Description of the Component
Component ID |
TCMH273 |
Latin Name |
Fritillaria cirrhosa |
English Name |
Fritillaria unibracteata |
Chinese Pinyin Name |
Chuan Bei Mu |
中文名 |
川贝母 |
TCM Properties |
Minor cold,Sweet,Bitter |
TCM Meridians |
Lung,Heart |
Therapeutic Class English |
For desolving phlegm, stopping cougth, and soothing breathing |
Therapeutic Class Chinese |
化痰止咳平喘 |
Functions |
remove heat, moisten the lung, resolve phlegm and relieve cough |
Toxicity |
NA |
Geo-authentic habitats (道地产区) |
Sichuan Province,Chongqing, Gansu Province |
Reference |
Chinese Pharmacopoeia (2015) |
Barcode ID |
ITSAP3764-14 |
Barcode Source |
BOLDSYSTEMS |
TCM Prescriptions with the Component
| Prescription ID | Prescription English Name | Prescription Chinese Name |
|---|---|---|
| TCMF1017 | Yi Fei Qing Hua Ointment | 益肺清化膏 |
| TCMF1032 | Ting Bei Capsule | 葶贝胶囊 |
| TCMF1084 | Qing Yin Pills | 清音丸 |
| TCMF110 | Bai He Gu Jin Granules | 百合固金颗粒 |
| TCMF13 | Yang Yin Qing Fei Oral Liquid | 养阴清肺口服液 |
| TCMF1315 | Compound Tablet of Sichuan Fritillary Bulb | 复方川贝精片 |
| TCMF1366 | Baihe Gujin Pills | 百合固金丸 |
| TCMF186 | Er Mu Ning Sou Pills | 二母宁嗽丸 |
| TCMF2032 | Compound Tablet of Sichuan Fritillary Bulb | 复方川贝精片 |
| TCMF2138 | Powder Containing Nine Drugs; Nine Immortal Powder | 九仙散 |
Showing 1 to 10 of 219 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 |
| TCMT127 | PARP1 | Poly [ADP-ribose] polymerase-1 | Transferase | P09874 |
| TCMT128 | TNKS2 | Tankyrase-2 | Transferase | Q9H2K2 |
Showing 1 to 10 of 142 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 41 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: 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: TCMC803
Formula: C30H50O2
Ingredient ID: TCMC803
| Common Name | Betulin |
| IUPAC Name | (1R,3aS,5aR,5bR,7aR,9S,11aR,11bR,13aR,13bR)-3a-(hydroxymethyl)-5a,5b,8,8,11a-pentamethyl-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 | OC[C@@]12CC[C@H]([C@@H]2[C@@H]2[C@](CC1)(C)[C@]1(C)CC[C@@H]3[C@]([C@H]1CC2)(C)CC[C@@H](C3(C)C)O)C(=C)C |
| Standard InCHI | InChI=1S/C30H50O2/c1-19(2)20-10-15-30(18-31)17-16-28(6)21(25(20)30)8-9-23-27(5)13-12-24(32)26(3,4)22(27)11-14-29(23,28)7/h20-25,31-32H,1,8-18H2,2-7H3/t20-,21+,22-,23+,24-,25+,27-,28+,29+,30+/m0/s1 |
| Standard InCHIKey | FVWJYYTZTCVBKE-ROUWMTJPSA-N |
| External Identifiers | ChEMBL [CHEMBL23236]; PubChem [72326]; |
| Reference of Component-Ingredient Pair | 22782538 |
Occurrence of the ingredient across TCM components
| Component ID | Latin Name | Pinyin Name | Chinese Name |
|---|---|---|---|
| TCMH1039 | Kummerowia striata | Ji Yan Cao | 鸡眼草 |
| TCMH1121 | Cardiospermum halicacabum | Jin Si Ku Lian | 金丝苦楝 |
| TCMH1417 | Pinus massoniana | Ma Wei Song Gen | 马尾松根 |
| TCMH1418 | Pinus massoniana | Ma Wei Song Shu Gen | 马尾松树根 |
| TCMH1452 | Gerbera piloselloides | Mao Da Ding Cao | 毛大丁草 |
| TCMH1584 | Achyranthes bidentata | Niu Teng | 牛藤 |
| TCMH1588 | Achyranthes bidentata | Niu Xi | 牛膝 |
| TCMH1597 | Ligustrum lucidum | Nv Zhen Zi | 女贞子 |
| TCMH1643 | Syzygium jambos | Pu Tao(1) | 蒲桃 |
| TCMH1735 | Kummerowia striata | Ren Zi Cao | 人字草 |
Showing 1 to 10 of 32 entries
Ingredient ID: TCMC710
Formula: C15H10O5
Ingredient ID: TCMC710
| Common Name | Apigenin |
| IUPAC Name | 5,7-dihydroxy-2-(4-hydroxyphenyl)chromen-4-one |
| Canonical SMILES | Oc1ccc(cc1)c1cc(=O)c2c(o1)cc(cc2O)O |
| Standard InCHI | InChI=1S/C15H10O5/c16-9-3-1-8(2-4-9)13-7-12(19)15-11(18)5-10(17)6-14(15)20-13/h1-7,16-18H |
| Standard InCHIKey | KZNIFHPLKGYRTM-UHFFFAOYSA-N |
| External Identifiers | ChEMBL [CHEMBL28]; PubChem [5280443]; |
| Reference of Component-Ingredient Pair | 29162470 |
Occurrence of the ingredient across TCM components
| Component ID | Latin Name | Pinyin Name | Chinese Name |
|---|---|---|---|
| TCMH1005 | Cannabis sativa | Huo Ma Ren | 火麻仁 |
| TCMH1008 | Pogostemon cablin | Huo Xiang | 藿香 |
| TCMH1009 | Pogostemon cablin | Huo Xiang Ye | 藿香叶 |
| TCMH1033 | Centella asiatica | Ji Xue Cao | 积雪草 |
| TCMH1059 | Glycine max | Jiang | 姜 |
| TCMH1062 | Glycine max | Jiang Gao | 姜膏 |
| TCMH1067 | Glycine max | Jiang Tan | 姜炭 |
| TCMH108 | Perilla frutescens | Bai Su Zi | 白苏子 |
| TCMH1105 | Trollius chinensis | Jin Lian Hua | 金莲花 |
| TCMH1127 | Lonicera japonica | Jin Yin Hua | 金银花 |
Showing 1 to 10 of 159 entries
Ingredient ID: TCMC6330
Formula: C27H45NO3
Ingredient ID: TCMC6330
| Common Name | Korseveriline |
| IUPAC Name | (1S,2R,6R,9S,10R,11S,14R,15R,17R,18S,20R,23R,24S)-6,10,23-trimethyl-4-azahexacyclo[12.11.0.02,11.04,9.015,24.018,23]pentacosane-14,17,20-triol |
| Canonical SMILES | O[C@@H]1CC[C@]2([C@H](C1)[C@H](O)C[C@@H]1[C@@H]2C[C@@H]2[C@@]1(O)CC[C@H]1[C@H]2C[NH+]2C[C@H](C)CC[C@H]2[C@@H]1C)C |
| Standard InCHI | InChI=1S/C27H45NO3/c1-15-4-5-24-16(2)18-7-9-27(31)20(19(18)14-28(24)13-15)11-21-22(27)12-25(30)23-10-17(29)6-8-26(21,23)3/h15-25,29-31H,4-14H2,1-3H3/p+1/t15-,16-,17-,18-,19-,20+,21+,22-,23-,24+,25-,26-,27+/m1/s1 |
| Standard InCHIKey | NQGYOUYEGZOZBN-QAJIXOGVSA-O |
| External Identifiers | ChEMBL [N/A]; PubChem [16406745]; |
| Reference of Component-Ingredient Pair | N/A |
Occurrence of the ingredient across TCM components
Ingredient ID: TCMC6328
Formula: C27H45NO3
Ingredient ID: TCMC6328
| Common Name | Korseveramine |
| IUPAC Name | (1S,2R,6R,9S,10R,11S,14R,15R,17S,18S,20R,23R,24S)-6,10,23-trimethyl-4-azahexacyclo[12.11.0.02,11.04,9.015,24.018,23]pentacosane-14,17,20-triol |
| Canonical SMILES | O[C@@H]1CC[C@]2([C@H](C1)[C@@H](O)C[C@@H]1[C@@H]2C[C@@H]2[C@@]1(O)CC[C@H]1[C@H]2C[NH+]2C[C@H](C)CC[C@H]2[C@@H]1C)C |
| Standard InCHI | InChI=1S/C27H45NO3/c1-15-4-5-24-16(2)18-7-9-27(31)20(19(18)14-28(24)13-15)11-21-22(27)12-25(30)23-10-17(29)6-8-26(21,23)3/h15-25,29-31H,4-14H2,1-3H3/p+1/t15-,16-,17-,18-,19-,20+,21+,22-,23-,24+,25+,26-,27+/m1/s1 |
| Standard InCHIKey | NQGYOUYEGZOZBN-RQCVYXEASA-O |
| External Identifiers | ChEMBL [N/A]; PubChem [16395257]; |
| Reference of Component-Ingredient Pair | N/A |
Occurrence of the ingredient across TCM components
Ingredient ID: TCMC632
Formula: C10H13N5O4
Ingredient ID: TCMC632
| Common Name | Adenosine |
| IUPAC Name | (2R,3R,4S,5R)-2-(6-aminopurin-9-yl)-5-(hydroxymethyl)oxolane-3,4-diol |
| Canonical SMILES | OC[C@H]1O[C@H]([C@@H]([C@@H]1O)O)n1cnc2c1ncnc2N |
| Standard InCHI | InChI=1S/C10H13N5O4/c11-8-5-9(13-2-12-8)15(3-14-5)10-7(18)6(17)4(1-16)19-10/h2-4,6-7,10,16-18H,1H2,(H2,11,12,13)/t4-,6-,7-,10-/m1/s1 |
| Standard InCHIKey | OIRDTQYFTABQOQ-KQYNXXCUSA-N |
| External Identifiers | ChEMBL [CHEMBL477]; PubChem [60961]; |
| Reference of Component-Ingredient Pair | 29968805 |
Occurrence of the ingredient across TCM components
| Component ID | Latin Name | Pinyin Name | Chinese Name |
|---|---|---|---|
| TCMH1008 | Pogostemon cablin | Huo Xiang | 藿香 |
| TCMH1009 | Pogostemon cablin | Huo Xiang Ye | 藿香叶 |
| TCMH1127 | Lonicera japonica | Jin Yin Hua | 金银花 |
| TCMH1128 | Lonicera japonica | Jin Yin Hua Ti Qu Ye | 金银花提取液 |
| TCMH1155 | Allium tuberosum | Jiu Cai | 韭菜 |
| TCMH1176 | Allium tuberosum | Jiu Zi | 韭子 |
| TCMH1177 | Ilex cornuta | Ju Gu Ye | 枸骨叶 |
| TCMH1197 | Selaginella tamariscina | Juan Bai | 卷柏 |
| TCMH1223 | Tussilago farfara | Kuan Dong Hua | 款冬花 |
| TCMH126 | Isatis indigotica | Ban Lan | 板蓝 |
Showing 1 to 10 of 96 entries
Ingredient ID: 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: TCMC6122
Formula: C27H43NO2
Ingredient ID: TCMC6122
| Common Name | Delavinone |
| IUPAC Name | (1R,2S,6S,9S,10R,11R,14S,15S,18S,20S,23R,24S)-20-hydroxy-6,10,23-trimethyl-4-azahexacyclo[12.11.0.02,11.04,9.015,24.018,23]pentacosan-17-one |
| Canonical SMILES | O[C@H]1CC[C@]2([C@H](C1)C(=O)C[C@@H]1[C@@H]2C[C@@H]2[C@H]1CC[C@@H]1[C@H]2C[NH+]2C[C@@H](C)CC[C@H]2[C@@H]1C)C |
| Standard InCHI | InChI=1S/C27H43NO2/c1-15-4-7-25-16(2)18-5-6-19-20(22(18)14-28(25)13-15)11-23-21(19)12-26(30)24-10-17(29)8-9-27(23,24)3/h15-25,29H,4-14H2,1-3H3/p+1/t15-,16+,17-,18-,19+,20+,21-,22+,23-,24+,25-,27+/m0/s1 |
| Standard InCHIKey | MWBJDDYEYGDWCZ-ATGPSCQOSA-O |
| External Identifiers | ChEMBL [N/A]; PubChem [14240940]; |
| Reference of Component-Ingredient Pair | 2099597 |
Occurrence of the ingredient across TCM components
Ingredient ID: TCMC3966
Formula: C29H50O
Ingredient ID: TCMC3966
| Common Name | Sitosterol,Β-Sitosterol |
| IUPAC Name | (3S,8S,9S,10R,13R,14S,17R)-17-[(2R,5S)-5-ethyl-6-methylheptan-2-yl]-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-ol |
| Canonical SMILES | CC[C@H](C(C)C)CC[C@H]([C@H]1CC[C@@H]2[C@]1(C)CC[C@H]1[C@H]2CC=C2[C@]1(C)CC[C@@H](C2)O)C |
| Standard InCHI | InChI=1S/C29H50O/c1-7-21(19(2)3)9-8-20(4)25-12-13-26-24-11-10-22-18-23(30)14-16-28(22,5)27(24)15-17-29(25,26)6/h10,19-21,23-27,30H,7-9,11-18H2,1-6H3/t20-,21+,23+,24+,25-,26+,27+,28+,29-/m1/s1 |
| Standard InCHIKey | KZJWDPNRJALLNS-FBZNIEFRSA-N |
| External Identifiers | ChEMBL [CHEMBL221542]; PubChem [457801]; |
| Reference of Component-Ingredient Pair | 23115546 |
Occurrence of the ingredient across TCM components
| Component ID | Latin Name | Pinyin Name | Chinese Name |
|---|---|---|---|
| TCMH104 | Paeonia lactiflora | Bai Shao | 白芍 |
| TCMH1127 | Lonicera japonica | Jin Yin Hua | 金银花 |
| TCMH1186 | Lycium chinense | Gou Qi Zi | 枸杞子 |
| TCMH12 | Artemisia argyi | Ai Ye | 艾叶 |
| TCMH121 | Biota orientalis | Bai Zi Ren | 柏子仁 |
| TCMH127 | Isatis indigotica | Ban Lan Gen | 板蓝根 |
| TCMH130 | Pinellia ternata | Ban Xia | 半夏 |
| TCMH1359 | Pyrola calliantha | Lu Xian Cao | 鹿衔草 |
| TCMH1368 | Apocyni veneti folium | Luo Bu Ma Ye | 罗布麻叶 |
| TCMH1376 | Trachelospermum jasminoides | Luo Shi Teng | 络石藤 |
Showing 1 to 10 of 71 entries
Ingredient ID: TCMC3933
Formula: C27H43NO3
Ingredient ID: TCMC3933
| Common Name | Imperialine |
| IUPAC Name | (1R,2S,6S,9S,10S,11R,14S,15S,18S,20S,23R,24S)-10,20-dihydroxy-6,10,23-trimethyl-4-azahexacyclo[12.11.0.02,11.04,9.015,24.018,23]pentacosan-17-one |
| Canonical SMILES | O[C@H]1CC[C@]2([C@H](C1)C(=O)C[C@@H]1[C@@H]2C[C@@H]2[C@H]1CC[C@@H]1[C@H]2C[NH+]2C[C@@H](C)CC[C@H]2[C@@]1(C)O)C |
| Standard InCHI | InChI=1S/C27H43NO3/c1-15-4-7-25-27(3,31)21-6-5-17-18(20(21)14-28(25)13-15)11-22-19(17)12-24(30)23-10-16(29)8-9-26(22,23)2/h15-23,25,29,31H,4-14H2,1-3H3/p+1/t15-,16-,17+,18+,19-,20-,21+,22-,23+,25-,26+,27-/m0/s1 |
| Standard InCHIKey | IQDIERHFZVCNRZ-LRCDAWNTSA-O |
| External Identifiers | ChEMBL [CHEMBL1623724]; PubChem [442977]; |
| Reference of Component-Ingredient Pair | 28832506 |
Occurrence of the ingredient across TCM components
Ingredient ID: TCMC3781
Formula: C20H23NO5
Ingredient ID: TCMC3781
| Common Name | Delavine |
| IUPAC Name | 14,15-dimethoxy-20-methyl-5,7-dioxa-20-azapentacyclo[11.4.3.01,13.02,10.04,8]icosa-2,4(8),9,14-tetraen-16-one |
| Canonical SMILES | C[O]=C1C(=C([O-])CC23C1(CCc1c3cc3c(c1)OCO3)[NH+](C)CC2)OC |
| Standard InCHI | InChI=1S/C20H24NO5/c1-21-7-6-19-10-14(22)17(23-2)18(24-3)20(19,21)5-4-12-8-15-16(9-13(12)19)26-11-25-15/h8-9,22H,4-7,10-11H2,1-3H3 |
| Standard InCHIKey | DPZHVLWAJJVCBZ-UHFFFAOYSA-N |
| External Identifiers | ChEMBL [N/A]; PubChem [360850]; |
| Reference of Component-Ingredient Pair | N/A |
Occurrence of the ingredient across TCM components
Ingredient ID: TCMC3732
Formula: C27H41NO3
Ingredient ID: TCMC3732
| Common Name | Songbeisine |
| IUPAC Name | (3S,3'S,3'aS,4aS,6'S,6aS,6bS,7'aS,9S,11aS,11bS)-3-hydroxy-3',6',10,11b-tetramethylspiro[1,2,3,4,4a,5,6,6a,6b,7,8,11a-dodecahydrobenzo[a]fluorene-9,2'-3a,4,5,6,7,7a-hexahydro-3H-furo[3,2-b]pyridine]-11-one |
| Canonical SMILES | O[C@H]1CC[C@]2([C@H](C1)CC[C@@H]1[C@@H]2C(=O)C2=C(C)[C@@]3(CC[C@@H]12)O[C@@H]1[C@H]([C@@H]3C)[NH2+]C[C@H](C1)C)C |
| Standard InCHI | InChI=1S/C27H41NO3/c1-14-11-21-24(28-13-14)16(3)27(31-21)10-8-19-20-6-5-17-12-18(29)7-9-26(17,4)23(20)25(30)22(19)15(27)2/h14,16-21,23-24,28-29H,5-13H2,1-4H3/p+1/t14-,16-,17-,18-,19-,20-,21-,23+,24-,26-,27+/m0/s1 |
| Standard InCHIKey | YQGYDJYDIWCHOB-SZKIHVIJSA-O |
| External Identifiers | ChEMBL [N/A]; PubChem [197469]; |
| Reference of Component-Ingredient Pair | 1442041 |
Occurrence of the ingredient across TCM components
Ingredient ID: TCMC3629
Formula: C27H43NO3
Ingredient ID: TCMC3629
| Common Name | Peiminine,Simperialine |
| IUPAC Name | (1R,2S,6S,9S,10S,11S,14S,15S,18S,20S,23R,24S)-10,20-dihydroxy-6,10,23-trimethyl-4-azahexacyclo[12.11.0.02,11.04,9.015,24.018,23]pentacosan-17-one |
| Canonical SMILES | O[C@H]1CC[C@]2([C@H](C1)C(=O)C[C@@H]1[C@@H]2C[C@@H]2[C@H]1CC[C@H]1[C@H]2C[NH+]2C[C@@H](C)CC[C@H]2[C@@]1(C)O)C |
| Standard InCHI | InChI=1S/C27H43NO3/c1-15-4-7-25-27(3,31)21-6-5-17-18(20(21)14-28(25)13-15)11-22-19(17)12-24(30)23-10-16(29)8-9-26(22,23)2/h15-23,25,29,31H,4-14H2,1-3H3/p+1/t15-,16-,17+,18+,19-,20-,21-,22-,23+,25-,26+,27-/m0/s1 |
| Standard InCHIKey | IQDIERHFZVCNRZ-YUYPDVIUSA-O |
| External Identifiers | ChEMBL [N/A]; PubChem [167691]; |
| Reference of Component-Ingredient Pair | 28832506 |
Occurrence of the ingredient across TCM components
Ingredient ID: TCMC3593
Formula: C27H41NO3
Ingredient ID: TCMC3593
| Common Name | Ebeiensine,Peimisine |
| IUPAC Name | (3S,3'R,3'aS,4aS,6'S,6aR,6bS,7'aR,9R,11aS,11bR)-3-hydroxy-3',6',10,11b-tetramethylspiro[1,2,3,4,4a,6,6a,6b,7,8,11,11a-dodecahydrobenzo[a]fluorene-9,2'-3a,4,5,6,7,7a-hexahydro-3H-furo[3,2-b]pyridine]-5-one |
| Canonical SMILES | O[C@H]1CC[C@]2([C@H](C1)C(=O)C[C@@H]1[C@@H]2CC2=C(C)[C@]3(CC[C@@H]12)O[C@H]1[C@H]([C@H]3C)[NH2+]C[C@H](C1)C)C |
| Standard InCHI | InChI=1S/C27H41NO3/c1-14-9-24-25(28-13-14)16(3)27(31-24)8-6-18-19(15(27)2)11-21-20(18)12-23(30)22-10-17(29)5-7-26(21,22)4/h14,16-18,20-22,24-25,28-29H,5-13H2,1-4H3/p+1/t14-,16+,17-,18+,20-,21-,22+,24+,25-,26+,27-/m0/s1 |
| Standard InCHIKey | KYELXPJVGNZIGC-GKFGJCLESA-O |
| External Identifiers | ChEMBL [N/A]; PubChem [161294]; |
| Reference of Component-Ingredient Pair | 28415020 |
Occurrence of the ingredient across TCM components
Ingredient ID: TCMC3500
Formula: C27H45NO6
Ingredient ID: TCMC3500
| Common Name | Minpeimine |
| IUPAC Name | (2S,6S,9S,10S,11S,12S,15R,17S,18S,20S,23R,24S)-6,10,23-trimethyl-4-azahexacyclo[12.11.0.02,11.04,9.015,24.018,23]pentacosane-1,10,12,14,17,20-hexol |
| Canonical SMILES | O[C@H]1CC[C@]2([C@H](C1)[C@@H](O)C[C@@H]1[C@@H]2CC2(C1(O)C[C@@H]([C@@H]1[C@H]2C[NH+]2C[C@@H](C)CC[C@H]2[C@@]1(C)O)O)O)C |
| Standard InCHI | InChI=1S/C27H45NO6/c1-14-4-5-22-25(3,32)23-19(13-28(22)12-14)26(33)10-18-16(27(26,34)11-21(23)31)9-20(30)17-8-15(29)6-7-24(17,18)2/h14-23,29-34H,4-13H2,1-3H3/p+1/t14-,15-,16+,17+,18-,19+,20-,21-,22-,23-,24-,25+,26?,27?/m0/s1 |
| Standard InCHIKey | HMUQUHYFVPYNMA-PGVGQCOISA-O |
| External Identifiers | ChEMBL [N/A]; PubChem [134110]; |
| Reference of Component-Ingredient Pair | 1804204 |
Occurrence of the ingredient across TCM components
Ingredient ID: TCMC3463
Formula: C27H43NO2
Ingredient ID: TCMC3463
| Common Name | Sonbeinine |
| IUPAC Name | (1R,2S,6S,9S,10R,11R,15S,18S,20S,23R,24S)-20-hydroxy-6,10,23-trimethyl-4-azahexacyclo[12.11.0.02,11.04,9.015,24.018,23]pentacosan-17-one |
| Canonical SMILES | O[C@H]1CC[C@]2([C@H](C1)C(=O)C[C@@H]1[C@@H]2C[C@@H]2C1CC[C@@H]1[C@H]2C[NH+]2C[C@@H](C)CC[C@H]2[C@@H]1C)C |
| Standard InCHI | InChI=1S/C27H43NO2/c1-15-4-7-25-16(2)18-5-6-19-20(22(18)14-28(25)13-15)11-23-21(19)12-26(30)24-10-17(29)8-9-27(23,24)3/h15-25,29H,4-14H2,1-3H3/p+1/t15-,16+,17-,18-,19?,20+,21-,22+,23-,24+,25-,27+/m0/s1 |
| Standard InCHIKey | MWBJDDYEYGDWCZ-HGCWAZHVSA-O |
| External Identifiers | ChEMBL [N/A]; PubChem [126149]; |
| Reference of Component-Ingredient Pair | 22115033 |
Occurrence of the ingredient across TCM components
Ingredient ID: TCMC2886
Formula: C12H22O11
Ingredient ID: TCMC2886
| Common Name | Sucrose |
| IUPAC Name | (2R,3R,4S,5S,6R)-2-[(2S,3S,4S,5R)-3,4-dihydroxy-2,5-bis(hydroxymethyl)oxolan-2-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol |
| Canonical SMILES | OC[C@H]1O[C@@]([C@H]([C@@H]1O)O)(CO)O[C@H]1O[C@H](CO)[C@H]([C@@H]([C@H]1O)O)O |
| Standard InCHI | InChI=1S/C12H22O11/c13-1-4-6(16)8(18)9(19)11(21-4)23-12(3-15)10(20)7(17)5(2-14)22-12/h4-11,13-20H,1-3H2/t4-,5-,6-,7-,8+,9-,10+,11-,12+/m1/s1 |
| Standard InCHIKey | CZMRCDWAGMRECN-UGDNZRGBSA-N |
| External Identifiers | ChEMBL [CHEMBL253582]; PubChem [5988]; |
| Reference of Component-Ingredient Pair | 29968805 |
Occurrence of the ingredient across TCM components
| Component ID | Latin Name | Pinyin Name | Chinese Name |
|---|---|---|---|
| TCMH127 | Isatis indigotica | Ban Lan Gen | 板蓝根 |
| TCMH1329 | Arillus longan | Long Yan Rou | 龙眼肉 |
| TCMH1343 | Aloe vera | Lu Hui | 芦荟 |
| TCMH1396 | Portulaca oleracea | Ma Chi Xian | 马齿苋 |
| TCMH1665 | Notopterygium incisum | Qiang Huo | 羌活 |
| TCMH1721 | Panax ginseng | Ren Shen | 人参 |
| TCMH1798 | Morus alba | Sang Zhi | 桑枝 |
| TCMH182 | Areca catechu | Bing Lang | 槟榔 |
| TCMH1848 | Crataegus pinnatifida | Shan Zha | 山楂 |
| TCMH1862 | Cornus officinalis | Shan Zhu Yu | 山茱萸 |
Showing 1 to 10 of 29 entries
Ingredient ID: TCMC2458
Formula: C35H58O6
Ingredient ID: TCMC2458
| Common Name | Stigmasterol Glucoside |
| IUPAC Name | (2R,3R,4S,5S,6R)-2-[[(3S,8S,9S,10R,13R,14S,17R)-17-[(E,2R,5S)-5-ethyl-6-methylhept-3-en-2-yl]-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl]oxy]-6-(hydroxymethyl)oxane-3,4,5-triol |
| Canonical SMILES | CC[C@@H](C(C)C)/C=C/[C@H]([C@H]1CC[C@@H]2[C@]1(C)CC[C@H]1[C@H]2CC=C2[C@]1(C)CC[C@@H](C2)O[C@@H]1O[C@H](CO)[C@H]([C@@H]([C@H]1O)O)O)C |
| Standard InCHI | InChI=1S/C35H58O6/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/h8-10,20-22,24-33,36-39H,7,11-19H2,1-6H3/b9-8+/t21-,22-,24+,25+,26-,27+,28+,29-,30-,31+,32-,33-,34+,35-/m1/s1 |
| Standard InCHIKey | VWDLOXMZIGUBKM-AUGXRQBFSA-N |
| External Identifiers | ChEMBL [CHEMBL447335]; PubChem [6602508]; |
| Reference of Component-Ingredient Pair | 16261518 |
Occurrence of the ingredient across TCM components
| Component ID | Latin Name | Pinyin Name | Chinese Name |
|---|---|---|---|
| TCMH1562 | Arctium lappa | Niu Bang Zi | 牛蒡子 |
| TCMH213 | Boschniakia rossica | Cao Cong Rong | 草苁蓉 |
| TCMH2513 | Rhododendron mucronulatum | Ying Shan Hong | 映山红 |
| TCMH270 | Clerodendrum trichotomum | Chou Wu Tong | 臭梧桐 |
| TCMH271 | Clerodendrum trichotomum | Chou Wu Tong Ye | 臭梧桐叶 |
| TCMH273 | Fritillaria cirrhosa | Chuan Bei Mu | 川贝母 |
| TCMH274 | Fritillaria cirrhosa | Chuan Bei Mu Liu Jin Gao | 川贝母流浸膏 |
| TCMH287 | Clematidis armandii caulis | Chuan Mu Tong | 川木通 |
| TCMH600 | Euonymus fortunei | Fu Fang Teng | 扶芳藤 |
Showing 1 to 9 of 9 entries
Ingredient ID: TCMC2364
Formula: C46H74O17
Ingredient ID: TCMC2364
| Common Name | n.a. |
| IUPAC Name | n.a. |
| Canonical SMILES | OC[C@@H]1O[C@H]([C@@H]([C@H]1O)O)O[C@H]1[C@@H](OC[C@@H]([C@@H]1O[C@@H]1O[C@H](CO)[C@H]([C@@H]([C@H]1O)O)O)O)O[C@H]1CC[C@]2([C@H](C1(C)C)CC[C@@]1([C@@H]2CC[C@H]2[C@@]31CO[C@]1(C3)[C@@H]2[C@@](C)(O)C[C@@H](O1)C=C(C)C)C)C |
| Standard InCHI | InChI=1S/C46H74O17/c1-21(2)14-22-15-44(7,55)37-23-8-9-28-42(5)12-11-29(41(3,4)27(42)10-13-43(28,6)45(23)19-46(37,63-22)57-20-45)60-40-36(62-38-33(53)31(51)26(17-48)59-38)35(24(49)18-56-40)61-39-34(54)32(52)30(50)25(16-47)58-39/h14,22-40,47-55H,8-13,15-20H2,1-7H3/t22-,23+,24-,25+,26-,27-,28+,29-,30+,31-,32-,33+,34+,35-,36+,37-,38-,39-,40-,42-,43+,44-,45-,46-/m0/s1 |
| Standard InCHIKey | RANQPHKSRUUPKK-GPUGMLHBSA-N |
| External Identifiers | ChEMBL [CHEMBL506315]; PubChem [10629555]; |
| Reference of Component-Ingredient Pair | N/A |
Occurrence of the ingredient across TCM components
Ingredient ID: TCMC2216
Formula: C30H48O3
Ingredient ID: TCMC2216
| Common Name | Ursolic Acid |
| IUPAC Name | (1S,2R,4aS,6aR,6aS,6bR,8aR,10S,12aR,14bS)-10-hydroxy-1,2,6a,6b,9,9,12a-heptamethyl-2,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydro-1H-picene-4a-carboxylic acid |
| Canonical SMILES | C[C@@H]1CC[C@]2([C@@H]([C@H]1C)C1=CC[C@H]3[C@@]([C@@]1(CC2)C)(C)CC[C@@H]1[C@]3(C)CC[C@@H](C1(C)C)O)C(=O)O |
| Standard InCHI | InChI=1S/C30H48O3/c1-18-10-15-30(25(32)33)17-16-28(6)20(24(30)19(18)2)8-9-22-27(5)13-12-23(31)26(3,4)21(27)11-14-29(22,28)7/h8,18-19,21-24,31H,9-17H2,1-7H3,(H,32,33)/t18-,19+,21+,22-,23+,24+,27+,28-,29-,30+/m1/s1 |
| Standard InCHIKey | WCGUUGGRBIKTOS-GPOJBZKASA-N |
| External Identifiers | ChEMBL [CHEMBL169]; PubChem [64945]; |
| Reference of Component-Ingredient Pair | 27085377 |
Occurrence of the ingredient across TCM components
| Component ID | Latin Name | Pinyin Name | Chinese Name |
|---|---|---|---|
| TCMH1033 | Centella asiatica | Ji Xue Cao | 积雪草 |
| TCMH1039 | Kummerowia striata | Ji Yan Cao | 鸡眼草 |
| TCMH108 | Perilla frutescens | Bai Su Zi | 白苏子 |
| TCMH1105 | Trollius chinensis | Jin Lian Hua | 金莲花 |
| TCMH1121 | Cardiospermum halicacabum | Jin Si Ku Lian | 金丝苦楝 |
| TCMH1126 | Craibiodendron yunnanese | Jin Ye Zi | 金叶子 |
| TCMH1127 | Lonicera japonica | Jin Yin Hua | 金银花 |
| TCMH1128 | Lonicera japonica | Jin Yin Hua Ti Qu Ye | 金银花提取液 |
| 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 99 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: 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: 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: 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: TCMC1516
Formula: C15H10O6
Ingredient ID: TCMC1516
| Common Name | Luteolin |
| IUPAC Name | 2-(3,4-dihydroxyphenyl)-5,7-dihydroxychromen-4-one |
| Canonical SMILES | Oc1cc(O)c2c(c1)oc(cc2=O)c1ccc(c(c1)O)O |
| Standard InCHI | InChI=1S/C15H10O6/c16-8-4-11(19)15-12(20)6-13(21-14(15)5-8)7-1-2-9(17)10(18)3-7/h1-6,16-19H |
| Standard InCHIKey | IQPNAANSBPBGFQ-UHFFFAOYSA-N |
| External Identifiers | ChEMBL [CHEMBL151]; PubChem [5280445]; |
| Reference of Component-Ingredient Pair | 23122135 |
Occurrence of the ingredient across TCM components
| Component ID | Latin Name | Pinyin Name | Chinese Name |
|---|---|---|---|
| TCMH1005 | Cannabis sativa | Huo Ma Ren | 火麻仁 |
| TCMH1008 | Pogostemon cablin | Huo Xiang | 藿香 |
| TCMH1009 | Pogostemon cablin | Huo Xiang Ye | 藿香叶 |
| TCMH1022 | Celosia cristata | Ji Guan Hua | 鸡冠花 |
| TCMH108 | Perilla frutescens | Bai Su Zi | 白苏子 |
| TCMH1096 | Inula japonica | Jin Fei Cao | 金沸草 |
| TCMH1105 | Trollius chinensis | Jin Lian Hua | 金莲花 |
| TCMH1117 | Rhizoma fagopyri cymosi | Jin Qiao Mai | 金荞麦 |
| TCMH1121 | Cardiospermum halicacabum | Jin Si Ku Lian | 金丝苦楝 |
| TCMH1127 | Lonicera japonica | Jin Yin Hua | 金银花 |
Showing 1 to 10 of 140 entries
Ingredient ID: 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: 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: 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: TCMC1206
Formula: C21H20O11
Ingredient ID: TCMC1206
| Common Name | Galuteolin |
| IUPAC Name | 2-(3,4-dihydroxyphenyl)-5-hydroxy-7-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxychromen-4-one |
| Canonical SMILES | OC[C@H]1O[C@@H](Oc2cc(O)c3c(c2)oc(cc3=O)c2ccc(c(c2)O)O)[C@@H]([C@H]([C@@H]1O)O)O |
| Standard InCHI | InChI=1S/C21H20O11/c22-7-16-18(27)19(28)20(29)21(32-16)30-9-4-12(25)17-13(26)6-14(31-15(17)5-9)8-1-2-10(23)11(24)3-8/h1-6,16,18-25,27-29H,7H2/t16-,18-,19+,20-,21-/m1/s1 |
| Standard InCHIKey | PEFNSGRTCBGNAN-QNDFHXLGSA-N |
| External Identifiers | ChEMBL [CHEMBL233929]; PubChem [5280637]; |
| Reference of Component-Ingredient Pair | 22885972 |
Occurrence of the ingredient across TCM components
| Component ID | Latin Name | Pinyin Name | Chinese Name |
|---|---|---|---|
| TCMH108 | Perilla frutescens | Bai Su Zi | 白苏子 |
| TCMH1096 | Inula japonica | Jin Fei Cao | 金沸草 |
| TCMH1125 | Herba chrysosplenii | Jin Yao Cao | 金腰草 |
| TCMH1127 | Lonicera japonica | Jin Yin Hua | 金银花 |
| TCMH1128 | Lonicera japonica | Jin Yin Hua Ti Qu Ye | 金银花提取液 |
| TCMH1141 | Schizonepeta tenuifolia | Jing Jie | 荆芥 |
| TCMH1181 | Chrysanthemum morifolium | Ju Hua | 菊花 |
| TCMH1275 | Nelumbo nucifera | Lian Zi | 莲子 |
| TCMH1276 | Nelumbo nucifera | Lian Zi Xin | 莲子心 |
| TCMH132 | Scutellaria barbata | Ban Zhi Lian | 半枝莲 |
Showing 1 to 10 of 63 entries
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 |
| TCMC1206 | C21H20O11 | Galuteolin | 448.1 | -4.0917 | 2.56 | -0.075 | 6 | 7 | 186.37 | 11 | 4 | 32 | 1 |
| TCMC1297 | C5H5N5O | Guanine | 151.05 | -1.1064 | 1.35 | -0.498 | 6 | 4 | 97.15 | 1 | 2 | 11 | 0 |
| TCMC1298 | C10H13N5O5 | Guanosine | 283.09 | -2.2152 | 1.46 | -1.643 | 10 | 6 | 156.21 | 6 | 3 | 20 | 1 |
| TCMC1358 | C5H4N4O | Hypoxanthine | 136.04 | -0.8807 | 1.46 | -0.597 | 4 | 2 | 74.69 | 1 | 2 | 10 | 0 |
| TCMC1373 | C10H12N4O5 | Inosine | 268.08 | -1.9895 | 1.57 | -1.742 | 8 | 4 | 133.75 | 6 | 3 | 19 | 0 |
| TCMC1515 | C30H50O | Lupeol | 426.39 | 3.2313 | 4.65 | 11.901 | 1 | 1 | 20.23 | 9 | 5 | 31 | 1 |
| TCMC1516 | C15H10O6 | Luteolin | 286.05 | -2.3448 | 2.45 | 1.033 | 1 | 4 | 107.22 | 5 | 3 | 21 | 0 |
| TCMC1839 | C7H6O3 | Paraben | 138.03 | -0.7001 | 1.9 | 1.07 | 2 | 2 | 57.53 | 3 | 1 | 10 | 0 |
| TCMC1982 | C15H10O7 | Quercetin | 302.04 | -2.8012 | 2.34 | 1.381 | 2 | 5 | 127.45 | 6 | 3 | 22 | 0 |
Showing 1 to 10 of 33 entries
Download Data
All data can be downloaded by:→ Selecting data type in the below download table
→ Then click the download button.
