,13R,14R,17R)-3-hydroxy-4,4,10,13,14-pentamethyl-7,11,15-trioxo-1,2,3,5,6,12,16,17-octahydrocyclopenta[a]phenanthren-17-yl]-2-methylhept-2-enoic acid |
| Canonical SMILES | O[C@H](/C=C(/C(=O)[O-])C)C[C@H]([C@H]1CC(=O)[C@@]2([C@]1(C)CC(=O)C1=C2C(=O)C[C@@H]2[C@]1(C)CC[C@@H](C2(C)C)O)C)C |
| Standard InCHI | InChI=1S/C30H42O7/c1-15(10-17(31)11-16(2)26(36)37)18-12-23(35)30(7)25-19(32)13-21-27(3,4)22(34)8-9-28(21,5)24(25)20(33)14-29(18,30)6/h11,15,17-18,21-22,31,34H,8-10,12-14H2,1-7H3,(H,36,37)/p-1/b16-11+/t15-,17+,18-,21+,22+,28+,29-,30+/m1/s1 |
| Standard InCHIKey | PRJBNEAPLDQWLQ-AVCLMWMBSA-M |
| External Identifiers | ChEMBL [N/A]; PubChem [10601916]; |
| Reference of Component-Ingredient Pair | 28875673 |
Occurrence of the ingredient across TCM components
Ingredient ID: TCMC5434
Formula: C30H42O7
Ingredient ID: TCMC5434
| Common Name | Ganode-8-En-Ric Acid C1 |
| IUPAC Name | (2S,6R)-6-[(5R,7S,10S,13R,14R,17R)-7-hydroxy-4,4,10,13,14-pentamethyl-3,11,15-trioxo-1,2,5,6,7,12,16,17-octahydrocyclopenta[a]phenanthren-17-yl]-2-methyl-4-oxoheptanoic acid |
| Canonical SMILES | O=C(C[C@@H](C(=O)[O-])C)C[C@H]([C@H]1CC(=O)[C@@]2([C@]1(C)CC(=O)C1=C2[C@@H](O)C[C@@H]2[C@]1(C)CCC(=O)C2(C)C)C)C |
| Standard InCHI | InChI=1S/C30H42O7/c1-15(10-17(31)11-16(2)26(36)37)18-12-23(35)30(7)25-19(32)13-21-27(3,4)22(34)8-9-28(21,5)24(25)20(33)14-29(18,30)6/h15-16,18-19,21,32H,8-14H2,1-7H3,(H,36,37)/p-1/t15-,16+,18-,19+,21+,28+,29-,30+/m1/s1 |
| Standard InCHIKey | YTVGSCZIHGRVAV-YQKBFJOXSA-M |
| External Identifiers | ChEMBL [N/A]; PubChem [10481601]; |
| Reference of Component-Ingredient Pair | N/A |
Occurrence of the ingredient across TCM components
Ingredient ID: TCMC5407
Formula: C32H46O5
Ingredient ID: TCMC5407
| Common Name | Ganoderic Acid T-Q |
| IUPAC Name | (E,6R)-6-[(5R,10S,13R,14R,15S,17R)-15-acetyloxy-4,4,10,13,14-pentamethyl-3-oxo-1,2,5,6,12,15,16,17-octahydrocyclopenta[a]phenanthren-17-yl]-2-methylhept-2-enoic acid |
| Canonical SMILES | CC(=O)O[C@H]1C[C@@H]([C@@]2([C@]1(C)C1=CC[C@@H]3[C@](C1=CC2)(C)CCC(=O)C3(C)C)C)[C@@H](CC/C=C(/C(=O)[O-])C)C |
| Standard InCHI | InChI=1S/C32H46O5/c1-19(10-9-11-20(2)28(35)36)24-18-27(37-21(3)33)32(8)23-12-13-25-29(4,5)26(34)15-16-30(25,6)22(23)14-17-31(24,32)7/h11-12,14,19,24-25,27H,9-10,13,15-18H2,1-8H3,(H,35,36)/p-1/b20-11+/t19-,24-,25+,27+,30-,31-,32-/m1/s1 |
| Standard InCHIKey | JVABUELIHJXLKP-JBOPJBCTSA-M |
| External Identifiers | ChEMBL [N/A]; PubChem [10436380]; |
| Reference of Component-Ingredient Pair | 26307417 |
Occurrence of the ingredient across TCM components
Ingredient ID: TCMC5372
Formula: C30H46O3
Ingredient ID: TCMC5372
| Common Name | Lucialdehyde C |
| IUPAC Name | (E,6R)-6-[(3S,5R,10S,13R,14R,17R)-3-hydroxy-4,4,10,13,14-pentamethyl-7-oxo-1,2,3,5,6,11,12,15,16,17-decahydrocyclopenta[a]phenanthren-17-yl]-2-methylhept-2-enal |
| Canonical SMILES | O=C/C(=C/CC[C@H]([C@H]1CC[C@@]2([C@]1(C)CCC1=C2C(=O)C[C@@H]2[C@]1(C)CC[C@@H](C2(C)C)O)C)C)/C |
| Standard InCHI | InChI=1S/C30H46O3/c1-19(18-31)9-8-10-20(2)21-11-16-30(7)26-22(12-15-29(21,30)6)28(5)14-13-25(33)27(3,4)24(28)17-23(26)32/h9,18,20-21,24-25,33H,8,10-17H2,1-7H3/b19-9+/t20-,21-,24+,25+,28-,29-,30+/m1/s1 |
| Standard InCHIKey | PIOYBULRRJNPSG-GPEQXWBKSA-N |
| External Identifiers | ChEMBL [N/A]; PubChem [10366713]; |
| Reference of Component-Ingredient Pair | 12045343 |
Occurrence of the ingredient across TCM components
Ingredient ID: TCMC5323
Formula: C30H44O6
Ingredient ID: TCMC5323
| Common Name | Ganoderic Acid Β |
| IUPAC Name | (E,6R)-6-[(3S,5R,7S,10S,13R,14R,17R)-3,7-dihydroxy-4,4,10,13,14-pentamethyl-11,15-dioxo-2,3,5,6,7,12,16,17-octahydro-1H-cyclopenta[a]phenanthren-17-yl]-2-methylhept-2-enoic acid |
| Canonical SMILES | C[C@@H]([C@H]1CC(=O)[C@@]2([C@]1(C)CC(=O)C1=C2[C@@H](O)C[C@@H]2[C@]1(C)CC[C@@H](C2(C)C)O)C)CC/C=C(/C(=O)[O-])C |
| Standard InCHI | InChI=1S/C30H44O6/c1-16(9-8-10-17(2)26(35)36)18-13-23(34)30(7)25-19(31)14-21-27(3,4)22(33)11-12-28(21,5)24(25)20(32)15-29(18,30)6/h10,16,18-19,21-22,31,33H,8-9,11-15H2,1-7H3,(H,35,36)/p-1/b17-10+/t16-,18-,19+,21+,22+,28+,29-,30+/m1/s1 |
| Standard InCHIKey | NJZMSAAKSXZIEC-UQOIKQOMSA-M |
| External Identifiers | ChEMBL [CHEMBL474065]; PubChem [10097521]; |
| Reference of Component-Ingredient Pair | N/A |
Occurrence of the ingredient across TCM components
Ingredient ID: TCMC514
Formula: C10H13N5O3
Ingredient ID: TCMC514
| Common Name | 5-(6-Aminopurin-9-Yl)-2-(Hydroxymethyl)Oxolan-3-Ol |
| IUPAC Name | 5-(6-aminopurin-9-yl)-2-(hydroxymethyl)oxolan-3-ol |
| Canonical SMILES | OCC1OC(CC1O)n1cnc2c1ncnc2N |
| Standard InCHI | InChI=1S/C10H13N5O3/c11-9-8-10(13-3-12-9)15(4-14-8)7-1-5(17)6(2-16)18-7/h3-7,16-17H,1-2H2,(H2,11,12,13) |
| Standard InCHIKey | OLXZPDWKRNYJJZ-UHFFFAOYSA-N |
| External Identifiers | ChEMBL [CHEMBL416340]; PubChem [636]; |
| Reference of Component-Ingredient Pair | N/A |
Occurrence of the ingredient across TCM components
Ingredient ID: TCMC496
Formula: C6H6O4S
Ingredient ID: TCMC496
| Common Name | 4-Hydroxybenzenesulfonic Acid |
| IUPAC Name | 4-hydroxybenzenesulfonic acid |
| Canonical SMILES | Oc1ccc(cc1)S(=O)(=O)O |
| Standard InCHI | InChI=1S/C6H6O4S/c7-5-1-3-6(4-2-5)11(8,9)10/h1-4,7H,(H,8,9,10) |
| Standard InCHIKey | FEPBITJSIHRMRT-UHFFFAOYSA-N |
| External Identifiers | ChEMBL [CHEMBL1398657]; PubChem [4765]; |
| Reference of Component-Ingredient Pair | N/A |
Occurrence of the ingredient across TCM components
Ingredient ID: TCMC4577
Formula: C34H50O6
Ingredient ID: TCMC4577
| Common Name | Ganodermic Acid S |
| IUPAC Name | (Z,6R)-6-[(3S,5R,10S,13R,14R,15S,17R)-3,15-diacetyloxy-4,4,10,13,14-pentamethyl-2,3,5,6,12,15,16,17-octahydro-1H-cyclopenta[a]phenanthren-17-yl]-2-methylhept-2-enoic acid |
| Canonical SMILES | CC(=O)O[C@H]1C[C@@H]([C@@]2([C@]1(C)C1=CC[C@@H]3[C@](C1=CC2)(C)CC[C@@H](C3(C)C)OC(=O)C)C)[C@@H](CC/C=C(C(=O)[O-])/C)C |
| Standard InCHI | InChI=1S/C34H50O6/c1-20(11-10-12-21(2)30(37)38)26-19-29(40-23(4)36)34(9)25-13-14-27-31(5,6)28(39-22(3)35)16-17-32(27,7)24(25)15-18-33(26,34)8/h12-13,15,20,26-29H,10-11,14,16-19H2,1-9H3,(H,37,38)/p-1/b21-12-/t20-,26-,27+,28+,29+,32-,33-,34-/m1/s1 |
| Standard InCHIKey | OTUZGGSAOMCYNC-NMGRQNFYSA-M |
| External Identifiers | ChEMBL [N/A]; PubChem [5317518]; |
| Reference of Component-Ingredient Pair | N/A |
Occurrence of the ingredient across TCM components
Ingredient ID: TCMC4576
Formula: C34H50O6
Ingredient ID: TCMC4576
| Common Name | Ganodermic Acid R |
| IUPAC Name | (Z,6R)-6-[(3R,5R,10S,13R,14R,15S,17R)-3,15-diacetyloxy-4,4,10,13,14-pentamethyl-2,3,5,6,12,15,16,17-octahydro-1H-cyclopenta[a]phenanthren-17-yl]-2-methylhept-2-enoic acid |
| Canonical SMILES | CC(=O)O[C@H]1C[C@@H]([C@@]2([C@]1(C)C1=CC[C@@H]3[C@](C1=CC2)(C)CC[C@H](C3(C)C)OC(=O)C)C)[C@@H](CC/C=C(C(=O)[O-])/C)C |
| Standard InCHI | InChI=1S/C34H50O6/c1-20(11-10-12-21(2)30(37)38)26-19-29(40-23(4)36)34(9)25-13-14-27-31(5,6)28(39-22(3)35)16-17-32(27,7)24(25)15-18-33(26,34)8/h12-13,15,20,26-29H,10-11,14,16-19H2,1-9H3,(H,37,38)/p-1/b21-12-/t20-,26-,27+,28-,29+,32-,33-,34-/m1/s1 |
| Standard InCHIKey | OTUZGGSAOMCYNC-WQRGJCNTSA-M |
| External Identifiers | ChEMBL [N/A]; PubChem [5317517]; |
| Reference of Component-Ingredient Pair | N/A |
Occurrence of the ingredient across TCM components
Ingredient ID: TCMC4198
Formula: C30H48O4
Ingredient ID: TCMC4198
| Common Name | Ganodermanontriol |
| IUPAC Name | (5R,10S,13R,14R,17R)-4,4,10,13,14-pentamethyl-17-[(2R,5S,6R)-5,6,7-trihydroxy-6-methylheptan-2-yl]-1,2,5,6,12,15,16,17-octahydrocyclopenta[a]phenanthren-3-one |
| Canonical SMILES | OC[C@]([C@H](CC[C@H]([C@H]1CC[C@@]2([C@]1(C)CC=C1C2=CC[C@@H]2[C@]1(C)CCC(=O)C2(C)C)C)C)O)(O)C |
| Standard InCHI | InChI=1S/C30H48O4/c1-19(8-11-25(33)30(7,34)18-31)20-12-16-29(6)22-9-10-23-26(2,3)24(32)14-15-27(23,4)21(22)13-17-28(20,29)5/h9,13,19-20,23,25,31,33-34H,8,10-12,14-18H2,1-7H3/t19-,20-,23+,25+,27-,28-,29+,30-/m1/s1 |
| Standard InCHIKey | KASALCUNLBTNAA-LIPCCPSCSA-N |
| External Identifiers | ChEMBL [CHEMBL1915763]; PubChem [3001811]; |
| Reference of Component-Ingredient Pair | 27801787 |
Occurrence of the ingredient across TCM components
Ingredient ID: TCMC4130
Formula: C18H34O3
Ingredient ID: TCMC4130
| Common Name | Ricinoleic Acid |
| IUPAC Name | (Z,12R)-12-hydroxyoctadec-9-enoic acid |
| Canonical SMILES | CCCCCC[C@H](C/C=CCCCCCCCC(=O)[O-])O |
| Standard InCHI | InChI=1S/C18H34O3/c1-2-3-4-11-14-17(19)15-12-9-7-5-6-8-10-13-16-18(20)21/h9,12,17,19H,2-8,10-11,13-16H2,1H3,(H,20,21)/p-1/b12-9-/t17-/m1/s1 |
| Standard InCHIKey | WBHHMMIMDMUBKC-QJWNTBNXSA-M |
| External Identifiers | ChEMBL [CHEMBL3186422]; PubChem [643684]; |
| Reference of Component-Ingredient Pair | 23820557 |
Occurrence of the ingredient across TCM components
Ingredient ID: TCMC3979
Formula: C30H44O6
Ingredient ID: TCMC3979
| Common Name | Ganolucidic Acid A |
| IUPAC Name | (2R,6R)-6-[(5R,10S,13R,14R,15S,17R)-15-hydroxy-4,4,10,13,14-pentamethyl-3,11-dioxo-2,5,6,7,12,15,16,17-octahydro-1H-cyclopenta[a]phenanthren-17-yl]-2-methyl-4-oxoheptanoic acid |
| Canonical SMILES | O=C(C[C@H](C(=O)[O-])C)C[C@H]([C@H]1C[C@@H]([C@@]2([C@]1(C)CC(=O)C1=C2CC[C@@H]2[C@]1(C)CCC(=O)C2(C)C)C)O)C |
| Standard InCHI | InChI=1S/C30H44O6/c1-16(12-18(31)13-17(2)26(35)36)20-14-24(34)30(7)19-8-9-22-27(3,4)23(33)10-11-28(22,5)25(19)21(32)15-29(20,30)6/h16-17,20,22,24,34H,8-15H2,1-7H3,(H,35,36)/p-1/t16-,17-,20-,22+,24+,28+,29-,30-/m1/s1 |
| Standard InCHIKey | XRXBNTYHQXKSAO-WRRQQOFWSA-M |
| External Identifiers | ChEMBL [N/A]; PubChem [475412]; |
| Reference of Component-Ingredient Pair | 9810695 |
Occurrence of the ingredient across TCM components
Ingredient ID: TCMC3978
Formula: C30H48O4
Ingredient ID: TCMC3978
| Common Name | Lucidumol A |
| IUPAC Name | (5R,10S,13R,14R,17R)-17-[(2R,5S)-5,6-dihydroxy-6-methylheptan-2-yl]-4,4,10,13,14-pentamethyl-2,5,6,11,12,15,16,17-octahydro-1H-cyclopenta[a]phenanthrene-3,7-dione |
| Canonical SMILES | C[C@@H]([C@H]1CC[C@@]2([C@]1(C)CCC1=C2C(=O)C[C@@H]2[C@]1(C)CCC(=O)C2(C)C)C)CC[C@@H](C(O)(C)C)O |
| Standard InCHI | InChI=1S/C30H48O4/c1-18(9-10-24(33)27(4,5)34)19-11-16-30(8)25-20(12-15-29(19,30)7)28(6)14-13-23(32)26(2,3)22(28)17-21(25)31/h18-19,22,24,33-34H,9-17H2,1-8H3/t18-,19-,22+,24+,28-,29-,30+/m1/s1 |
| Standard InCHIKey | LVGCWXNRZNCAJG-AMKDLFIQSA-N |
| External Identifiers | ChEMBL [CHEMBL1917739]; PubChem [475410]; |
| Reference of Component-Ingredient Pair | 9810695 |
Occurrence of the ingredient across TCM components
Ingredient ID: TCMC3971
Formula: C30H46O4
Ingredient ID: TCMC3971
| Common Name | Ganoderiol B |
| IUPAC Name | (5R,10S,13R,14R,15S,17R)-15-hydroxy-17-[(2R)-7-hydroxy-6-(hydroxymethyl)hept-5-en-2-yl]-4,4,10,13,14-pentamethyl-1,2,5,6,12,15,16,17-octahydrocyclopenta[a]phenanthren-3-one |
| Canonical SMILES | OCC(=CCC[C@H]([C@H]1C[C@@H]([C@@]2([C@]1(C)CC=C1C2=CC[C@@H]2[C@]1(C)CCC(=O)C2(C)C)C)O)C)CO |
| Standard InCHI | InChI=1S/C30H46O4/c1-19(8-7-9-20(17-31)18-32)23-16-26(34)30(6)22-10-11-24-27(2,3)25(33)13-14-28(24,4)21(22)12-15-29(23,30)5/h9-10,12,19,23-24,26,31-32,34H,7-8,11,13-18H2,1-6H3/t19-,23-,24+,26+,28-,29-,30-/m1/s1 |
| Standard InCHIKey | SZCAPUAJXOKPIR-AHHFHQBHSA-N |
| External Identifiers | ChEMBL [N/A]; PubChem [471007]; |
| Reference of Component-Ingredient Pair | 9862140 |
Occurrence of the ingredient across TCM components
Ingredient ID: TCMC3970
Formula: C30H42O7
Ingredient ID: TCMC3970
| Common Name | Ganoderic Acid C1 |
| IUPAC Name | (2R,6R)-6-[(5R,7S,10S,13R,14R,17R)-7-hydroxy-4,4,10,13,14-pentamethyl-3,11,15-trioxo-1,2,5,6,7,12,16,17-octahydrocyclopenta[a]phenanthren-17-yl]-2-methyl-4-oxoheptanoic acid |
| Canonical SMILES | O=C(C[C@H](C(=O)[O-])C)C[C@H]([C@H]1CC(=O)[C@@]2([C@]1(C)CC(=O)C1=C2[C@@H](O)C[C@@H]2[C@]1(C)CCC(=O)C2(C)C)C)C |
| Standard InCHI | InChI=1S/C30H42O7/c1-15(10-17(31)11-16(2)26(36)37)18-12-23(35)30(7)25-19(32)13-21-27(3,4)22(34)8-9-28(21,5)24(25)20(33)14-29(18,30)6/h15-16,18-19,21,32H,8-14H2,1-7H3,(H,36,37)/p-1/t15-,16-,18-,19+,21+,28+,29-,30+/m1/s1 |
| Standard InCHIKey | YTVGSCZIHGRVAV-NJNFCIENSA-M |
| External Identifiers | ChEMBL [CHEMBL1922180]; PubChem [471004]; |
| Reference of Component-Ingredient Pair | 9862140 |
Occurrence of the ingredient across TCM components
Ingredient ID: TCMC3969
Formula: C30H44O7
Ingredient ID: TCMC3969
| Common Name | Ganode-8-En-Ric Acid A |
| IUPAC Name | (2R,6R)-6-[(5R,7S,10S,13R,14R,15S,17R)-7,15-dihydroxy-4,4,10,13,14-pentamethyl-3,11-dioxo-2,5,6,7,12,15,16,17-octahydro-1H-cyclopenta[a]phenanthren-17-yl]-2-methyl-4-oxoheptanoic acid |
| Canonical SMILES | O=C(C[C@H](C(=O)[O-])C)C[C@H]([C@H]1C[C@@H]([C@@]2([C@]1(C)CC(=O)C1=C2[C@@H](O)C[C@@H]2[C@]1(C)CCC(=O)C2(C)C)C)O)C |
| Standard InCHI | InChI=1S/C30H44O7/c1-15(10-17(31)11-16(2)26(36)37)18-12-23(35)30(7)25-19(32)13-21-27(3,4)22(34)8-9-28(21,5)24(25)20(33)14-29(18,30)6/h15-16,18-19,21,23,32,35H,8-14H2,1-7H3,(H,36,37)/p-1/t15-,16-,18-,19+,21+,23+,28+,29-,30+/m1/s1 |
| Standard InCHIKey | DYOKDAQBNHPJFD-JNTBEZBXSA-M |
| External Identifiers | ChEMBL [CHEMBL602899]; PubChem [471002]; |
| Reference of Component-Ingredient Pair | 9862140 |
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: TCMC3242
Formula: C30H48O3
Ingredient ID: TCMC3242
| Common Name | Ganodermanondiol |
| IUPAC Name | (5R,10S,13R,14R,17R)-17-[(2R,5S)-5,6-dihydroxy-6-methylheptan-2-yl]-4,4,10,13,14-pentamethyl-1,2,5,6,12,15,16,17-octahydrocyclopenta[a]phenanthren-3-one |
| Canonical SMILES | C[C@@H]([C@H]1CC[C@@]2([C@]1(C)CC=C1C2=CC[C@@H]2[C@]1(C)CCC(=O)C2(C)C)C)CC[C@@H](C(O)(C)C)O |
| Standard InCHI | InChI=1S/C30H48O3/c1-19(9-12-25(32)27(4,5)33)20-13-17-30(8)22-10-11-23-26(2,3)24(31)15-16-28(23,6)21(22)14-18-29(20,30)7/h10,14,19-20,23,25,32-33H,9,11-13,15-18H2,1-8H3/t19-,20-,23+,25+,28-,29-,30+/m1/s1 |
| Standard InCHIKey | AAJIHHYEPHRIET-XEFAKFPISA-N |
| External Identifiers | ChEMBL [N/A]; PubChem [73294]; |
| Reference of Component-Ingredient Pair | 9810695 |
Occurrence of the ingredient across TCM components
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: TCMC3
Formula: C15H14O6
Ingredient ID: TCMC3
| Common Name | (-)-Catechin |
| IUPAC Name | (2S,3R)-2-(3,4-dihydroxyphenyl)-3,4-dihydro-2H-chromene-3,5,7-triol |
| Canonical SMILES | Oc1cc2O[C@@H](c3ccc(c(c3)O)O)[C@@H](Cc2c(c1)O)O |
| Standard InCHI | InChI=1S/C15H14O6/c16-8-4-11(18)9-6-13(20)15(21-14(9)5-8)7-1-2-10(17)12(19)3-7/h1-5,13,15-20H,6H2/t13-,15+/m1/s1 |
| Standard InCHIKey | PFTAWBLQPZVEMU-HIFRSBDPSA-N |
| External Identifiers | ChEMBL [CHEMBL200715]; PubChem [73160]; |
| Reference of Component-Ingredient Pair | 22953911 |
Occurrence of the ingredient across TCM components
| Component ID | Latin Name | Pinyin Name | Chinese Name |
|---|---|---|---|
| TCMH1033 | Centella asiatica | Ji Xue Cao | 积雪草 |
| TCMH104 | Paeonia lactiflora | Bai Shao | 白芍 |
| TCMH105 | Paeonia lactiflora | Bai Shao Gan Jin Gao | 白芍干浸膏 |
| TCMH1090 | Brassica juncea | Jie Zi | 芥子 |
| TCMH1117 | Rhizoma fagopyri cymosi | Jin Qiao Mai | 金荞麦 |
| TCMH1133 | Rosa laevigata | Jin Ying Zi | 金樱子 |
| TCMH1134 | Rosa laevigata | Jin Ying Zi Rou | 金樱子肉 |
| TCMH1135 | Rosa laevigata | Jin Ying Zi Ti Qu Ye | 金樱子提取液 |
| TCMH1165 | Murraya paniculata | Jiu Li Xiang | 九里香 |
| TCMH1275 | Nelumbo nucifera | Lian Zi | 莲子 |
Showing 1 to 10 of 90 entries
Ingredient ID: TCMC2826
Formula: C28H44O3
Ingredient ID: TCMC2826
| Common Name | Ergosterol Peroxide |
| IUPAC Name | n.a. |
| Canonical SMILES | O[C@H]1CC[C@]2([C@@]3(C1)OO[C@@]1([C@@H]2CC[C@]2([C@H]1CC[C@@H]2[C@@H](/C=C/[C@@H](C(C)C)C)C)C)C=C3)C |
| Standard InCHI | InChI=1S/C28H44O3/c1-18(2)19(3)7-8-20(4)22-9-10-23-25(22,5)13-12-24-26(6)14-11-21(29)17-27(26)15-16-28(23,24)31-30-27/h7-8,15-16,18-24,29H,9-14,17H2,1-6H3/b8-7+/t19-,20+,21-,22+,23+,24+,25+,26+,27+,28-/m0/s1 |
| Standard InCHIKey | VXOZCESVZIRHCJ-KGHQQZOUSA-N |
| External Identifiers | ChEMBL [CHEMBL434750]; PubChem [5351516]; |
| Reference of Component-Ingredient Pair | 18481012 |
Occurrence of the ingredient across TCM components
| Component ID | Latin Name | Pinyin Name | Chinese Name |
|---|---|---|---|
| TCMH1296 | Ganoderma lucidum | Ling Zhi Jin Gao | 灵芝浸膏 |
| TCMH1299 | Ganoderma lucidum | Ling Zhi(1) | 灵芝 |
| TCMH1949 | Pothos chinensis | Shi Pu Teng | 石蒲藤 |
| TCMH2671 | Polyporus umbellatus | Zhu Ling | 猪苓 |
| TCMH298 | Andrographis paniculata | Chuan Xin Lian | 穿心莲 |
| TCMH299 | Andrographis paniculata | Chuan Xin Lian Gan Jin Gao | 穿心莲干浸膏 |
| TCMH300 | Andrographis paniculata | Chuan Xin Lian Jin Gao | 穿心莲浸膏 |
| TCMH302 | Andrographis paniculata | Chuan Xin Lian Nong Suo Ye | 穿心莲浓缩液 |
| TCMH494 | Cordyceps sinensis | Dong Chong Xia Cao | 冬虫夏草 |
| TCMH844 | Breynia fruticosa | Hei Mian Shen | 黑面神 |
Showing 1 to 10 of 11 entries
Ingredient ID: TCMC2814
Formula: C30H46O2
Ingredient ID: TCMC2814
| Common Name | Ganoderol A |
| IUPAC Name | (5R,10S,13R,14R,17R)-17-[(E,2R)-7-hydroxy-6-methylhept-5-en-2-yl]-4,4,10,13,14-pentamethyl-1,2,5,6,12,15,16,17-octahydrocyclopenta[a]phenanthren-3-one |
| Canonical SMILES | OC/C(=C/CC[C@H]([C@H]1CC[C@@]2([C@]1(C)CC=C1C2=CC[C@@H]2[C@]1(C)CCC(=O)C2(C)C)C)C)/C |
| Standard InCHI | InChI=1S/C30H46O2/c1-20(19-31)9-8-10-21(2)22-13-17-30(7)24-11-12-25-27(3,4)26(32)15-16-28(25,5)23(24)14-18-29(22,30)6/h9,11,14,21-22,25,31H,8,10,12-13,15-19H2,1-7H3/b20-9+/t21-,22-,25+,28-,29-,30+/m1/s1 |
| Standard InCHIKey | QWFPQDGDUOGOJF-SPFFTVLFSA-N |
| External Identifiers | ChEMBL [CHEMBL463773]; PubChem [13934284]; |
| Reference of Component-Ingredient Pair | 3783158 |
Occurrence of the ingredient across TCM components
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: TCMC2667
Formula: C30H50O
Ingredient ID: TCMC2667
| Common Name | Beta-Amyrin |
| IUPAC Name | (3S,4aR,6aR,6bS,8aR,12aR,14aR,14bR)-4,4,6a,6b,8a,11,11,14b-octamethyl-1,2,3,4a,5,6,7,8,9,10,12,12a,14,14a-tetradecahydropicen-3-ol |
| Canonical SMILES | O[C@H]1CC[C@]2([C@H](C1(C)C)CC[C@@]1([C@@H]2CC=C2[C@@]1(C)CC[C@@]1([C@H]2CC(C)(C)CC1)C)C)C |
| Standard InCHI | InChI=1S/C30H50O/c1-25(2)15-16-27(5)17-18-29(7)20(21(27)19-25)9-10-23-28(6)13-12-24(31)26(3,4)22(28)11-14-30(23,29)8/h9,21-24,31H,10-19H2,1-8H3/t21-,22-,23+,24-,27+,28-,29+,30+/m0/s1 |
| Standard InCHIKey | JFSHUTJDVKUMTJ-QHPUVITPSA-N |
| External Identifiers | ChEMBL [CHEMBL455098]; PubChem [73145]; |
| Reference of Component-Ingredient Pair | 23074889 |
Occurrence of the ingredient across TCM components
| Component ID | Latin Name | Pinyin Name | Chinese Name |
|---|---|---|---|
| TCMH1039 | Kummerowia striata | Ji Yan Cao | 鸡眼草 |
| TCMH1185 | Lycium chinense | Gou Qi | 枸杞 |
| TCMH1186 | Lycium chinense | Gou Qi Zi | 枸杞子 |
| TCMH1211 | Melia azedarach | Ku Lian Pi | 苦楝皮 |
| TCMH1212 | Melia azedarach | Ku Lian Zi | 苦楝子 |
| TCMH122 | Lobelia chinensis | Ban Bian Lian | 半边莲 |
| TCMH1272 | Forsythia suspensa | Lian Qiao | 连翘 |
| TCMH1296 | Ganoderma lucidum | Ling Zhi Jin Gao | 灵芝浸膏 |
| TCMH1299 | Ganoderma lucidum | Ling Zhi(1) | 灵芝 |
| TCMH1448 | Mangifera indica | Mang Guo Ye | 芒果叶 |
Showing 1 to 10 of 44 entries
Ingredient ID: TCMC266
Formula: C28H44O
Ingredient ID: TCMC266
| Common Name | 17-[(E)-5,6-Dimethylhept-3-En-2-Yl]-10,13-Dimethyl-2,3,4,9,11,12,14,15,16,17-Decahydro-1H-Cyclopenta[A]Phenanthren-3-Ol |
| IUPAC Name | 17-[(E)-5,6-dimethylhept-3-en-2-yl]-10,13-dimethyl-2,3,4,9,11,12,14,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-3-ol |
| Canonical SMILES | OC1CCC2(C(=CC=C3C2CCC2(C3CCC2C(/C=C/C(C(C)C)C)C)C)C1)C |
| Standard InCHI | InChI=1S/C28H44O/c1-18(2)19(3)7-8-20(4)24-11-12-25-23-10-9-21-17-22(29)13-15-27(21,5)26(23)14-16-28(24,25)6/h7-10,18-20,22,24-26,29H,11-17H2,1-6H3/b8-7+ |
| Standard InCHIKey | DNVPQKQSNYMLRS-BQYQJAHWSA-N |
| External Identifiers | ChEMBL [CHEMBL1512075]; PubChem [5319551]; |
| Reference of Component-Ingredient Pair | N/A |
Occurrence of the ingredient across TCM components
Ingredient ID: TCMC2631
Formula: C28H42O3
Ingredient ID: TCMC2631
| Common Name | n.a. |
| IUPAC Name | n.a. |
| Canonical SMILES | O[C@H]1CC[C@]2([C@@]3(C1)OO[C@@]1(C2=CC[C@]2([C@H]1CC[C@@H]2[C@@H](/C=C/[C@@H](C(C)C)C)C)C)C=C3)C |
| Standard InCHI | InChI=1S/C28H42O3/c1-18(2)19(3)7-8-20(4)22-9-10-23-25(22,5)13-12-24-26(6)14-11-21(29)17-27(26)15-16-28(23,24)31-30-27/h7-8,12,15-16,18-23,29H,9-11,13-14,17H2,1-6H3/b8-7+/t19-,20+,21-,22+,23+,25+,26+,27+,28-/m0/s1 |
| Standard InCHIKey | FWPYIYVSYQRISA-LEOBWYFPSA-N |
| External Identifiers | ChEMBL [CHEMBL449356]; PubChem [11112737]; |
| Reference of Component-Ingredient Pair | N/A |
Occurrence of the ingredient across TCM components
Ingredient ID: TCMC2601
Formula: C30H44O3
Ingredient ID: TCMC2601
| Common Name | Ganoderic Aldehyde Tr |
| IUPAC Name | (Z,6R)-6-[(5R,10S,13R,14R,15S,17R)-15-hydroxy-4,4,10,13,14-pentamethyl-3-oxo-1,2,5,6,12,15,16,17-octahydrocyclopenta[a]phenanthren-17-yl]-2-methylhept-2-enal |
| Canonical SMILES | O=C/C(=CCC[C@H]([C@H]1C[C@@H]([C@@]2([C@]1(C)CC=C1C2=CC[C@@H]2[C@]1(C)CCC(=O)C2(C)C)C)O)C)/C |
| Standard InCHI | InChI=1S/C30H44O3/c1-19(18-31)9-8-10-20(2)23-17-26(33)30(7)22-11-12-24-27(3,4)25(32)14-15-28(24,5)21(22)13-16-29(23,30)6/h9,11,13,18,20,23-24,26,33H,8,10,12,14-17H2,1-7H3/b19-9-/t20-,23-,24+,26+,28-,29-,30-/m1/s1 |
| Standard InCHIKey | CQYCAQYQKRBNHY-RGKQSROTSA-N |
| External Identifiers | ChEMBL [CHEMBL1097153]; PubChem [46830517]; |
| Reference of Component-Ingredient Pair | N/A |
Occurrence of the ingredient across TCM components
Ingredient ID: TCMC259
Formula: C30H44O5
Ingredient ID: TCMC259
| Common Name | 11Beta-Hydroxy-3,7-Dioxo-5Alpha-Lanosta-8,24(E)-Dien-26-Oic Acid |
| IUPAC Name | (E,6R)-6-[(5R,10S,11S,13R,14R,17R)-11-hydroxy-4,4,10,13,14-pentamethyl-3,7-dioxo-2,5,6,11,12,15,16,17-octahydro-1H-cyclopenta[a]phenanthren-17-yl]-2-methylhept-2-enoic acid |
| Canonical SMILES | C[C@@H]([C@H]1CC[C@@]2([C@]1(C)C[C@H](O)C1=C2C(=O)C[C@@H]2[C@]1(C)CCC(=O)C2(C)C)C)CC/C=C(/C(=O)O)C |
| Standard InCHI | InChI=1S/C30H44O5/c1-17(9-8-10-18(2)26(34)35)19-11-14-29(6)25-20(31)15-22-27(3,4)23(33)12-13-28(22,5)24(25)21(32)16-30(19,29)7/h10,17,19,21-22,32H,8-9,11-16H2,1-7H3,(H,34,35)/b18-10+/t17-,19-,21+,22+,28+,29+,30-/m1/s1 |
| Standard InCHIKey | SAZFHNNKAYSDKP-LOHDOYQRSA-N |
| External Identifiers | ChEMBL [CHEMBL2203594]; PubChem [46910043]; |
| Reference of Component-Ingredient Pair | N/A |
Occurrence of the ingredient across TCM components
Ingredient ID: TCMC2526
Formula: C3H7NO2
Ingredient ID: TCMC2526
| Common Name | Alanine |
| IUPAC Name | 2-aminopropanoic acid |
| Canonical SMILES | CC(C(=O)O)N |
| Standard InCHI | InChI=1S/C3H7NO2/c1-2(4)3(5)6/h2H,4H2,1H3,(H,5,6) |
| Standard InCHIKey | QNAYBMKLOCPYGJ-UHFFFAOYSA-N |
| External Identifiers | ChEMBL [CHEMBL12198]; PubChem [602;57383916]; |
| Reference of Component-Ingredient Pair | N/A |
Occurrence of the ingredient across TCM components
| Component ID | Latin Name | Pinyin Name | Chinese Name |
|---|---|---|---|
| TCMH1008 | Pogostemon cablin | Huo Xiang | 藿香 |
| TCMH1009 | Pogostemon cablin | Huo Xiang Ye | 藿香叶 |
| TCMH1090 | Brassica juncea | Jie Zi | 芥子 |
| TCMH1223 | Tussilago farfara | Kuan Dong Hua | 款冬花 |
| TCMH1296 | Ganoderma lucidum | Ling Zhi Jin Gao | 灵芝浸膏 |
| TCMH1299 | Ganoderma lucidum | Ling Zhi(1) | 灵芝 |
| TCMH1343 | Aloe vera | Lu Hui | 芦荟 |
| TCMH1483 | Tussilago farfara | Mi Kuan Dong Hua | 蜜款冬花 |
| TCMH1632 | Taraxacum mongolicum | Pu Gong Ying | 蒲公英 |
| TCMH1633 | Taraxacum mongolicum | Pu Gong Ying Jin Gao | 蒲公英浸膏 |
Showing 1 to 10 of 22 entries
Ingredient ID: TCMC2474
Formula: C30H44O2
Ingredient ID: TCMC2474
| Common Name | Ganoderal A |
| IUPAC Name | (E,6R)-2-methyl-6-[(5R,10S,13R,14R,17R)-4,4,10,13,14-pentamethyl-3-oxo-1,2,5,6,12,15,16,17-octahydrocyclopenta[a]phenanthren-17-yl]hept-2-enal |
| Canonical SMILES | O=C/C(=C/CC[C@H]([C@H]1CC[C@@]2([C@]1(C)CC=C1C2=CC[C@@H]2[C@]1(C)CCC(=O)C2(C)C)C)C)/C |
| Standard InCHI | InChI=1S/C30H44O2/c1-20(19-31)9-8-10-21(2)22-13-17-30(7)24-11-12-25-27(3,4)26(32)15-16-28(25,5)23(24)14-18-29(22,30)6/h9,11,14,19,21-22,25H,8,10,12-13,15-18H2,1-7H3/b20-9+/t21-,22-,25+,28-,29-,30+/m1/s1 |
| Standard InCHIKey | RHNFCIPJKSUUES-SPFFTVLFSA-N |
| External Identifiers | ChEMBL [CHEMBL463972]; PubChem [13934282]; |
| Reference of Component-Ingredient Pair | N/A |
Occurrence of the ingredient across TCM components
Ingredient ID: TCMC2426
Formula: C10H9NO2
Ingredient ID: TCMC2426
| Common Name | Methylindole-3-Carboxylate |
| IUPAC Name | methyl 1H-indole-3-carboxylate |
| Canonical SMILES | COC(=O)c1c[nH]c2c1cccc2 |
| Standard InCHI | InChI=1S/C10H9NO2/c1-13-10(12)8-6-11-9-5-3-2-4-7(8)9/h2-6,11H,1H3 |
| Standard InCHIKey | QXAUTQFAWKKNLM-UHFFFAOYSA-N |
| External Identifiers | ChEMBL [CHEMBL2270066]; PubChem [589098]; |
| Reference of Component-Ingredient Pair | N/A |
Occurrence of the ingredient across TCM components
Ingredient ID: TCMC2419
Formula: C28H46O
Ingredient ID: TCMC2419
| Common Name | 5,6-Dihydro Ergosterol |
| IUPAC Name | (3S,5S,9R,10S,13R,14R,17R)-17-[(E,2R,5R)-5,6-dimethylhept-3-en-2-yl]-10,13-dimethyl-2,3,4,5,6,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-ol |
| Canonical SMILES | O[C@H]1CC[C@]2([C@H](C1)CC=C1[C@@H]2CC[C@]2([C@H]1CC[C@@H]2[C@@H](/C=C/[C@@H](C(C)C)C)C)C)C |
| Standard InCHI | InChI=1S/C28H46O/c1-18(2)19(3)7-8-20(4)24-11-12-25-23-10-9-21-17-22(29)13-15-27(21,5)26(23)14-16-28(24,25)6/h7-8,10,18-22,24-26,29H,9,11-17H2,1-6H3/b8-7+/t19-,20+,21-,22-,24+,25-,26-,27-,28+/m0/s1 |
| Standard InCHIKey | QOXPZVASXWSKKU-UEIWAABPSA-N |
| External Identifiers | ChEMBL [CHEMBL463973]; PubChem [5283628]; |
| Reference of Component-Ingredient Pair | 28414246 |
Occurrence of the ingredient across TCM components
| Component ID | Latin Name | Pinyin Name | Chinese Name |
|---|---|---|---|
| TCMH1296 | Ganoderma lucidum | Ling Zhi Jin Gao | 灵芝浸膏 |
| TCMH1299 | Ganoderma lucidum | Ling Zhi(1) | 灵芝 |
| TCMH1949 | Pothos chinensis | Shi Pu Teng | 石蒲藤 |
| TCMH1976 | Ganoderma applanatum | Shu She | 树舌 |
| TCMH2671 | Polyporus umbellatus | Zhu Ling | 猪苓 |
| TCMH57 | Wolfiporia cocos | Bai Fu Ling | 白茯苓 |
Showing 1 to 6 of 6 entries
Ingredient ID: TCMC2402
Formula: C15H14O2
Ingredient ID: TCMC2402
| Common Name | 4-[(Z)-2-(3-Methoxyphenyl)Ethenyl]Phenol |
| IUPAC Name | 4-[(Z)-2-(3-methoxyphenyl)ethenyl]phenol |
| Canonical SMILES | COc1cccc(c1)/C=Cc1ccc(cc1)O |
| Standard InCHI | InChI=1S/C15H14O2/c1-17-15-4-2-3-13(11-15)6-5-12-7-9-14(16)10-8-12/h2-11,16H,1H3/b6-5- |
| Standard InCHIKey | ZVJLZUWCAUTTBS-WAYWQWQTSA-N |
| External Identifiers | ChEMBL [CHEMBL476677]; PubChem [5469252]; |
| 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 |
| TCMH120 | Atractylodes macrocephala | Bai Zhu | 白术 |
| TCMH1296 | Ganoderma lucidum | Ling Zhi Jin Gao | 灵芝浸膏 |
| TCMH1299 | Ganoderma lucidum | Ling Zhi(1) | 灵芝 |
| TCMH1343 | Aloe vera | Lu Hui | 芦荟 |
| TCMH1367 | Apocynum venetum | Luo Bu Ma | 罗布麻 |
| TCMH1903 | Zingiber officinale | Sheng Jiang | 生姜 |
| TCMH210 | Terminalia chebula | Cang Qing Guo | 藏青果 |
| TCMH211 | Atractylodes lancea | Cang Zhu | 苍术 |
| TCMH2374 | Phellodendron amurense | Yan Guan Huang Bai | 盐关黄柏 |
Showing 1 to 10 of 18 entries
Ingredient ID: TCMC2350
Formula: C30H44O3
Ingredient ID: TCMC2350
| Common Name | Lucialdehyde B |
| IUPAC Name | (E,6R)-2-methyl-6-[(5R,10S,13R,14R,17R)-4,4,10,13,14-pentamethyl-3,7-dioxo-2,5,6,11,12,15,16,17-octahydro-1H-cyclopenta[a]phenanthren-17-yl]hept-2-enal |
| Canonical SMILES | O=C/C(=C/CC[C@H]([C@H]1CC[C@@]2([C@]1(C)CCC1=C2C(=O)C[C@@H]2[C@]1(C)CCC(=O)C2(C)C)C)C)/C |
| Standard InCHI | InChI=1S/C30H44O3/c1-19(18-31)9-8-10-20(2)21-11-16-30(7)26-22(12-15-29(21,30)6)28(5)14-13-25(33)27(3,4)24(28)17-23(26)32/h9,18,20-21,24H,8,10-17H2,1-7H3/b19-9+/t20-,21-,24+,28-,29-,30+/m1/s1 |
| Standard InCHIKey | KZOBOICRKKYGAQ-GOUGDUPLSA-N |
| External Identifiers | ChEMBL [CHEMBL463372]; PubChem [10343868]; |
| Reference of Component-Ingredient Pair | 12045343 |
Occurrence of the ingredient across TCM components
Ingredient ID: TCMC2339
Formula: C36H52O8
Ingredient ID: TCMC2339
| Common Name | Ganoderic Acid T |
| IUPAC Name | (E,5S,6S)-5-acetyloxy-6-[(3R,5R,10S,13R,14R,15S,17R)-3,15-diacetyloxy-4,4,10,13,14-pentamethyl-2,3,5,6,12,15,16,17-octahydro-1H-cyclopenta[a]phenanthren-17-yl]-2-methylhept-2-enoic acid |
| Canonical SMILES | CC(=O)O[C@H]1C[C@@H]([C@@]2([C@]1(C)C1=CC[C@@H]3[C@](C1=CC2)(C)CC[C@H](C3(C)C)OC(=O)C)C)[C@@H]([C@@H](OC(=O)C)C/C=C(/C(=O)O)C)C |
| Standard InCHI | InChI=1S/C36H52O8/c1-20(32(40)41)11-13-28(42-22(3)37)21(2)27-19-31(44-24(5)39)36(10)26-12-14-29-33(6,7)30(43-23(4)38)16-17-34(29,8)25(26)15-18-35(27,36)9/h11-12,15,21,27-31H,13-14,16-19H2,1-10H3,(H,40,41)/b20-11+/t21-,27+,28-,29-,30+,31-,34+,35+,36+/m0/s1 |
| Standard InCHIKey | OCLVBEOPEKEKNM-CAXIOAJTSA-N |
| External Identifiers | ChEMBL [CHEMBL2205006]; PubChem [21637704]; |
| Reference of Component-Ingredient Pair | N/A |
Occurrence of the ingredient across TCM components
Ingredient ID: TCMC2280
Formula: C9H13N3O4
Ingredient ID: TCMC2280
| Common Name | Deoxycytidine |
| IUPAC Name | 4-amino-1-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]pyrimidin-2-one |
| Canonical SMILES | OC[C@H]1O[C@H](C[C@@H]1O)n1ccc(=N)nc1O |
| Standard InCHI | InChI=1S/C9H13N3O4/c10-7-1-2-12(9(15)11-7)8-3-5(14)6(4-13)16-8/h1-2,5-6,8,13-14H,3-4H2,(H2,10,11,15)/t5-,6+,8+/m0/s1 |
| Standard InCHIKey | CKTSBUTUHBMZGZ-SHYZEUOFSA-N |
| External Identifiers | ChEMBL [CHEMBL66115]; PubChem [13711]; |
| Reference of Component-Ingredient Pair | N/A |
Occurrence of the ingredient across TCM components
Ingredient ID: TCMC2222
Formula: C8H8O4
Ingredient ID: TCMC2222
| Common Name | Vanillic Acid |
| IUPAC Name | 4-hydroxy-3-methoxybenzoic acid |
| Canonical SMILES | COc1cc(ccc1O)C(=O)O |
| Standard InCHI | InChI=1S/C8H8O4/c1-12-7-4-5(8(10)11)2-3-6(7)9/h2-4,9H,1H3,(H,10,11) |
| Standard InCHIKey | WKOLLVMJNQIZCI-UHFFFAOYSA-N |
| External Identifiers | ChEMBL [CHEMBL120568]; PubChem [8468]; |
| Reference of Component-Ingredient Pair | 23800587 |
Occurrence of the ingredient across TCM components
| Component ID | Latin Name | Pinyin Name | Chinese Name |
|---|---|---|---|
| TCMH1008 | Pogostemon cablin | Huo Xiang | 藿香 |
| TCMH1009 | Pogostemon cablin | Huo Xiang Ye | 藿香叶 |
| TCMH1011 | Sargentodoxa cuneata | Huo Xue Teng | 活血藤 |
| TCMH1032 | Impatiens balsamina | Ji Xing Zi | 急性子 |
| TCMH1064 | Coptis chinensis | Jiang Huang Lian | 姜黄连 |
| TCMH108 | Perilla frutescens | Bai Su Zi | 白苏子 |
| TCMH1086 | Sambucus williamsii | Jie Gu Mu | 接骨木 |
| TCMH1105 | Trollius chinensis | Jin Lian Hua | 金莲花 |
| TCMH1127 | Lonicera japonica | Jin Yin Hua | 金银花 |
| TCMH1128 | Lonicera japonica | Jin Yin Hua Ti Qu Ye | 金银花提取液 |
Showing 1 to 10 of 168 entries
Ingredient ID: TCMC2209
Formula: C9H12N2O6
Ingredient ID: TCMC2209
| Common Name | Uridine |
| IUPAC Name | 1-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]pyrimidine-2,4-dione |
| Canonical SMILES | OC[C@H]1O[C@H]([C@@H]([C@@H]1O)O)n1ccc(nc1=O)O |
| Standard InCHI | InChI=1S/C9H12N2O6/c12-3-4-6(14)7(15)8(17-4)11-2-1-5(13)10-9(11)16/h1-2,4,6-8,12,14-15H,3H2,(H,10,13,16)/t4-,6-,7-,8-/m1/s1 |
| Standard InCHIKey | DRTQHJPVMGBUCF-XVFCMESISA-N |
| External Identifiers | ChEMBL [CHEMBL100259]; PubChem [6029]; |
| Reference of Component-Ingredient Pair | 27469509 |
Occurrence of the ingredient across TCM components
| Component ID | Latin Name | Pinyin Name | Chinese Name |
|---|---|---|---|
| TCMH1223 | Tussilago farfara | Kuan Dong Hua | 款冬花 |
| TCMH1296 | Ganoderma lucidum | Ling Zhi Jin Gao | 灵芝浸膏 |
| TCMH1299 | Ganoderma lucidum | Ling Zhi(1) | 灵芝 |
| TCMH130 | Pinellia ternata | Ban Xia | 半夏 |
| TCMH131 | Pinellia ternata | Ban Xia Qu | 半夏曲 |
| TCMH143 | Albizia julibrissin | Bei He Huan | 北合欢 |
| TCMH1483 | Tussilago farfara | Mi Kuan Dong Hua | 蜜款冬花 |
| TCMH1626 | Fritillaria ussuriensis | Ping Bei Mu | 平贝母 |
| TCMH1677 | Pinellia ternata | Qing Ban Xia | 清半夏 |
| TCMH1734 | Homo sapiens | Ren Zhong Bai | 人中白 |
Showing 1 to 10 of 45 entries
Ingredient ID: TCMC2200
Formula: C9H11NO3
Ingredient ID: TCMC2200
| Common Name | Tyrosine |
| IUPAC Name | (2S)-2-amino-3-(4-hydroxyphenyl)propanoic acid |
| Canonical SMILES | OC(=O)[C@H](Cc1ccc(cc1)O)N |
| Standard InCHI | InChI=1S/C9H11NO3/c10-8(9(12)13)5-6-1-3-7(11)4-2-6/h1-4,8,11H,5,10H2,(H,12,13)/t8-/m0/s1 |
| Standard InCHIKey | OUYCCCASQSFEME-QMMMGPOBSA-N |
| External Identifiers | ChEMBL [CHEMBL925]; PubChem [6057]; |
| Reference of Component-Ingredient Pair | N/A |
Occurrence of the ingredient across TCM components
| Component ID | Latin Name | Pinyin Name | Chinese Name |
|---|---|---|---|
| TCMH1090 | Brassica juncea | Jie Zi | 芥子 |
| TCMH1155 | Allium tuberosum | Jiu Cai | 韭菜 |
| TCMH1176 | Allium tuberosum | Jiu Zi | 韭子 |
| TCMH1197 | Selaginella tamariscina | Juan Bai | 卷柏 |
| TCMH1294 | Cornu saigae tataricae | Ling Yang Jiao | 羚羊角 |
| TCMH1296 | Ganoderma lucidum | Ling Zhi Jin Gao | 灵芝浸膏 |
| TCMH1299 | Ganoderma lucidum | Ling Zhi(1) | 灵芝 |
| TCMH130 | Pinellia ternata | Ban Xia | 半夏 |
| TCMH131 | Pinellia ternata | Ban Xia Qu | 半夏曲 |
| TCMH1677 | Pinellia ternata | Qing Ban Xia | 清半夏 |
Showing 1 to 10 of 29 entries
Ingredient ID: TCMC2199
Formula: C8H11NO
Ingredient ID: TCMC2199
| Common Name | Tyramine |
| IUPAC Name | 4-(2-aminoethyl)phenol |
| Canonical SMILES | NCCc1ccc(cc1)O |
| Standard InCHI | InChI=1S/C8H11NO/c9-6-5-7-1-3-8(10)4-2-7/h1-4,10H,5-6,9H2 |
| Standard InCHIKey | DZGWFCGJZKJUFP-UHFFFAOYSA-N |
| External Identifiers | ChEMBL [CHEMBL11608]; PubChem [5610]; |
| Reference of Component-Ingredient Pair | 27986436 |
Occurrence of the ingredient across TCM components
| Component ID | Latin Name | Pinyin Name | Chinese Name |
|---|---|---|---|
| TCMH101 | Chelidonium majus | Bai Qu Cai | 白屈菜 |
| TCMH1178 | Citrus reticulata | Ju He | 橘核 |
| TCMH1184 | Citrus reticulata | Ju Pi | 橘皮 |
| TCMH1296 | Ganoderma lucidum | Ling Zhi Jin Gao | 灵芝浸膏 |
| TCMH1299 | Ganoderma lucidum | Ling Zhi(1) | 灵芝 |
| TCMH1430 | Hordeum vulgare | Mai Ya | 麦芽 |
| TCMH1734 | Homo sapiens | Ren Zhong Bai | 人中白 |
| TCMH1854 | Crataegi folium | Shan Zha Ye | 山楂叶 |
| TCMH1987 | Silybum marianum | Shui Fei Ji | 水飞蓟 |
| TCMH253 | Citrus aurantium | Cheng Pi | 橙皮 |
Showing 1 to 10 of 17 entries
Ingredient ID: TCMC2165
Formula: C10H14N2O5
Ingredient ID: TCMC2165
| Common Name | Thymidine |
| IUPAC Name | 1-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-5-methylpyrimidine-2,4-dione |
| Canonical SMILES | OC[C@H]1O[C@H](C[C@@H]1O)n1cc(C)c(nc1=O)O |
| Standard InCHI | InChI=1S/C10H14N2O5/c1-5-3-12(10(16)11-9(5)15)8-2-6(14)7(4-13)17-8/h3,6-8,13-14H,2,4H2,1H3,(H,11,15,16)/t6-,7+,8+/m0/s1 |
| Standard InCHIKey | IQFYYKKMVGJFEH-XLPZGREQSA-N |
| External Identifiers | ChEMBL [CHEMBL52609]; PubChem [5789]; |
| Reference of Component-Ingredient Pair | 22882409 |
Occurrence of the ingredient across TCM components
| Component ID | Latin Name | Pinyin Name | Chinese Name |
|---|---|---|---|
| TCMH1155 | Allium tuberosum | Jiu Cai | 韭菜 |
| TCMH1176 | Allium tuberosum | Jiu Zi | 韭子 |
| TCMH1296 | Ganoderma lucidum | Ling Zhi Jin Gao | 灵芝浸膏 |
| TCMH1299 | Ganoderma lucidum | Ling Zhi(1) | 灵芝 |
| TCMH130 | Pinellia ternata | Ban Xia | 半夏 |
| TCMH131 | Pinellia ternata | Ban Xia Qu | 半夏曲 |
| TCMH1626 | Fritillaria ussuriensis | Ping Bei Mu | 平贝母 |
| TCMH1677 | Pinellia ternata | Qing Ban Xia | 清半夏 |
| TCMH1734 | Homo sapiens | Ren Zhong Bai | 人中白 |
| TCMH1894 | Pinellia ternata | Sheng Ban Xia | 生半夏 |
Showing 1 to 10 of 21 entries
Ingredient ID: TCMC2105
Formula: C18H36O2
Ingredient ID: TCMC2105
| Common Name | Stearic Acid |
| IUPAC Name | octadecanoic acid |
| Canonical SMILES | CCCCCCCCCCCCCCCCCC(=O)O |
| Standard InCHI | InChI=1S/C18H36O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20/h2-17H2,1H3,(H,19,20) |
| Standard InCHIKey | QIQXTHQIDYTFRH-UHFFFAOYSA-N |
| External Identifiers | ChEMBL [CHEMBL46403]; PubChem [5281]; |
| 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 |
| TCMH1008 | Pogostemon cablin | Huo Xiang | 藿香 |
| TCMH1009 | Pogostemon cablin | Huo Xiang Ye | 藿香叶 |
| TCMH1033 | Centella asiatica | Ji Xue Cao | 积雪草 |
| TCMH1063 | Curcuma longa | Jiang Huang | 姜黄 |
| TCMH108 | Perilla frutescens | Bai Su Zi | 白苏子 |
| TCMH1105 | Trollius chinensis | Jin Lian Hua | 金莲花 |
| TCMH1111 | Polygala glomerata | Jin Niu Cao | 金牛草 |
| TCMH114 | Platycladus orientalis | Bai Ye | 柏叶 |
| TCMH1142 | Schizonepetae spica | Jing Jie Sui | 荆芥穗 |
Showing 1 to 10 of 176 entries
Ingredient ID: TCMC2031
Formula: C27H30O16
Ingredient ID: TCMC2031
| Common Name | Rutin |
| IUPAC Name | 2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-3-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-[[(2R,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxymethyl]oxan-2-yl]oxychromen-4-one |
| Canonical SMILES | Oc1cc(O)c2c(c1)oc(c(c2=O)O[C@@H]1O[C@H](CO[C@@H]2O[C@@H](C)[C@@H]([C@H]([C@H]2O)O)O)[C@H]([C@@H]([C@H]1O)O)O)c1ccc(c(c1)O)O |
| Standard InCHI | InChI=1S/C27H30O16/c1-8-17(32)20(35)22(37)26(40-8)39-7-15-18(33)21(36)23(38)27(42-15)43-25-19(34)16-13(31)5-10(28)6-14(16)41-24(25)9-2-3-11(29)12(30)4-9/h2-6,8,15,17-18,20-23,26-33,35-38H,7H2,1H3/t8-,15+,17-,18+,20+,21-,22+,23+,26+,27-/m0/s1 |
| Standard InCHIKey | IKGXIBQEEMLURG-NVPNHPEKSA-N |
| External Identifiers | ChEMBL [CHEMBL226335]; PubChem [5280805]; |
| Reference of Component-Ingredient Pair | 26408079 |
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 |
| 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 |
| TCMH1127 | Lonicera japonica | Jin Yin Hua | 金银花 |
Showing 1 to 10 of 215 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: TCMC1977
Formula: C6H6O3
Ingredient ID: TCMC1977
| Common Name | Pyrogallol |
| IUPAC Name | benzene-1,2,3-triol |
| Canonical SMILES | Oc1c(O)cccc1O |
| Standard InCHI | InChI=1S/C6H6O3/c7-4-2-1-3-5(8)6(4)9/h1-3,7-9H |
| Standard InCHIKey | WQGWDDDVZFFDIG-UHFFFAOYSA-N |
| External Identifiers | ChEMBL [CHEMBL307145]; PubChem [1057]; |
| Reference of Component-Ingredient Pair | N/A |
Occurrence of the ingredient across TCM components
| Component ID | Latin Name | Pinyin Name | Chinese Name |
|---|---|---|---|
| TCMH1296 | Ganoderma lucidum | Ling Zhi Jin Gao | 灵芝浸膏 |
| TCMH1299 | Ganoderma lucidum | Ling Zhi(1) | 灵芝 |
| TCMH1734 | Homo sapiens | Ren Zhong Bai | 人中白 |
| TCMH1865 | Paeonia obovata | Shao Yao | 芍药 |
| TCMH210 | Terminalia chebula | Cang Qing Guo | 藏青果 |
| TCMH2218 | Rubia cordifolia | Qian Cao Teng | 茜草藤 |
| TCMH258 | Paeonia obovata | Chi Shao | 赤芍 |
| TCMH2710 | Homo sapiens | Zi He Che | 紫河车 |
| TCMH524 | Eucommia ulmoides | Du Zhong | 杜仲 |
| TCMH525 | Eucommia ulmoides | Du Zhong Tan | 杜仲炭 |
Showing 1 to 10 of 15 entries
Ingredient ID: TCMC1956
Formula: C7H6O4
Ingredient ID: TCMC1956
| Common Name | Protocatechuic Acid |
| IUPAC Name | 3,4-dihydroxybenzoic acid |
| Canonical SMILES | OC(=O)c1ccc(c(c1)O)O |
| Standard InCHI | InChI=1S/C7H6O4/c8-5-2-1-4(7(10)11)3-6(5)9/h1-3,8-9H,(H,10,11) |
| Standard InCHIKey | YQUVCSBJEUQKSH-UHFFFAOYSA-N |
| External Identifiers | ChEMBL [CHEMBL37537]; PubChem [72]; |
| Reference of Component-Ingredient Pair | 24685503 |
Occurrence of the ingredient across TCM components
| Component ID | Latin Name | Pinyin Name | Chinese Name |
|---|---|---|---|
| TCMH10 | Blumea balsamifera | Ai Pian | 艾片 |
| TCMH1008 | Pogostemon cablin | Huo Xiang | 藿香 |
| TCMH1009 | Pogostemon cablin | Huo Xiang Ye | 藿香叶 |
| TCMH1011 | Sargentodoxa cuneata | Huo Xue Teng | 活血藤 |
| TCMH1032 | Impatiens balsamina | Ji Xing Zi | 急性子 |
| TCMH1033 | Centella asiatica | Ji Xue Cao | 积雪草 |
| TCMH108 | Perilla frutescens | Bai Su Zi | 白苏子 |
| TCMH11 | Blumea balsamifera | Ai Tan | 艾炭 |
| TCMH1105 | Trollius chinensis | Jin Lian Hua | 金莲花 |
| TCMH1117 | Rhizoma fagopyri cymosi | Jin Qiao Mai | 金荞麦 |
Showing 1 to 10 of 194 entries
Ingredient ID: TCMC1955
Formula: C7H6O3
Ingredient ID: TCMC1955
| Common Name | Protocatechualdehyde |
| IUPAC Name | 3,4-dihydroxybenzaldehyde |
| Canonical SMILES | O=Cc1ccc(c(c1)O)O |
| Standard InCHI | InChI=1S/C7H6O3/c8-4-5-1-2-6(9)7(10)3-5/h1-4,9-10H |
| Standard InCHIKey | IBGBGRVKPALMCQ-UHFFFAOYSA-N |
| External Identifiers | ChEMBL [CHEMBL222021]; PubChem [8768]; |
| Reference of Component-Ingredient Pair | 22885041 |
Occurrence of the ingredient across TCM components
| Component ID | Latin Name | Pinyin Name | Chinese Name |
|---|---|---|---|
| TCMH10 | Blumea balsamifera | Ai Pian | 艾片 |
| TCMH108 | Perilla frutescens | Bai Su Zi | 白苏子 |
| TCMH11 | Blumea balsamifera | Ai Tan | 艾炭 |
| TCMH1264 | Litchi chinensis | Li Zhi He | 荔枝核 |
| TCMH1272 | Forsythia suspensa | Lian Qiao | 连翘 |
| TCMH1285 | Orobanche coerulescens | Lie Dang | 列当 |
| TCMH1296 | Ganoderma lucidum | Ling Zhi Jin Gao | 灵芝浸膏 |
| TCMH1299 | Ganoderma lucidum | Ling Zhi(1) | 灵芝 |
| TCMH130 | Pinellia ternata | Ban Xia | 半夏 |
| TCMH131 | Pinellia ternata | Ban Xia Qu | 半夏曲 |
Showing 1 to 10 of 44 entries
Ingredient ID: TCMC1882
Formula: C8H6O4
Ingredient ID: TCMC1882
| Common Name | Phthalic Acid |
| IUPAC Name | hydron;phthalate |
| Canonical SMILES | OC(=O)c1ccccc1C(=O)O |
| Standard InCHI | InChI=1S/C8H6O4/c9-7(10)5-3-1-2-4-6(5)8(11)12/h1-4H,(H,9,10)(H,11,12) |
| Standard InCHIKey | XNGIFLGASWRNHJ-UHFFFAOYSA-N |
| External Identifiers | ChEMBL [CHEMBL1045]; PubChem [18183610]; |
| Reference of Component-Ingredient Pair | N/A |
Occurrence of the ingredient across TCM components
| Component ID | Latin Name | Pinyin Name | Chinese Name |
|---|---|---|---|
| TCMH108 | Perilla frutescens | Bai Su Zi | 白苏子 |
| TCMH1175 | Cornus officinalis | Jiu Yu Rou | 酒萸肉 |
| TCMH1223 | Tussilago farfara | Kuan Dong Hua | 款冬花 |
| TCMH1296 | Ganoderma lucidum | Ling Zhi Jin Gao | 灵芝浸膏 |
| TCMH1299 | Ganoderma lucidum | Ling Zhi(1) | 灵芝 |
| TCMH1483 | Tussilago farfara | Mi Kuan Dong Hua | 蜜款冬花 |
| TCMH1489 | Papaver somniferum | Mi Ying Su Ke | 蜜罂粟壳 |
| TCMH1734 | Homo sapiens | Ren Zhong Bai | 人中白 |
| TCMH1862 | Cornus officinalis | Shan Zhu Yu | 山茱萸 |
| TCMH1966 | Rehmannia glutinosa | Shu Di Huang | 熟地黄 |
Showing 1 to 10 of 27 entries
Ingredient ID: TCMC1871
Formula: C6H6O
Ingredient ID: TCMC1871
| Common Name | Phenol |
| IUPAC Name | phenol |
| Canonical SMILES | Oc1ccccc1 |
| Standard InCHI | InChI=1S/C6H6O/c7-6-4-2-1-3-5-6/h1-5,7H |
| Standard InCHIKey | ISWSIDIOOBJBQZ-UHFFFAOYSA-N |
| External Identifiers | ChEMBL [CHEMBL14060]; PubChem [996]; |
| 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 |
| TCMH1154 | Ilex rotunda | Jiu Bi Ying | 救必应 |
| TCMH120 | Atractylodes macrocephala | Bai Zhu | 白术 |
| TCMH1296 | Ganoderma lucidum | Ling Zhi Jin Gao | 灵芝浸膏 |
| TCMH1299 | Ganoderma lucidum | Ling Zhi(1) | 灵芝 |
| TCMH1343 | Aloe vera | Lu Hui | 芦荟 |
| TCMH1367 | Apocynum venetum | Luo Bu Ma | 罗布麻 |
| TCMH1431 | Vitex trifolia | Man Jing Ye | 蔓荆叶 |
| TCMH1432 | Vitex trifolia | Man Jing Zi | 蔓荆子 |
| TCMH1518 | Chaenomeles sinensis | Mu Gua | 木瓜 |
Showing 1 to 10 of 37 entries
Ingredient ID: TCMC1854
Formula: C5H10O
Ingredient ID: TCMC1854
| Common Name | Pentanal |
| IUPAC Name | pentanal |
| Canonical SMILES | CCCCC=O |
| Standard InCHI | InChI=1S/C5H10O/c1-2-3-4-5-6/h5H,2-4H2,1H3 |
| Standard InCHIKey | HGBOYTHUEUWSSQ-UHFFFAOYSA-N |
| External Identifiers | ChEMBL [CHEMBL18602]; PubChem [8063]; |
| Reference of Component-Ingredient Pair | 25014914 |
Occurrence of the ingredient across TCM components
| Component ID | Latin Name | Pinyin Name | Chinese Name |
|---|---|---|---|
| TCMH1296 | Ganoderma lucidum | Ling Zhi Jin Gao | 灵芝浸膏 |
| TCMH1299 | Ganoderma lucidum | Ling Zhi(1) | 灵芝 |
| TCMH1343 | Aloe vera | Lu Hui | 芦荟 |
| 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 |
| TCMH1772 | Panax notoginseng | San Qi Hua | 三七花 |
| TCMH1774 | Panax notoginseng | San Qi Jing Ye | 三七茎叶 |
| TCMH1776 | Panax notoginseng | San Qi Ye | 三七叶 |
| TCMH1777 | Panax notoginseng | San Qi Ye Jing | 三七叶茎 |
Showing 1 to 10 of 23 entries
Ingredient ID: TCMC1839
Formula: C7H6O3
Ingredient ID: TCMC1839
| Common Name | Paraben |
| IUPAC Name | 4-oxoniobenzoate |
| Canonical SMILES | Oc1ccc(cc1)C(=O)O |
| Standard InCHI | InChI=1S/C7H6O3/c8-6-3-1-5(2-4-6)7(9)10/h1-4,8H,(H,9,10) |
| Standard InCHIKey | FJKROLUGYXJWQN-UHFFFAOYSA-N |
| External Identifiers | ChEMBL [CHEMBL441343]; PubChem [3702506]; |
| Reference of Component-Ingredient Pair | 8087979 |
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 |
| TCMH101 | Chelidonium majus | Bai Qu Cai | 白屈菜 |
| TCMH108 | Perilla frutescens | Bai Su Zi | 白苏子 |
| TCMH1105 | Trollius chinensis | Jin Lian Hua | 金莲花 |
| TCMH1146 | Oryza sativa | Jing Mi | 粳米 |
| TCMH1178 | Citrus reticulata | Ju He | 橘核 |
| TCMH1184 | Citrus reticulata | Ju Pi | 橘皮 |
| TCMH1211 | Melia azedarach | Ku Lian Pi | 苦楝皮 |
| TCMH1212 | Melia azedarach | Ku Lian Zi | 苦楝子 |
Showing 1 to 10 of 162 entries
Ingredient ID: TCMC1830
Formula: C16H32O2
Ingredient ID: TCMC1830
| Common Name | Palmitic Acid |
| IUPAC Name | hexadecanoic acid |
| Canonical SMILES | CCCCCCCCCCCCCCCC(=O)O |
| Standard InCHI | InChI=1S/C16H32O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16(17)18/h2-15H2,1H3,(H,17,18) |
| Standard InCHIKey | IPCSVZSSVZVIGE-UHFFFAOYSA-N |
| External Identifiers | ChEMBL [CHEMBL82293]; PubChem [985]; |
| Reference of Component-Ingredient Pair | 29968805 |
Occurrence of the ingredient across TCM components
| Component ID | Latin Name | Pinyin Name | Chinese Name |
|---|---|---|---|
| TCMH1000 | Foeniculum vulgare | Hui Xiang | 茴香 |
| TCMH1005 | Cannabis sativa | Huo Ma Ren | 火麻仁 |
| TCMH1008 | Pogostemon cablin | Huo Xiang | 藿香 |
| TCMH1009 | Pogostemon cablin | Huo Xiang Ye | 藿香叶 |
| TCMH1022 | Celosia cristata | Ji Guan Hua | 鸡冠花 |
| TCMH1029 | Paederia scandens | Ji Shi Teng | 鸡矢藤 |
| TCMH1033 | Centella asiatica | Ji Xue Cao | 积雪草 |
| TCMH1063 | Curcuma longa | Jiang Huang | 姜黄 |
| TCMH108 | Perilla frutescens | Bai Su Zi | 白苏子 |
| TCMH1105 | Trollius chinensis | Jin Lian Hua | 金莲花 |
Showing 1 to 10 of 274 entries
Ingredient ID: TCMC1788
Formula: C18H34O2
Ingredient ID: TCMC1788
| Common Name | Oleic Acid |
| IUPAC Name | (Z)-octadec-9-enoic acid |
| Canonical SMILES | CCCCCCCC/C=CCCCCCCCC(=O)O |
| Standard InCHI | InChI=1S/C18H34O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20/h9-10H,2-8,11-17H2,1H3,(H,19,20)/b10-9- |
| Standard InCHIKey | ZQPPMHVWECSIRJ-KTKRTIGZSA-N |
| External Identifiers | ChEMBL [CHEMBL8659]; PubChem [445639]; |
| Reference of Component-Ingredient Pair | 29968805 |
Occurrence of the ingredient across TCM components
| Component ID | Latin Name | Pinyin Name | Chinese Name |
|---|---|---|---|
| TCMH1000 | Foeniculum vulgare | Hui Xiang | 茴香 |
| TCMH1005 | Cannabis sativa | Huo Ma Ren | 火麻仁 |
| TCMH1008 | Pogostemon cablin | Huo Xiang | 藿香 |
| TCMH1009 | Pogostemon cablin | Huo Xiang Ye | 藿香叶 |
| TCMH1033 | Centella asiatica | Ji Xue Cao | 积雪草 |
| TCMH1063 | Curcuma longa | Jiang Huang | 姜黄 |
| TCMH108 | Perilla frutescens | Bai Su Zi | 白苏子 |
| TCMH1105 | Trollius chinensis | Jin Lian Hua | 金莲花 |
| TCMH1111 | Polygala glomerata | Jin Niu Cao | 金牛草 |
| TCMH1118 | Lygodium japonicum | Jin Sha Teng | 金沙藤 |
Showing 1 to 10 of 166 entries
Ingredient ID: TCMC1786
Formula: C30H48O3
Ingredient ID: TCMC1786
| Common Name | Oleanolic_Acid |
| IUPAC Name | (4aS,6aR,6aS,6bR,8aR,10S,12aR,14bS)-10-hydroxy-2,2,6a,6b,9,9,12a-heptamethyl-1,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropicene-4a-carboxylic acid |
| Canonical SMILES | O[C@H]1CC[C@]2([C@H](C1(C)C)CC[C@@]1([C@@H]2CC=C2[C@@]1(C)CC[C@@]1([C@H]2CC(C)(C)CC1)C(=O)O)C)C |
| Standard InCHI | InChI=1S/C30H48O3/c1-25(2)14-16-30(24(32)33)17-15-28(6)19(20(30)18-25)8-9-22-27(5)12-11-23(31)26(3,4)21(27)10-13-29(22,28)7/h8,20-23,31H,9-18H2,1-7H3,(H,32,33)/t20-,21-,22+,23-,27-,28+,29+,30-/m0/s1 |
| Standard InCHIKey | MIJYXULNPSFWEK-GTOFXWBISA-N |
| External Identifiers | ChEMBL [CHEMBL168]; PubChem [10494]; |
| Reference of Component-Ingredient Pair | 22002744 |
Occurrence of the ingredient across TCM components
| Component ID | Latin Name | Pinyin Name | Chinese Name |
|---|---|---|---|
| TCMH1000 | Foeniculum vulgare | Hui Xiang | 茴香 |
| TCMH1008 | Pogostemon cablin | Huo Xiang | 藿香 |
| TCMH1009 | Pogostemon cablin | Huo Xiang Ye | 藿香叶 |
| TCMH1039 | Kummerowia striata | Ji Yan Cao | 鸡眼草 |
| TCMH108 | Perilla frutescens | Bai Su Zi | 白苏子 |
| TCMH1080 | Platycodon grandiflorum | Jie Geng | 桔梗 |
| TCMH1082 | Platycodon grandiflorum | Jie Geng Gan Gao | 桔梗干膏 |
| TCMH1083 | Platycodon grandiflorum | Jie Geng Gan Gao Fen | 桔梗干膏粉 |
| TCMH1084 | Platycodon grandiflorum | Jie Geng Liu Jin Gao | 桔梗流浸膏 |
| TCMH1085 | Platycodon grandiflorum | Jie Geng Liu Zhu Gao | 桔梗流注膏 |
Showing 1 to 10 of 135 entries
Ingredient ID: TCMC1777
Formula: C8H18O
Ingredient ID: TCMC1777
| Common Name | Octanol |
| IUPAC Name | octan-1-ol |
| Canonical SMILES | CCCCCCCCO |
| Standard InCHI | InChI=1S/C8H18O/c1-2-3-4-5-6-7-8-9/h9H,2-8H2,1H3 |
| Standard InCHIKey | KBPLFHHGFOOTCA-UHFFFAOYSA-N |
| External Identifiers | ChEMBL [CHEMBL26215]; PubChem [957]; |
| Reference of Component-Ingredient Pair | 23084055 |
Occurrence of the ingredient across TCM components
| Component ID | Latin Name | Pinyin Name | Chinese Name |
|---|---|---|---|
| TCMH1000 | Foeniculum vulgare | Hui Xiang | 茴香 |
| 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 |
| TCMH1292 | Radix smilacis | Ling Xian | 灵仙 |
| TCMH1296 | Ganoderma lucidum | Ling Zhi Jin Gao | 灵芝浸膏 |
| TCMH1299 | Ganoderma lucidum | Ling Zhi(1) | 灵芝 |
| TCMH1343 | Aloe vera | Lu Hui | 芦荟 |
| TCMH1398 | Ephedra sinica | Ma Huang | 麻黄 |
Showing 1 to 10 of 51 entries
Ingredient ID: TCMC1735
Formula: C27H32O14
Ingredient ID: TCMC1735
| Common Name | Naringin |
| IUPAC Name | (2S)-7-[(2S,3R,4S,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)-3-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-2-yl]oxy-5-hydroxy-2-(4-hydroxyphenyl)-2,3-dihydrochromen-4-one |
| Canonical SMILES | OC[C@H]1O[C@@H](Oc2cc(O)c3c(c2)O[C@@H](CC3=O)c2ccc(cc2)O)[C@@H]([C@H]([C@@H]1O)O)O[C@@H]1O[C@@H](C)[C@@H]([C@H]([C@H]1O)O)O |
| Standard InCHI | InChI=1S/C27H32O14/c1-10-20(32)22(34)24(36)26(37-10)41-25-23(35)21(33)18(9-28)40-27(25)38-13-6-14(30)19-15(31)8-16(39-17(19)7-13)11-2-4-12(29)5-3-11/h2-7,10,16,18,20-30,32-36H,8-9H2,1H3/t10-,16-,18+,20-,21+,22+,23-,24+,25+,26-,27+/m0/s1 |
| Standard InCHIKey | DFPMSGMNTNDNHN-ZPHOTFPESA-N |
| External Identifiers | ChEMBL [CHEMBL451532]; PubChem [442428]; |
| Reference of Component-Ingredient Pair | 22260547 |
Occurrence of the ingredient across TCM components
| Component ID | Latin Name | Pinyin Name | Chinese Name |
|---|---|---|---|
| TCMH1097 | Fortunella japonica | Jin Gan | 金柑 |
| TCMH1104 | Fortunella margarita | Jin Ju | 金橘 |
| TCMH1178 | Citrus reticulata | Ju He | 橘核 |
| TCMH1179 | Citri exocarpium rubrum | Ju Hong | 橘红 |
| TCMH1180 | Exocarpium citri rubrum | Ju Hong Pi | 橘红皮 |
| TCMH1184 | Citrus reticulata | Ju Pi | 橘皮 |
| TCMH1255 | Tripterygium wilfordii | Lei Gong Teng | 雷公藤 |
| TCMH1296 | Ganoderma lucidum | Ling Zhi Jin Gao | 灵芝浸膏 |
| TCMH1299 | Ganoderma lucidum | Ling Zhi(1) | 灵芝 |
| TCMH132 | Scutellaria barbata | Ban Zhi Lian | 半枝莲 |
Showing 1 to 10 of 48 entries
Ingredient ID: TCMC1609
Formula: C15H10O8
Ingredient ID: TCMC1609
| Common Name | Myricetin |
| IUPAC Name | 3,5,7-trihydroxy-2-(3,4,5-trihydroxyphenyl)chromen-4-one |
| Canonical SMILES | Oc1cc(O)c2c(c1)oc(c(c2=O)O)c1cc(O)c(c(c1)O)O |
| Standard InCHI | InChI=1S/C15H10O8/c16-6-3-7(17)11-10(4-6)23-15(14(22)13(11)21)5-1-8(18)12(20)9(19)2-5/h1-4,16-20,22H |
| Standard InCHIKey | IKMDFBPHZNJCSN-UHFFFAOYSA-N |
| External Identifiers | ChEMBL [CHEMBL164]; PubChem [5281672]; |
| Reference of Component-Ingredient Pair | 25349334 |
Occurrence of the ingredient across TCM components
| Component ID | Latin Name | Pinyin Name | Chinese Name |
|---|---|---|---|
| TCMH1121 | Cardiospermum halicacabum | Jin Si Ku Lian | 金丝苦楝 |
| TCMH114 | Platycladus orientalis | Bai Ye | 柏叶 |
| TCMH1181 | Chrysanthemum morifolium | Ju Hua | 菊花 |
| TCMH1275 | Nelumbo nucifera | Lian Zi | 莲子 |
| TCMH1276 | Nelumbo nucifera | Lian Zi Xin | 莲子心 |
| TCMH1296 | Ganoderma lucidum | Ling Zhi Jin Gao | 灵芝浸膏 |
| TCMH1299 | Ganoderma lucidum | Ling Zhi(1) | 灵芝 |
| TCMH1305 | Laggera alata | Liu Ling Ju | 六棱菊 |
| TCMH1322 | Solanum nigrum | Long Kui | 龙葵 |
| TCMH1348 | Liquidambar formosana | Lu Lu Tong | 路路通 |
Showing 1 to 10 of 62 entries
Ingredient ID: TCMC1597
Formula: C15H10O7
Ingredient ID: TCMC1597
| Common Name | Morin |
| IUPAC Name | 2-(2,4-dihydroxyphenyl)-3,5,7-trihydroxychromen-4-one |
| Canonical SMILES | Oc1ccc(c(c1)O)c1oc2cc(O)cc(c2c(=O)c1O)O |
| Standard InCHI | InChI=1S/C15H10O7/c16-6-1-2-8(9(18)3-6)15-14(21)13(20)12-10(19)4-7(17)5-11(12)22-15/h1-5,16-19,21H |
| Standard InCHIKey | YXOLAZRVSSWPPT-UHFFFAOYSA-N |
| External Identifiers | ChEMBL [CHEMBL28626]; PubChem [5281670]; |
| Reference of Component-Ingredient Pair | 28689916 |
Occurrence of the ingredient across TCM components
| Component ID | Latin Name | Pinyin Name | Chinese Name |
|---|---|---|---|
| TCMH1181 | Chrysanthemum morifolium | Ju Hua | 菊花 |
| TCMH1296 | Ganoderma lucidum | Ling Zhi Jin Gao | 灵芝浸膏 |
| TCMH1299 | Ganoderma lucidum | Ling Zhi(1) | 灵芝 |
| TCMH1462 | Moschus moschiferus | Mao She Xiang | 毛麝香 |
| TCMH1463 | Moschus moschiferus | Mao She Xiang Jin Gao | 毛麝香浸膏 |
| TCMH1717 | Moschus moschiferus | Ren Gong She Xiang | 人工麝香 |
| TCMH1790 | Cortex mori radicis praeparata | Sang Bai Pi Liu Jin Gao | 桑白皮流浸膏 |
| TCMH1792 | Morus alba | Sang Pi | 桑皮 |
| TCMH1794 | Morus alba | Sang Shen | 桑葚 |
| TCMH1795 | Morus alba | Sang Shen Jin Gao | 桑葚浸膏 |
Showing 1 to 10 of 20 entries
Ingredient ID: TCMC1582
Formula: C8H8O3
Ingredient ID: TCMC1582
| Common Name | Methylparaben |
| IUPAC Name | methyl 4-hydroxybenzoate |
| Canonical SMILES | COC(=O)c1ccc(cc1)O |
| Standard InCHI | InChI=1S/C8H8O3/c1-11-8(10)6-2-4-7(9)5-3-6/h2-5,9H,1H3 |
| Standard InCHIKey | LXCFILQKKLGQFO-UHFFFAOYSA-N |
| External Identifiers | ChEMBL [CHEMBL325372]; PubChem [7456]; |
| Reference of Component-Ingredient Pair | N/A |
Occurrence of the ingredient across TCM components
| Component ID | Latin Name | Pinyin Name | Chinese Name |
|---|---|---|---|
| TCMH1105 | Trollius chinensis | Jin Lian Hua | 金莲花 |
| TCMH1122 | Psammosilene tunicoides | Jin Tie Suo | 金铁锁 |
| TCMH1278 | Radix zanthoxyli | Liang Mian Zhen | 两面针 |
| TCMH1296 | Ganoderma lucidum | Ling Zhi Jin Gao | 灵芝浸膏 |
| TCMH1299 | Ganoderma lucidum | Ling Zhi(1) | 灵芝 |
| TCMH1305 | Laggera alata | Liu Ling Ju | 六棱菊 |
| TCMH1539 | Cucurbita moschata | Nan Gua | 南瓜 |
| TCMH1628 | Fructus psoraleae corylifoliae | Po Gu Zhi | 破故纸 |
| TCMH1734 | Homo sapiens | Ren Zhong Bai | 人中白 |
| TCMH213 | Boschniakia rossica | Cao Cong Rong | 草苁蓉 |
Showing 1 to 10 of 22 entries
Ingredient ID: TCMC1561
Formula: C31H46O7
Ingredient ID: TCMC1561
| Common Name | Methyl Ganoderate A |
| IUPAC Name | methyl (6R)-6-[(5R,7S,10S,13R,14R,15S,17R)-7,15-dihydroxy-4,4,10,13,14-pentamethyl-3,11-dioxo-2,5,6,7,12,15,16,17-octahydro-1H-cyclopenta[a]phenanthren-17-yl]-2-methyl-4-oxoheptanoate |
| Canonical SMILES | COC(=O)C(CC(=O)C[C@H]([C@H]1C[C@@H]([C@@]2([C@]1(C)CC(=O)C1=C2[C@@H](O)C[C@@H]2[C@]1(C)CCC(=O)C2(C)C)C)O)C)C |
| Standard InCHI | InChI=1S/C31H46O7/c1-16(11-18(32)12-17(2)27(37)38-8)19-13-24(36)31(7)26-20(33)14-22-28(3,4)23(35)9-10-29(22,5)25(26)21(34)15-30(19,31)6/h16-17,19-20,22,24,33,36H,9-15H2,1-8H3/t16-,17?,19-,20+,22+,24+,29+,30-,31+/m1/s1 |
| Standard InCHIKey | GBFBBVYGZAABTI-LEEGDDNGSA-N |
| External Identifiers | ChEMBL [CHEMBL1086927]; PubChem [21632954]; |
| Reference of Component-Ingredient Pair | N/A |
Occurrence of the ingredient across TCM components
Ingredient ID: TCMC1535
Formula: C6H14O6
Ingredient ID: TCMC1535
| Common Name | Mannitol |
| IUPAC Name | (2R,3R,4R,5R)-hexane-1,2,3,4,5,6-hexol |
| Canonical SMILES | OC[C@H]([C@H]([C@@H]([C@@H](CO)O)O)O)O |
| Standard InCHI | InChI=1S/C6H14O6/c7-1-3(9)5(11)6(12)4(10)2-8/h3-12H,1-2H2/t3-,4-,5-,6-/m1/s1 |
| Standard InCHIKey | FBPFZTCFMRRESA-KVTDHHQDSA-N |
| External Identifiers | ChEMBL [CHEMBL689]; PubChem [6251]; |
| Reference of Component-Ingredient Pair | 29968805 |
Occurrence of the ingredient across TCM components
| Component ID | Latin Name | Pinyin Name | Chinese Name |
|---|---|---|---|
| TCMH1008 | Pogostemon cablin | Huo Xiang | 藿香 |
| TCMH1009 | Pogostemon cablin | Huo Xiang Ye | 藿香叶 |
| TCMH1033 | Centella asiatica | Ji Xue Cao | 积雪草 |
| TCMH1111 | Polygala glomerata | Jin Niu Cao | 金牛草 |
| TCMH1121 | Cardiospermum halicacabum | Jin Si Ku Lian | 金丝苦楝 |
| TCMH1155 | Allium tuberosum | Jiu Cai | 韭菜 |
| TCMH1176 | Allium tuberosum | Jiu Zi | 韭子 |
| TCMH1197 | Selaginella tamariscina | Juan Bai | 卷柏 |
| TCMH1226 | Laminaria japonica | Kun Bu | 昆布 |
| TCMH1285 | Orobanche coerulescens | Lie Dang | 列当 |
Showing 1 to 10 of 63 entries
Ingredient ID: TCMC1515
Formula: C30H50O
Ingredient ID: TCMC1515
| Common Name | Lupeol |
| IUPAC Name | (1R,3aR,5aR,5bR,7aR,9S,11aR,11bR,13aR,13bR)-3a,5a,5b,8,8,11a-hexamethyl-1-prop-1-en-2-yl-1,2,3,4,5,6,7,7a,9,10,11,11b,12,13,13a,13b-hexadecahydrocyclopenta[a]chrysen-9-ol |
| Canonical SMILES | CC(=C)[C@@H]1CC[C@]2([C@H]1[C@H]1CC[C@H]3[C@@]([C@]1(C)CC2)(C)CC[C@@H]1[C@]3(C)CC[C@@H](C1(C)C)O)C |
| Standard InCHI | InChI=1S/C30H50O/c1-19(2)20-11-14-27(5)17-18-29(7)21(25(20)27)9-10-23-28(6)15-13-24(31)26(3,4)22(28)12-16-30(23,29)8/h20-25,31H,1,9-18H2,2-8H3/t20-,21+,22-,23+,24-,25+,27+,28-,29+,30+/m0/s1 |
| Standard InCHIKey | MQYXUWHLBZFQQO-QGTGJCAVSA-N |
| External Identifiers | ChEMBL [CHEMBL289191]; PubChem [259846]; |
| Reference of Component-Ingredient Pair | 22898386 |
Occurrence of the ingredient across TCM components
| Component ID | Latin Name | Pinyin Name | Chinese Name |
|---|---|---|---|
| TCMH1033 | Centella asiatica | Ji Xue Cao | 积雪草 |
| TCMH1096 | Inula japonica | Jin Fei Cao | 金沸草 |
| TCMH1121 | Cardiospermum halicacabum | Jin Si Ku Lian | 金丝苦楝 |
| TCMH1215 | Sophora flavescens | Ku Shen | 苦参 |
| TCMH123 | Pteris semipinnata | Ban Bian Qi | 半边旗 |
| TCMH1296 | Ganoderma lucidum | Ling Zhi Jin Gao | 灵芝浸膏 |
| TCMH1299 | Ganoderma lucidum | Ling Zhi(1) | 灵芝 |
| TCMH1396 | Portulaca oleracea | Ma Chi Xian | 马齿苋 |
| TCMH143 | Albizia julibrissin | Bei He Huan | 北合欢 |
| TCMH1431 | Vitex trifolia | Man Jing Ye | 蔓荆叶 |
Showing 1 to 10 of 60 entries
Ingredient ID: TCMC1495
Formula: C18H32O2
Ingredient ID: TCMC1495
| Common Name | Linoleic Acid |
| IUPAC Name | (9Z,12Z)-octadeca-9,12-dienoic acid |
| Canonical SMILES | CCCCC/C=CC/C=CCCCCCCCC(=O)O |
| Standard InCHI | InChI=1S/C18H32O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20/h6-7,9-10H,2-5,8,11-17H2,1H3,(H,19,20)/b7-6-,10-9- |
| Standard InCHIKey | OYHQOLUKZRVURQ-HZJYTTRNSA-N |
| External Identifiers | ChEMBL [CHEMBL267476]; PubChem [5280450]; |
| Reference of Component-Ingredient Pair | 29968805 |
Occurrence of the ingredient across TCM components
| Component ID | Latin Name | Pinyin Name | Chinese Name |
|---|---|---|---|
| TCMH1000 | Foeniculum vulgare | Hui Xiang | 茴香 |
| TCMH1005 | Cannabis sativa | Huo Ma Ren | 火麻仁 |
| TCMH1008 | Pogostemon cablin | Huo Xiang | 藿香 |
| TCMH1009 | Pogostemon cablin | Huo Xiang Ye | 藿香叶 |
| TCMH1022 | Celosia cristata | Ji Guan Hua | 鸡冠花 |
| TCMH1063 | Curcuma longa | Jiang Huang | 姜黄 |
| TCMH108 | Perilla frutescens | Bai Su Zi | 白苏子 |
| TCMH1105 | Trollius chinensis | Jin Lian Hua | 金莲花 |
| TCMH1111 | Polygala glomerata | Jin Niu Cao | 金牛草 |
| TCMH1118 | Lygodium japonicum | Jin Sha Teng | 金沙藤 |
Showing 1 to 10 of 216 entries
Ingredient ID: TCMC1459
Formula: C3H7NO2
Ingredient ID: TCMC1459
| Common Name | L-Alanine |
| IUPAC Name | (2S)-2-aminopropanoic acid |
| Canonical SMILES | C[C@@H](C(=O)O)N |
| Standard InCHI | InChI=1S/C3H7NO2/c1-2(4)3(5)6/h2H,4H2,1H3,(H,5,6)/t2-/m0/s1 |
| Standard InCHIKey | QNAYBMKLOCPYGJ-REOHCLBHSA-N |
| External Identifiers | ChEMBL [CHEMBL279597]; PubChem [5950]; |
| Reference of Component-Ingredient Pair | N/A |
Occurrence of the ingredient across TCM components
| Component ID | Latin Name | Pinyin Name | Chinese Name |
|---|---|---|---|
| TCMH1008 | Pogostemon cablin | Huo Xiang | 藿香 |
| TCMH1009 | Pogostemon cablin | Huo Xiang Ye | 藿香叶 |
| TCMH1090 | Brassica juncea | Jie Zi | 芥子 |
| TCMH1175 | Cornus officinalis | Jiu Yu Rou | 酒萸肉 |
| TCMH1223 | Tussilago farfara | Kuan Dong Hua | 款冬花 |
| TCMH1294 | Cornu saigae tataricae | Ling Yang Jiao | 羚羊角 |
| TCMH1296 | Ganoderma lucidum | Ling Zhi Jin Gao | 灵芝浸膏 |
| TCMH1299 | Ganoderma lucidum | Ling Zhi(1) | 灵芝 |
| TCMH130 | Pinellia ternata | Ban Xia | 半夏 |
| TCMH131 | Pinellia ternata | Ban Xia Qu | 半夏曲 |
Showing 1 to 10 of 48 entries
Ingredient ID: TCMC1429
Formula: C15H10O6
Ingredient ID: TCMC1429
| Common Name | Kaempferol |
| IUPAC Name | 3,5,7-trihydroxy-2-(4-hydroxyphenyl)chromen-4-one |
| Canonical SMILES | Oc1ccc(cc1)c1oc2cc(O)cc(c2c(=O)c1O)O |
| Standard InCHI | InChI=1S/C15H10O6/c16-8-3-1-7(2-4-8)15-14(20)13(19)12-10(18)5-9(17)6-11(12)21-15/h1-6,16-18,20H |
| Standard InCHIKey | IYRMWMYZSQPJKC-UHFFFAOYSA-N |
| External Identifiers | ChEMBL [CHEMBL150]; PubChem [5280863]; |
| Reference of Component-Ingredient Pair | 29162470 |
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 |
| TCMH103 | Thesium chinense | Bai Rui Cao | 百蕊草 |
| 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 |
| TCMH1127 | Lonicera japonica | Jin Yin Hua | 金银花 |
| TCMH1128 | Lonicera japonica | Jin Yin Hua Ti Qu Ye | 金银花提取液 |
Showing 1 to 10 of 188 entries
Ingredient ID: TCMC1389
Formula: C10H12O2
Ingredient ID: TCMC1389
| Common Name | Isoeugenol |
| IUPAC Name | 2-methoxy-4-[(E)-prop-1-enyl]phenol |
| Canonical SMILES | C/C=C/c1ccc(c(c1)OC)O |
| Standard InCHI | InChI=1S/C10H12O2/c1-3-4-8-5-6-9(11)10(7-8)12-2/h3-7,11H,1-2H3/b4-3+ |
| Standard InCHIKey | BJIOGJUNALELMI-ONEGZZNKSA-N |
| External Identifiers | ChEMBL [CHEMBL193598]; PubChem [853433]; |
| Reference of Component-Ingredient Pair | 27986436 |
Occurrence of the ingredient across TCM components
| Component ID | Latin Name | Pinyin Name | Chinese Name |
|---|---|---|---|
| TCMH1063 | Curcuma longa | Jiang Huang | 姜黄 |
| TCMH1175 | Cornus officinalis | Jiu Yu Rou | 酒萸肉 |
| TCMH120 | Atractylodes macrocephala | Bai Zhu | 白术 |
| TCMH1296 | Ganoderma lucidum | Ling Zhi Jin Gao | 灵芝浸膏 |
| TCMH1299 | Ganoderma lucidum | Ling Zhi(1) | 灵芝 |
| TCMH1343 | Aloe vera | Lu Hui | 芦荟 |
| TCMH1367 | Apocynum venetum | Luo Bu Ma | 罗布麻 |
| TCMH1396 | Portulaca oleracea | Ma Chi Xian | 马齿苋 |
| TCMH1734 | Homo sapiens | Ren Zhong Bai | 人中白 |
| TCMH1741 | Myristica fragrans | Rou Dou Kou | 肉豆蔻 |
Showing 1 to 10 of 39 entries
Ingredient ID: TCMC1373
Formula: C10H12N4O5
Ingredient ID: TCMC1373
| Common Name | Inosine |
| IUPAC Name | 9-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-3H-purin-6-one |
| Canonical SMILES | OC[C@H]1O[C@H]([C@@H]([C@@H]1O)O)n1cnc2c1ncnc2O |
| Standard InCHI | InChI=1S/C10H12N4O5/c15-1-4-6(16)7(17)10(19-4)14-3-13-5-8(14)11-2-12-9(5)18/h2-4,6-7,10,15-17H,1H2,(H,11,12,18)/t4-,6-,7-,10-/m1/s1 |
| Standard InCHIKey | UGQMRVRMYYASKQ-KQYNXXCUSA-N |
| External Identifiers | ChEMBL [CHEMBL1556]; PubChem [6021]; |
| Reference of Component-Ingredient Pair | N/A |
Occurrence of the ingredient across TCM components
| Component ID | Latin Name | Pinyin Name | Chinese Name |
|---|---|---|---|
| TCMH1036 | Spatholobus suberectus | Ji Xue Teng | 鸡血藤 |
| TCMH1037 | Spatholobus suberectus | Ji Xue Teng Gan Gao | 鸡血藤干膏 |
| TCMH1038 | Spatholobus suberectus | Ji Xue Teng Gao | 鸡血藤膏 |
| TCMH1296 | Ganoderma lucidum | Ling Zhi Jin Gao | 灵芝浸膏 |
| TCMH1299 | Ganoderma lucidum | Ling Zhi(1) | 灵芝 |
| TCMH130 | Pinellia ternata | Ban Xia | 半夏 |
| TCMH131 | Pinellia ternata | Ban Xia Qu | 半夏曲 |
| TCMH1626 | Fritillaria ussuriensis | Ping Bei Mu | 平贝母 |
| TCMH1677 | Pinellia ternata | Qing Ban Xia | 清半夏 |
| TCMH1734 | Homo sapiens | Ren Zhong Bai | 人中白 |
Showing 1 to 10 of 20 entries
Ingredient ID: TCMC1358
Formula: C5H4N4O
Ingredient ID: TCMC1358
| Common Name | Hypoxanthine |
| IUPAC Name | 3,7-dihydropurin-6-one |
| Canonical SMILES | Oc1ncnc2c1nc[nH]2 |
| Standard InCHI | InChI=1S/C5H4N4O/c10-5-3-4(7-1-6-3)8-2-9-5/h1-2H,(H2,6,7,8,9,10) |
| Standard InCHIKey | FDGQSTZJBFJUBT-UHFFFAOYSA-N |
| External Identifiers | ChEMBL [CHEMBL1427]; PubChem [790]; |
| Reference of Component-Ingredient Pair | N/A |
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 |
| TCMH1296 | Ganoderma lucidum | Ling Zhi Jin Gao | 灵芝浸膏 |
| TCMH1299 | Ganoderma lucidum | Ling Zhi(1) | 灵芝 |
| TCMH1343 | Aloe vera | Lu Hui | 芦荟 |
| TCMH1734 | Homo sapiens | Ren Zhong Bai | 人中白 |
| TCMH1966 | Rehmannia glutinosa | Shu Di Huang | 熟地黄 |
| TCMH2590 | Pinellia pedatisecta | Zhang Ye Ban Xia | 掌叶半夏 |
| TCMH2703 | Fritillaria unibracteata | Zi Bei Mu | 紫贝母 |
| TCMH2710 | Homo sapiens | Zi He Che | 紫河车 |
Showing 1 to 10 of 18 entries
Ingredient ID: TCMC1320
Formula: C16H14O6
Ingredient ID: TCMC1320
| Common Name | Hesperetin |
| IUPAC Name | (2S)-5,7-dihydroxy-2-(3-hydroxy-4-methoxyphenyl)-2,3-dihydrochromen-4-one |
| Canonical SMILES | COc1ccc(cc1O)[C@@H]1CC(=O)c2c(O1)cc(cc2O)O |
| Standard InCHI | InChI=1S/C16H14O6/c1-21-13-3-2-8(4-10(13)18)14-7-12(20)16-11(19)5-9(17)6-15(16)22-14/h2-6,14,17-19H,7H2,1H3/t14-/m0/s1 |
| Standard InCHIKey | AIONOLUJZLIMTK-AWEZNQCLSA-N |
| External Identifiers | ChEMBL [CHEMBL399121]; PubChem [72281]; |
| Reference of Component-Ingredient Pair | 22967624 |
Occurrence of the ingredient across TCM components
| Component ID | Latin Name | Pinyin Name | Chinese Name |
|---|---|---|---|
| TCMH1141 | Schizonepeta tenuifolia | Jing Jie | 荆芥 |
| TCMH1142 | Schizonepetae spica | Jing Jie Sui | 荆芥穗 |
| TCMH1178 | Citrus reticulata | Ju He | 橘核 |
| TCMH1184 | Citrus reticulata | Ju Pi | 橘皮 |
| TCMH1215 | Sophora flavescens | Ku Shen | 苦参 |
| TCMH126 | Isatis indigotica | Ban Lan | 板蓝 |
| TCMH127 | Isatis indigotica | Ban Lan Gen | 板蓝根 |
| TCMH1296 | Ganoderma lucidum | Ling Zhi Jin Gao | 灵芝浸膏 |
| TCMH1299 | Ganoderma lucidum | Ling Zhi(1) | 灵芝 |
| TCMH1322 | Solanum nigrum | Long Kui | 龙葵 |
Showing 1 to 10 of 28 entries
Ingredient ID: TCMC1298
Formula: C10H13N5O5
Ingredient ID: TCMC1298
| Common Name | Guanosine |
| IUPAC Name | 2-amino-9-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-3H-purin-6-one |
| Canonical SMILES | OC[C@H]1O[C@H]([C@@H]([C@@H]1O)O)n1cnc2c1[nH]c(=N)nc2O |
| Standard InCHI | InChI=1S/C10H13N5O5/c11-10-13-7-4(8(19)14-10)12-2-15(7)9-6(18)5(17)3(1-16)20-9/h2-3,5-6,9,16-18H,1H2,(H3,11,13,14,19)/t3-,5-,6-,9-/m1/s1 |
| Standard InCHIKey | NYHBQMYGNKIUIF-UUOKFMHZSA-N |
| External Identifiers | ChEMBL [CHEMBL375655]; PubChem [6802]; |
| Reference of Component-Ingredient Pair | N/A |
Occurrence of the ingredient across TCM components
| Component ID | Latin Name | Pinyin Name | Chinese Name |
|---|---|---|---|
| TCMH1008 | Pogostemon cablin | Huo Xiang | 藿香 |
| TCMH1009 | Pogostemon cablin | Huo Xiang Ye | 藿香叶 |
| TCMH1127 | Lonicera japonica | Jin Yin Hua | 金银花 |
| TCMH1128 | Lonicera japonica | Jin Yin Hua Ti Qu Ye | 金银花提取液 |
| TCMH1197 | Selaginella tamariscina | Juan Bai | 卷柏 |
| TCMH1296 | Ganoderma lucidum | Ling Zhi Jin Gao | 灵芝浸膏 |
| TCMH1299 | Ganoderma lucidum | Ling Zhi(1) | 灵芝 |
| TCMH130 | Pinellia ternata | Ban Xia | 半夏 |
| TCMH131 | Pinellia ternata | Ban Xia Qu | 半夏曲 |
| TCMH1423 | Ophiopogon japonicus | Mai Dong | 麦冬 |
Showing 1 to 10 of 56 entries
Ingredient ID: TCMC1297
Formula: C5H5N5O
Ingredient ID: TCMC1297
| Common Name | Guanine |
| IUPAC Name | 2-amino-3,7-dihydropurin-6-one |
| Canonical SMILES | N=c1nc(O)c2c([nH]1)[nH]cn2 |
| Standard InCHI | InChI=1S/C5H5N5O/c6-5-9-3-2(4(11)10-5)7-1-8-3/h1H,(H4,6,7,8,9,10,11) |
| Standard InCHIKey | UYTPUPDQBNUYGX-UHFFFAOYSA-N |
| External Identifiers | ChEMBL [CHEMBL219568]; PubChem [764]; |
| Reference of Component-Ingredient Pair | N/A |
Occurrence of the ingredient across TCM components
| Component ID | Latin Name | Pinyin Name | Chinese Name |
|---|---|---|---|
| TCMH1296 | Ganoderma lucidum | Ling Zhi Jin Gao | 灵芝浸膏 |
| TCMH1299 | Ganoderma lucidum | Ling Zhi(1) | 灵芝 |
| TCMH1626 | Fritillaria ussuriensis | Ping Bei Mu | 平贝母 |
| TCMH1734 | Homo sapiens | Ren Zhong Bai | 人中白 |
| TCMH2261 | Fritillaria thunbergii | Xiang Bei | 象贝 |
| TCMH2469 | Fritillaria pallidiflora | Yi Bei Mu | 伊贝母 |
| TCMH2703 | Fritillaria unibracteata | Zi Bei Mu | 紫贝母 |
| TCMH2710 | Homo sapiens | Zi He Che | 紫河车 |
| TCMH273 | Fritillaria cirrhosa | Chuan Bei Mu | 川贝母 |
| TCMH274 | Fritillaria cirrhosa | Chuan Bei Mu Liu Jin Gao | 川贝母流浸膏 |
Showing 1 to 10 of 12 entries
Ingredient ID: TCMC1237
Formula: C7H6O4
Ingredient ID: TCMC1237
| Common Name | Gentisic Acid |
| IUPAC Name | 2,5-dihydroxybenzoic acid |
| Canonical SMILES | Oc1ccc(c(c1)C(=O)O)O |
| Standard InCHI | InChI=1S/C7H6O4/c8-4-1-2-6(9)5(3-4)7(10)11/h1-3,8-9H,(H,10,11) |
| Standard InCHIKey | WXTMDXOMEHJXQO-UHFFFAOYSA-N |
| External Identifiers | ChEMBL [CHEMBL1461]; PubChem [3469]; |
| Reference of Component-Ingredient Pair | 22476602 |
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 |
| TCMH1033 | Centella asiatica | Ji Xue Cao | 积雪草 |
| TCMH1296 | Ganoderma lucidum | Ling Zhi Jin Gao | 灵芝浸膏 |
| TCMH1299 | Ganoderma lucidum | Ling Zhi(1) | 灵芝 |
| TCMH1322 | Solanum nigrum | Long Kui | 龙葵 |
| TCMH1343 | Aloe vera | Lu Hui | 芦荟 |
| TCMH1446 | Vaccinium oxycoccos | Man Yue Mei | 蔓越莓 |
| TCMH1466 | Rosa rugosa | Mei Gui Hua | 玫瑰花 |
| TCMH1518 | Chaenomeles sinensis | Mu Gua | 木瓜 |
Showing 1 to 10 of 30 entries
Ingredient ID: TCMC1227
Formula: C30H48O2
Ingredient ID: TCMC1227
| Common Name | Ganoderol B |
| IUPAC Name | (3S,5R,10S,13R,14R,17R)-17-[(E,2R)-7-hydroxy-6-methylhept-5-en-2-yl]-4,4,10,13,14-pentamethyl-2,3,5,6,12,15,16,17-octahydro-1H-cyclopenta[a]phenanthren-3-ol |
| Canonical SMILES | OC/C(=C/CC[C@H]([C@H]1CC[C@@]2([C@]1(C)CC=C1C2=CC[C@@H]2[C@]1(C)CC[C@@H](C2(C)C)O)C)C)/C |
| Standard InCHI | InChI=1S/C30H48O2/c1-20(19-31)9-8-10-21(2)22-13-17-30(7)24-11-12-25-27(3,4)26(32)15-16-28(25,5)23(24)14-18-29(22,30)6/h9,11,14,21-22,25-26,31-32H,8,10,12-13,15-19H2,1-7H3/b20-9+/t21-,22-,25+,26+,28-,29-,30+/m1/s1 |
| Standard InCHIKey | AOXXVRDKZLRGTJ-AZIDVCJLSA-N |
| External Identifiers | ChEMBL [CHEMBL240972]; PubChem [13934286]; |
| Reference of Component-Ingredient Pair | 17499997 |
Occurrence of the ingredient across TCM components
Ingredient ID: TCMC1226
Formula: C30H46O3
Ingredient ID: TCMC1226
| Common Name | Ganoderiol F |
| IUPAC Name | (5R,10S,13R,14R,17R)-17-[(2R)-7-hydroxy-6-(hydroxymethyl)hept-5-en-2-yl]-4,4,10,13,14-pentamethyl-1,2,5,6,12,15,16,17-octahydrocyclopenta[a]phenanthren-3-one |
| Canonical SMILES | OCC(=CCC[C@H]([C@H]1CC[C@@]2([C@]1(C)CC=C1C2=CC[C@@H]2[C@]1(C)CCC(=O)C2(C)C)C)C)CO |
| Standard InCHI | InChI=1S/C30H46O3/c1-20(8-7-9-21(18-31)19-32)22-12-16-30(6)24-10-11-25-27(2,3)26(33)14-15-28(25,4)23(24)13-17-29(22,30)5/h9-10,13,20,22,25,31-32H,7-8,11-12,14-19H2,1-6H3/t20-,22-,25+,28-,29-,30+/m1/s1 |
| Standard InCHIKey | JVGJXXNUVVQEIG-MCKXIFHVSA-N |
| External Identifiers | ChEMBL [CHEMBL1915761]; PubChem [471008]; |
| Reference of Component-Ingredient Pair | 9862140 |
Occurrence of the ingredient across TCM components
Ingredient ID: TCMC1225
Formula: C32H46O9
Ingredient ID: TCMC1225
| Common Name | Ganoderic Acid K |
| IUPAC Name | (6R)-6-[(3S,5R,7S,10S,12S,13R,14R,17R)-12-acetyloxy-3,7-dihydroxy-4,4,10,13,14-pentamethyl-11,15-dioxo-2,3,5,6,7,12,16,17-octahydro-1H-cyclopenta[a]phenanthren-17-yl]-2-methyl-4-oxoheptanoic acid |
| Canonical SMILES | O=C(CC(C(=O)O)C)C[C@H]([C@H]1CC(=O)[C@@]2([C@]1(C)[C@H](OC(=O)C)C(=O)C1=C2[C@@H](O)C[C@@H]2[C@]1(C)CC[C@@H](C2(C)C)O)C)C |
| Standard InCHI | InChI=1S/C32H46O9/c1-15(11-18(34)12-16(2)28(39)40)19-13-23(37)32(8)24-20(35)14-21-29(4,5)22(36)9-10-30(21,6)25(24)26(38)27(31(19,32)7)41-17(3)33/h15-16,19-22,27,35-36H,9-14H2,1-8H3,(H,39,40)/t15-,16?,19-,20+,21+,22+,27-,30+,31+,32+/m1/s1 |
| Standard InCHIKey | OEHYQHPDUCRLMW-BHYSALSHSA-N |
| External Identifiers | ChEMBL [CHEMBL1922177]; PubChem [57403756]; |
| Reference of Component-Ingredient Pair | N/A |
Occurrence of the ingredient across TCM components
Ingredient ID: TCMC1224
Formula: C30H42O7
Ingredient ID: TCMC1224
| Common Name | Ganoderic Acid J |
| IUPAC Name | (6R)-6-[(5R,10S,13R,14R,15S,17R)-15-hydroxy-4,4,10,13,14-pentamethyl-3,7,11-trioxo-1,2,5,6,12,15,16,17-octahydrocyclopenta[a]phenanthren-17-yl]-2-methyl-4-oxoheptanoic acid |
| Canonical SMILES | O=C(CC(C(=O)O)C)C[C@H]([C@H]1C[C@@H]([C@@]2([C@]1(C)CC(=O)C1=C2C(=O)C[C@@H]2[C@]1(C)CCC(=O)C2(C)C)C)O)C |
| Standard InCHI | InChI=1S/C30H42O7/c1-15(10-17(31)11-16(2)26(36)37)18-12-23(35)30(7)25-19(32)13-21-27(3,4)22(34)8-9-28(21,5)24(25)20(33)14-29(18,30)6/h15-16,18,21,23,35H,8-14H2,1-7H3,(H,36,37)/t15-,16?,18-,21+,23+,28+,29-,30+/m1/s1 |
| Standard InCHIKey | KIJCKCLHIXLFEW-JJWHRAAESA-N |
| External Identifiers | ChEMBL [CHEMBL1922172]; PubChem [20055991]; |
| Reference of Component-Ingredient Pair | N/A |
Occurrence of the ingredient across TCM components
Ingredient ID: TCMC1223
Formula: C32H44O9
Ingredient ID: TCMC1223
| Common Name | Ganoderic Acid H |
| IUPAC Name | (6R)-6-[(3S,5R,10S,12S,13R,14R,17R)-12-acetyloxy-3-hydroxy-4,4,10,13,14-pentamethyl-7,11,15-trioxo-1,2,3,5,6,12,16,17-octahydrocyclopenta[a]phenanthren-17-yl]-2-methyl-4-oxoheptanoic acid |
| Canonical SMILES | O=C(CC(C(=O)O)C)C[C@H]([C@H]1CC(=O)[C@@]2([C@]1(C)[C@H](OC(=O)C)C(=O)C1=C2C(=O)C[C@@H]2[C@]1(C)CC[C@@H](C2(C)C)O)C)C |
| Standard InCHI | InChI=1S/C32H44O9/c1-15(11-18(34)12-16(2)28(39)40)19-13-23(37)32(8)24-20(35)14-21-29(4,5)22(36)9-10-30(21,6)25(24)26(38)27(31(19,32)7)41-17(3)33/h15-16,19,21-22,27,36H,9-14H2,1-8H3,(H,39,40)/t15-,16?,19-,21+,22+,27-,30+,31+,32+/m1/s1 |
| Standard InCHIKey | YCXUCEXEMJPDRZ-YIRLAGBYSA-N |
| External Identifiers | ChEMBL [CHEMBL1922178]; PubChem [20055989]; |
| Reference of Component-Ingredient Pair | N/A |
Occurrence of the ingredient across TCM components
Ingredient ID: TCMC1222
Formula: C30H44O8
Ingredient ID: TCMC1222
| Common Name | Ganoderic Acid G |
| IUPAC Name | (6R)-2-methyl-4-oxo-6-[(3S,5R,7S,10S,12S,13R,14R,17R)-3,7,12-trihydroxy-4,4,10,13,14-pentamethyl-11,15-dioxo-2,3,5,6,7,12,16,17-octahydro-1H-cyclopenta[a]phenanthren-17-yl]heptanoic acid |
| Canonical SMILES | O=C(CC(C(=O)O)C)C[C@H]([C@H]1CC(=O)[C@@]2([C@]1(C)[C@H](O)C(=O)C1=C2[C@@H](O)C[C@@H]2[C@]1(C)CC[C@@H](C2(C)C)O)C)C |
| Standard InCHI | InChI=1S/C30H44O8/c1-14(10-16(31)11-15(2)26(37)38)17-12-21(34)30(7)22-18(32)13-19-27(3,4)20(33)8-9-28(19,5)23(22)24(35)25(36)29(17,30)6/h14-15,17-20,25,32-33,36H,8-13H2,1-7H3,(H,37,38)/t14-,15?,17-,18+,19+,20+,25-,28+,29+,30+/m1/s1 |
| Standard InCHIKey | BPJPBLZKOVIJQD-YYFGTHFASA-N |
| External Identifiers | ChEMBL [CHEMBL1922175]; PubChem [20055988]; |
| Reference of Component-Ingredient Pair | N/A |
Occurrence of the ingredient across TCM components
Ingredient ID: TCMC1221
Formula: C32H42O9
Ingredient ID: TCMC1221
| Common Name | Ganoderic Acid F |
| IUPAC Name | (6R)-6-[(5R,10S,12S,13R,14R,17R)-12-acetyloxy-4,4,10,13,14-pentamethyl-3,7,11,15-tetraoxo-2,5,6,12,16,17-hexahydro-1H-cyclopenta[a]phenanthren-17-yl]-2-methyl-4-oxoheptanoic acid |
| Canonical SMILES | O=C(CC(C(=O)O)C)C[C@H]([C@H]1CC(=O)[C@@]2([C@]1(C)[C@H](OC(=O)C)C(=O)C1=C2C(=O)C[C@@H]2[C@]1(C)CCC(=O)C2(C)C)C)C |
| Standard InCHI | InChI=1S/C32H42O9/c1-15(11-18(34)12-16(2)28(39)40)19-13-23(37)32(8)24-20(35)14-21-29(4,5)22(36)9-10-30(21,6)25(24)26(38)27(31(19,32)7)41-17(3)33/h15-16,19,21,27H,9-14H2,1-8H3,(H,39,40)/t15-,16?,19-,21+,27-,30+,31+,32+/m1/s1 |
| Standard InCHIKey | BWCNWXLKMWWVBT-AIMUVTGPSA-N |
| External Identifiers | ChEMBL [CHEMBL453981]; PubChem [23247895]; |
| Reference of Component-Ingredient Pair | N/A |
Occurrence of the ingredient across TCM components
Ingredient ID: TCMC1220
Formula: C30H44O4
Ingredient ID: TCMC1220
| Common Name | Ganoderic Acid Dm |
| IUPAC Name | (Z,6R)-2-methyl-6-[(5R,10S,13R,14R,17R)-4,4,10,13,14-pentamethyl-3,7-dioxo-2,5,6,11,12,15,16,17-octahydro-1H-cyclopenta[a]phenanthren-17-yl]hept-2-enoic acid |
| Canonical SMILES | C[C@@H]([C@H]1CC[C@@]2([C@]1(C)CCC1=C2C(=O)C[C@@H]2[C@]1(C)CCC(=O)C2(C)C)C)CC/C=C(C(=O)O)/C |
| Standard InCHI | InChI=1S/C30H44O4/c1-18(9-8-10-19(2)26(33)34)20-11-16-30(7)25-21(12-15-29(20,30)6)28(5)14-13-24(32)27(3,4)23(28)17-22(25)31/h10,18,20,23H,8-9,11-17H2,1-7H3,(H,33,34)/b19-10-/t18-,20-,23+,28-,29-,30+/m1/s1 |
| Standard InCHIKey | ZTKZZRIVAYGFSF-YQDYMHCHSA-N |
| External Identifiers | ChEMBL [CHEMBL1099224]; PubChem [46888220]; |
| Reference of Component-Ingredient Pair | 11596326 |
Occurrence of the ingredient across TCM components
Ingredient ID: TCMC1219
Formula: C30H44O7
Ingredient ID: TCMC1219
| Common Name | Ganoderic Acid Df |
| IUPAC Name | (6R)-6-[(5R,7S,10S,11S,13R,14R,17R)-7,11-dihydroxy-4,4,10,13,14-pentamethyl-3,15-dioxo-2,5,6,7,11,12,16,17-octahydro-1H-cyclopenta[a]phenanthren-17-yl]-2-methyl-4-oxoheptanoic acid |
| Canonical SMILES | O=C(CC(C(=O)O)C)C[C@H]([C@H]1CC(=O)[C@@]2([C@]1(C)C[C@H](O)C1=C2[C@@H](O)C[C@@H]2[C@]1(C)CCC(=O)C2(C)C)C)C |
| Standard InCHI | InChI=1S/C30H44O7/c1-15(10-17(31)11-16(2)26(36)37)18-12-23(35)30(7)25-19(32)13-21-27(3,4)22(34)8-9-28(21,5)24(25)20(33)14-29(18,30)6/h15-16,18-21,32-33H,8-14H2,1-7H3,(H,36,37)/t15-,16?,18-,19+,20+,21+,28+,29-,30+/m1/s1 |
| Standard InCHIKey | MFIBBDYLQUDECT-JJHCDENKSA-N |
| External Identifiers | ChEMBL [CHEMBL1922169]; PubChem [57402147]; |
| Reference of Component-Ingredient Pair | N/A |
Occurrence of the ingredient across TCM components
Ingredient ID: TCMC1218
Formula: C30H42O7
Ingredient ID: TCMC1218
| Common Name | Ganoderic Acid D |
| IUPAC Name | (6R)-6-[(5R,7S,10S,13R,14R,17R)-7-hydroxy-4,4,10,13,14-pentamethyl-3,11,15-trioxo-1,2,5,6,7,12,16,17-octahydrocyclopenta[a]phenanthren-17-yl]-2-methyl-4-oxoheptanoic acid |
| Canonical SMILES | O=C(CC(C(=O)O)C)C[C@H]([C@H]1CC(=O)[C@@]2([C@]1(C)CC(=O)C1=C2[C@@H](O)C[C@@H]2[C@]1(C)CCC(=O)C2(C)C)C)C |
| Standard InCHI | InChI=1S/C30H42O7/c1-15(10-17(31)11-16(2)26(36)37)18-12-23(35)30(7)25-19(32)13-21-27(3,4)22(34)8-9-28(21,5)24(25)20(33)14-29(18,30)6/h15-16,18-19,21,32H,8-14H2,1-7H3,(H,36,37)/t15-,16?,18-,19+,21+,28+,29-,30+/m1/s1 |
| Standard InCHIKey | YTVGSCZIHGRVAV-IYAQLQCNSA-N |
| External Identifiers | ChEMBL [CHEMBL2205002]; PubChem [14109406]; |
| Reference of Component-Ingredient Pair | N/A |
Occurrence of the ingredient across TCM components
Ingredient ID: TCMC1217
Formula: C30H42O8
Ingredient ID: TCMC1217
| Common Name | Ganoderic Acid C6 |
| IUPAC Name | (6R)-6-[(3S,5R,10S,12S,13R,14R,17R)-3,12-dihydroxy-4,4,10,13,14-pentamethyl-7,11,15-trioxo-1,2,3,5,6,12,16,17-octahydrocyclopenta[a]phenanthren-17-yl]-2-methyl-4-oxoheptanoic acid |
| Canonical SMILES | O=C(CC(C(=O)O)C)C[C@H]([C@H]1CC(=O)[C@@]2([C@]1(C)[C@H](O)C(=O)C1=C2C(=O)C[C@@H]2[C@]1(C)CC[C@@H](C2(C)C)O)C)C |
| Standard InCHI | InChI=1S/C30H42O8/c1-14(10-16(31)11-15(2)26(37)38)17-12-21(34)30(7)22-18(32)13-19-27(3,4)20(33)8-9-28(19,5)23(22)24(35)25(36)29(17,30)6/h14-15,17,19-20,25,33,36H,8-13H2,1-7H3,(H,37,38)/t14-,15?,17-,19+,20+,25-,28+,29+,30+/m1/s1 |
| Standard InCHIKey | BTYTWXWAFWKSTA-YBFNEQRTSA-N |
| External Identifiers | ChEMBL [CHEMBL1922170]; PubChem [57396921]; |
| Reference of Component-Ingredient Pair | N/A |
Occurrence of the ingredient across TCM components
Ingredient ID: TCMC1216
Formula: C30H46O7
Ingredient ID: TCMC1216
| Common Name | Ganoderic Acid C2 |
| IUPAC Name | (2R,6R)-2-methyl-4-oxo-6-[(3S,5R,7S,10S,13R,14R,15S,17R)-3,7,15-trihydroxy-4,4,10,13,14-pentamethyl-11-oxo-1,2,3,5,6,7,12,15,16,17-decahydrocyclopenta[a]phenanthren-17-yl]heptanoic acid |
| Canonical SMILES | O=C(C[C@H](C(=O)O)C)C[C@H]([C@H]1C[C@@H]([C@@]2([C@]1(C)CC(=O)C1=C2[C@@H](O)C[C@@H]2[C@]1(C)CC[C@@H](C2(C)C)O)C)O)C |
| Standard InCHI | InChI=1S/C30H46O7/c1-15(10-17(31)11-16(2)26(36)37)18-12-23(35)30(7)25-19(32)13-21-27(3,4)22(34)8-9-28(21,5)24(25)20(33)14-29(18,30)6/h15-16,18-19,21-23,32,34-35H,8-14H2,1-7H3,(H,36,37)/t15-,16-,18-,19+,21+,22+,23+,28+,29-,30+/m1/s1 |
| Standard InCHIKey | RERVSJVGWKIGTJ-RQLZKMEDSA-N |
| External Identifiers | ChEMBL [CHEMBL1922174]; PubChem [57396771]; |
| Reference of Component-Ingredient Pair | 20379959 |
Occurrence of the ingredient across TCM components
Ingredient ID: TCMC1215
Formula: C30H44O7
Ingredient ID: TCMC1215
| Common Name | Ganoderic Acid B |
| IUPAC Name | (6R)-6-[(3S,5R,7S,10S,13R,14R,17R)-3,7-dihydroxy-4,4,10,13,14-pentamethyl-11,15-dioxo-2,3,5,6,7,12,16,17-octahydro-1H-cyclopenta[a]phenanthren-17-yl]-2-methyl-4-oxoheptanoic acid |
| Canonical SMILES | O=C(CC(C(=O)O)C)C[C@H]([C@H]1CC(=O)[C@@]2([C@]1(C)CC(=O)C1=C2[C@@H](O)C[C@@H]2[C@]1(C)CC[C@@H](C2(C)C)O)C)C |
| Standard InCHI | InChI=1S/C30H44O7/c1-15(10-17(31)11-16(2)26(36)37)18-12-23(35)30(7)25-19(32)13-21-27(3,4)22(34)8-9-28(21,5)24(25)20(33)14-29(18,30)6/h15-16,18-19,21-22,32,34H,8-14H2,1-7H3,(H,36,37)/t15-,16?,18-,19+,21+,22+,28+,29-,30+/m1/s1 |
| Standard InCHIKey | LWPLEHFGBRFRKI-BBFKVXDGSA-N |
| External Identifiers | ChEMBL [CHEMBL1087180]; PubChem [10098048]; |
| Reference of Component-Ingredient Pair | N/A |
Occurrence of the ingredient across TCM components
Ingredient ID: TCMC1214
Formula: C30H44O7
Ingredient ID: TCMC1214
| Common Name | Ganoderic Acid A |
| IUPAC Name | (2R,6R)-6-[(5R,7S,10S,13R,14R,15S,17R)-7,15-dihydroxy-4,4,10,13,14-pentamethyl-3,11-dioxo-2,5,6,7,12,15,16,17-octahydro-1H-cyclopenta[a]phenanthren-17-yl]-2-methyl-4-oxoheptanoic acid |
| Canonical SMILES | O=C(C[C@H](C(=O)O)C)C[C@H]([C@H]1C[C@@H]([C@@]2([C@]1(C)CC(=O)C1=C2[C@@H](O)C[C@@H]2[C@]1(C)CCC(=O)C2(C)C)C)O)C |
| Standard InCHI | InChI=1S/C30H44O7/c1-15(10-17(31)11-16(2)26(36)37)18-12-23(35)30(7)25-19(32)13-21-27(3,4)22(34)8-9-28(21,5)24(25)20(33)14-29(18,30)6/h15-16,18-19,21,23,32,35H,8-14H2,1-7H3,(H,36,37)/t15-,16-,18-,19+,21+,23+,28+,29-,30+/m1/s1 |
| Standard InCHIKey | DYOKDAQBNHPJFD-JNTBEZBXSA-N |
| External Identifiers | ChEMBL [CHEMBL602899]; PubChem [471002]; |
| Reference of Component-Ingredient Pair | 9862140 |
Occurrence of the ingredient across TCM components
Ingredient ID: TCMC1213
Formula: C30H42O7
Ingredient ID: TCMC1213
| Common Name | Ganoderenic Acid A |
| IUPAC Name | (E)-6-[(5R,7S,10S,13R,14R,15S,17R)-7,15-dihydroxy-4,4,10,13,14-pentamethyl-3,11-dioxo-2,5,6,7,12,15,16,17-octahydro-1H-cyclopenta[a]phenanthren-17-yl]-2-methyl-4-oxohept-5-enoic acid |
| Canonical SMILES | O=C(CC(C(=O)O)C)/C=C(/[C@H]1C[C@@H]([C@@]2([C@]1(C)CC(=O)C1=C2[C@@H](O)C[C@@H]2[C@]1(C)CCC(=O)C2(C)C)C)O)C |
| Standard InCHI | InChI=1S/C30H42O7/c1-15(10-17(31)11-16(2)26(36)37)18-12-23(35)30(7)25-19(32)13-21-27(3,4)22(34)8-9-28(21,5)24(25)20(33)14-29(18,30)6/h10,16,18-19,21,23,32,35H,8-9,11-14H2,1-7H3,(H,36,37)/b15-10+/t16?,18-,19+,21+,23+,28+,29-,30+/m1/s1 |
| Standard InCHIKey | OVUOUFPIPZJGME-JQDIJSAQSA-N |
| External Identifiers | ChEMBL [CHEMBL1922171]; PubChem [14193987]; |
| Reference of Component-Ingredient Pair | N/A |
Occurrence of the ingredient across TCM components
| Component ID | Latin Name | Pinyin Name | Chinese Name |
|---|---|---|---|
| TCMH1296 | Ganoderma lucidum | Ling Zhi Jin Gao | 灵芝浸膏 |
| TCMH1299 | Ganoderma lucidum | Ling Zhi(1) | 灵芝 |
| TCMH1475 | Glycyrrhiza uralensis | Mi Gan Cao | 蜜甘草 |
| TCMH1899 | Glycyrrhiza uralensis | Sheng Gan Cao | 生甘草 |
| TCMH2135 | Glycyrrhiza uralensis | Tu Gan Cao | 土甘草 |
| TCMH628 | Glycyrrhiza uralensis | Gan Cao | 甘草 |
| TCMH629 | Glycyrrhiza uralensis | Gan Cao Fen | 甘草粉 |
| TCMH630 | Glycyrrhiza uralensis | Gan Cao Gan Gao | 甘草干膏 |
| TCMH631 | Glycyrrhiza uralensis | Gan Cao Gan Gao Fen | 甘草干膏粉 |
| TCMH632 | Glycyrrhiza uralensis | Gan Cao Gan Jin Gao | 甘草干浸膏 |
Showing 1 to 10 of 14 entries
Ingredient ID: TCMC1202
Formula: C7H6O5
Ingredient ID: TCMC1202
| Common Name | Gallic Acid |
| IUPAC Name | 3,4,5-trihydroxybenzoic acid |
| Canonical SMILES | OC(=O)c1cc(O)c(c(c1)O)O |
| Standard InCHI | InChI=1S/C7H6O5/c8-4-1-3(7(11)12)2-5(9)6(4)10/h1-2,8-10H,(H,11,12) |
| Standard InCHIKey | LNTHITQWFMADLM-UHFFFAOYSA-N |
| External Identifiers | ChEMBL [CHEMBL288114]; PubChem [370]; |
| Reference of Component-Ingredient Pair | 23800587 |
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 |
| TCMH1033 | Centella asiatica | Ji Xue Cao | 积雪草 |
| TCMH108 | Perilla frutescens | Bai Su Zi | 白苏子 |
| TCMH1090 | Brassica juncea | Jie Zi | 芥子 |
| TCMH1121 | Cardiospermum halicacabum | Jin Si Ku Lian | 金丝苦楝 |
| TCMH1127 | Lonicera japonica | Jin Yin Hua | 金银花 |
| TCMH1128 | Lonicera japonica | Jin Yin Hua Ti Qu Ye | 金银花提取液 |
| TCMH1133 | Rosa laevigata | Jin Ying Zi | 金樱子 |
| TCMH1134 | Rosa laevigata | Jin Ying Zi Rou | 金樱子肉 |
| TCMH1135 | Rosa laevigata | Jin Ying Zi Ti Qu Ye | 金樱子提取液 |
Showing 1 to 10 of 168 entries
Ingredient ID: TCMC1186
Formula: C16H12O4
Ingredient ID: TCMC1186
| Common Name | Formononetin |
| IUPAC Name | 7-hydroxy-3-(4-methoxyphenyl)chromen-4-one |
| Canonical SMILES | COc1ccc(cc1)c1coc2c(c1=O)ccc(c2)O |
| Standard InCHI | InChI=1S/C16H12O4/c1-19-12-5-2-10(3-6-12)14-9-20-15-8-11(17)4-7-13(15)16(14)18/h2-9,17H,1H3 |
| Standard InCHIKey | HKQYGTCOTHHOMP-UHFFFAOYSA-N |
| External Identifiers | ChEMBL [CHEMBL242341]; PubChem [5280378]; |
| Reference of Component-Ingredient Pair | 28985473 |
Occurrence of the ingredient across TCM components
| Component ID | Latin Name | Pinyin Name | Chinese Name |
|---|---|---|---|
| TCMH1165 | Murraya paniculata | Jiu Li Xiang | 九里香 |
| TCMH1215 | Sophora flavescens | Ku Shen | 苦参 |
| TCMH1296 | Ganoderma lucidum | Ling Zhi Jin Gao | 灵芝浸膏 |
| TCMH1299 | Ganoderma lucidum | Ling Zhi(1) | 灵芝 |
| 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 |
| TCMH143 | Albizia julibrissin | Bei He Huan | 北合欢 |
| TCMH1475 | Glycyrrhiza uralensis | Mi Gan Cao | 蜜甘草 |
Showing 1 to 10 of 47 entries
Ingredient ID: TCMC1122
Formula: C28H44O
Ingredient ID: TCMC1122
| Common Name | Ergosterol |
| IUPAC Name | (3S,9S,10R,13R,14R,17R)-17-[(E,2R,5R)-5,6-dimethylhept-3-en-2-yl]-10,13-dimethyl-2,3,4,9,11,12,14,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-3-ol |
| Canonical SMILES | O[C@H]1CC[C@]2(C(=CC=C3[C@@H]2CC[C@]2([C@H]3CC[C@@H]2[C@@H](/C=C/[C@@H](C(C)C)C)C)C)C1)C |
| Standard InCHI | InChI=1S/C28H44O/c1-18(2)19(3)7-8-20(4)24-11-12-25-23-10-9-21-17-22(29)13-15-27(21,5)26(23)14-16-28(24,25)6/h7-10,18-20,22,24-26,29H,11-17H2,1-6H3/b8-7+/t19-,20+,22-,24+,25-,26-,27-,28+/m0/s1 |
| Standard InCHIKey | DNVPQKQSNYMLRS-APGDWVJJSA-N |
| External Identifiers | ChEMBL [CHEMBL1232562]; PubChem [444679]; |
| Reference of Component-Ingredient Pair | 11731906 |
Occurrence of the ingredient across TCM components
| Component ID | Latin Name | Pinyin Name | Chinese Name |
|---|---|---|---|
| TCMH1005 | Cannabis sativa | Huo Ma Ren | 火麻仁 |
| TCMH1296 | Ganoderma lucidum | Ling Zhi Jin Gao | 灵芝浸膏 |
| TCMH1299 | Ganoderma lucidum | Ling Zhi(1) | 灵芝 |
| TCMH1409 | Cannabis sativa | Ma Ren | 麻仁 |
| TCMH1734 | Homo sapiens | Ren Zhong Bai | 人中白 |
| TCMH1949 | Pothos chinensis | Shi Pu Teng | 石蒲藤 |
| 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 |
Showing 1 to 10 of 23 entries
Ingredient ID: TCMC1100
Formula: C20H40O2
Ingredient ID: TCMC1100
| Common Name | Elcosanoic Acid |
| IUPAC Name | icosanoic acid |
| Canonical SMILES | CCCCCCCCCCCCCCCCCCCC(=O)O |
| Standard InCHI | InChI=1S/C20H40O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20(21)22/h2-19H2,1H3,(H,21,22) |
| Standard InCHIKey | VKOBVWXKNCXXDE-UHFFFAOYSA-N |
| External Identifiers | ChEMBL [CHEMBL1173381]; PubChem [10467]; |
| 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 |
| 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 |
| TCMH1155 | Allium tuberosum | Jiu Cai | 韭菜 |
| TCMH1176 | Allium tuberosum | Jiu Zi | 韭子 |
| TCMH1178 | Citrus reticulata | Ju He | 橘核 |
| TCMH1184 | Citrus reticulata | Ju Pi | 橘皮 |
| TCMH1185 | Lycium chinense | Gou Qi | 枸杞 |
Showing 1 to 10 of 76 entries
Ingredient ID: TCMC1014
Formula: C10H13N5O4
Ingredient ID: TCMC1014
| Common Name | Deoxyguanosine |
| IUPAC Name | 2-amino-9-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-3H-purin-6-one |
| Canonical SMILES | OC[C@H]1O[C@H](C[C@@H]1O)n1cnc2c1[nH]c(=N)nc2O |
| Standard InCHI | InChI=1S/C10H13N5O4/c11-10-13-8-7(9(18)14-10)12-3-15(8)6-1-4(17)5(2-16)19-6/h3-6,16-17H,1-2H2,(H3,11,13,14,18)/t4-,5+,6+/m0/s1 |
| Standard InCHIKey | YKBGVTZYEHREMT-KVQBGUIXSA-N |
| External Identifiers | ChEMBL [CHEMBL68908]; PubChem [187790]; |
| Reference of Component-Ingredient Pair | N/A |
Occurrence of the ingredient across TCM components
Ingredient ID: TCMC1011
Formula: C10H13N5O3
Ingredient ID: TCMC1011
| Common Name | Deoxyadenosine |
| IUPAC Name | (2R,3S,5R)-5-(6-aminopurin-9-yl)-2-(hydroxymethyl)oxolan-3-ol |
| Canonical SMILES | OC[C@H]1O[C@H](C[C@@H]1O)n1cnc2c1ncnc2N |
| Standard InCHI | InChI=1S/C10H13N5O3/c11-9-8-10(13-3-12-9)15(4-14-8)7-1-5(17)6(2-16)18-7/h3-7,16-17H,1-2H2,(H2,11,12,13)/t5-,6+,7+/m0/s1 |
| Standard InCHIKey | OLXZPDWKRNYJJZ-RRKCRQDMSA-N |
| External Identifiers | ChEMBL [CHEMBL449329]; PubChem [13730]; |
| Reference of Component-Ingredient Pair | N/A |
Occurrence of the ingredient across TCM components
| Component ID | Latin Name | Pinyin Name | Chinese Name |
|---|---|---|---|
| TCMH1296 | Ganoderma lucidum | Ling Zhi Jin Gao | 灵芝浸膏 |
| TCMH1299 | Ganoderma lucidum | Ling Zhi(1) | 灵芝 |
| TCMH1734 | Homo sapiens | Ren Zhong Bai | 人中白 |
| TCMH2367 | Linum usitatissimum | Ya Ma Zi | 亚麻子 |
| TCMH2703 | Fritillaria unibracteata | Zi Bei Mu | 紫贝母 |
| TCMH2710 | Homo sapiens | Zi He Che | 紫河车 |
| TCMH273 | Fritillaria cirrhosa | Chuan Bei Mu | 川贝母 |
| TCMH274 | Fritillaria cirrhosa | Chuan Bei Mu Liu Jin Gao | 川贝母流浸膏 |
| TCMH388 | Ziziphus jujuba | Da Zao | 大枣 |
Showing 1 to 9 of 9 entries
Properties
| Ingredient ID | Formulae | Name | MW | AlogP | MlogP | XlogP | # HBA | # HBD | PSA | # Rotatable Bond | # Ring | # Heacy Atom | Lipinski RO5 Violation |
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| TCMC1011 | C10H13N5O3 | Deoxyadenosine | 251.1 | -2.0564 | 1.68 | -1.208 | 8 | 3 | 119.31 | 5 | 3 | 18 | 0 |
| TCMC1014 | C10H13N5O4 | Deoxyguanosine | 267.1 | -1.9925 | 1.57 | -1.042 | 9 | 5 | 135.98 | 5 | 3 | 19 | 0 |
| TCMC1100 | C20H40O2 | Elcosanoic Acid | 312.3 | -5.0497 | 3.44 | 9.846 | 2 | 1 | 37.3 | 20 | 0 | 22 | 2 |
| TCMC1122 | C28H44O | Ergosterol | 396.34 | 2.2555 | 4.43 | 9.499 | 1 | 1 | 20.23 | 11 | 4 | 29 | 1 |
| TCMC1186 | C16H12O4 | Formononetin | 268.07 | -1.1788 | 2.78 | 2.994 | 1 | 1 | 55.76 | 4 | 3 | 20 | 0 |
| TCMC1202 | C7H6O5 | Gallic Acid | 170.02 | -1.6207 | 1.68 | 0.002 | 2 | 4 | 97.99 | 5 | 1 | 12 | 0 |
| TCMC1213 | C30H42O7 | Ganoderenic Acid A | 514.29 | 1.2733 | 3.99 | 0.491 | 7 | 3 | 128.97 | 15 | 4 | 37 | 0 |
| TCMC1214 | C30H44O7 | Ganoderic Acid A | 516.31 | 0.7306 | 3.99 | 1.055 | 7 | 3 | 128.97 | 16 | 4 | 37 | 0 |
| TCMC1215 | C30H44O7 | Ganoderic Acid B | 516.31 | 0.187 | 3.99 | 1.872 | 7 | 3 | 128.97 | 16 | 4 | 37 | 0 |
| TCMC1216 | C30H46O7 | Ganoderic Acid C2 | 518.32 | 0.1609 | 3.99 | 1.662 | 7 | 4 | 132.13 | 17 | 4 | 37 | 0 |
Showing 1 to 10 of 146 entries
Download Data
All data can be downloaded by:→ Selecting data type in the below download table
→ Then click the download button.
