Description of the Component
Component ID |
TCMH1376 |
Latin Name |
Trachelospermum jasminoides |
English Name |
Chinese star jasmine |
Chinese Pinyin Name |
Luo Shi Teng |
中文名 |
络石藤 |
TCM Properties |
Minor cold,Bitter |
TCM Meridians |
Liver,Heart |
Therapeutic Class English |
For dispelling wind-dampness |
Therapeutic Class Chinese |
祛风湿 |
Functions |
dispel wind and remove obstruction from the channels and remove heat from blood and cause subsidence of swelling |
Toxicity |
NA |
Geo-authentic habitats (道地产区) |
NA |
Reference |
Chinese Pharmacopoeia (2015) |
Barcode ID |
ITSAJ4261-14 |
Barcode Source |
BOLDSYSTEMS |
TCM Prescriptions with the Component
| Prescription ID | Prescription English Name | Prescription Chinese Name |
|---|---|---|
| TCMF2199 | Pain Releasing Decoction | 定痛汤 |
| TCMF3522 | Gu Tong Yao Wine | 骨痛药酒 |
| TCMF5147 | Qu Feng Shi Gu Tong Wine | 祛风湿骨痛酒 |
| TCMFx1193 | She Xiang Kang Shuan Capsule | 麝香抗栓胶囊 |
| TCMFx2237 | Tablet for Relieving Rigidity of Muscles and Promoting Blood Circulation | 舒筋活血片 |
| TCMFx2405 | Five Insect and Four Vine Decoction | 五虫四藤汤 |
| TCMFx326 | Zhong Feng Hui Chun Pills | 中风回春丸 |
| TCMFx327 | Zhong Feng Hui Chun Tablet | 中风回春片 |
| TCMFx3556 | Feng Shi Zhi Tong Yao Wine | 风湿止痛药酒 |
| TCMFx4456 | Pan Long Qi Tablets | 盘龙七片 |
Showing 1 to 10 of 16 entries
Targeted Human Proteins by the Ingredient of Component
| Target ID | Gene Symbol | Target Name | Target Class | Uniprot ID |
|---|---|---|---|---|
| TCMT1 | EHMT2 | Histone-lysine N-methyltransferase, H3 lysine-9 specific 3 | Transferase | Q96KQ7 |
| TCMT100 | TTR | Transthyretin | Unclassified | P02766 |
| TCMT101 | PTPN1 | Protein-tyrosine phosphatase 1B | Hydrolase | P18031 |
| TCMT11 | HIF1A | Hypoxia-inducible factor 1 alpha | Transcription factor | Q16665 |
| TCMT112 | ADORA3 | Adenosine A3 receptor | GPCR | P0DMS8 |
| TCMT125 | GBA | Beta-glucocerebrosidase | Hydrolase | P04062 |
| TCMT127 | PARP1 | Poly [ADP-ribose] polymerase-1 | Transferase | P09874 |
| TCMT128 | TNKS2 | Tankyrase-2 | Transferase | Q9H2K2 |
| TCMT129 | TNKS | Tankyrase-1 | Transferase | O95271 |
| TCMT13 | APEX1 | DNA-(apurinic or apyrimidinic site) lyase | Lyase | P27695 |
Showing 1 to 10 of 131 entries
Targeted Pathogenic Microbes by the Ingredient of Component
| Target ID | Target Name |
|---|---|
| TCMT1090 | Human immunodeficiency virus type 1 integrase |
| TCMT1092 | Fatty acid synthase |
| TCMT1093 | Enoyl-acyl-carrier protein reductase |
| TCMT1094 | 3-oxoacyl-acyl-carrier protein reductase |
| TCMT1099 | Neuraminidase |
| TCMT1108 | Integrase |
| TCMT1109 | Reverse transcriptase |
| TCMT1121 | Sialidase |
| TCMT1136 | Neuraminidase |
| TCMT1178 | Actinomyces viscosus |
Showing 1 to 10 of 38 entries
Ingredient Structrues
Ingredient ID: TCMC847
Formula: C9H8O4
Ingredient ID: TCMC847
| Common Name | Caffeic Acid |
| IUPAC Name | (E)-3-(3,4-dihydroxyphenyl)prop-2-enoic acid |
| Canonical SMILES | OC(=O)/C=C/c1ccc(c(c1)O)O |
| Standard InCHI | InChI=1S/C9H8O4/c10-7-3-1-6(5-8(7)11)2-4-9(12)13/h1-5,10-11H,(H,12,13)/b4-2+ |
| Standard InCHIKey | QAIPRVGONGVQAS-DUXPYHPUSA-N |
| External Identifiers | ChEMBL [CHEMBL145]; PubChem [689043]; |
| Reference of Component-Ingredient Pair | 25130191 |
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 |
| 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 |
| 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 |
| TCMH1127 | Lonicera japonica | Jin Yin Hua | 金银花 |
Showing 1 to 10 of 177 entries
Ingredient ID: TCMC789
Formula: C14H16O9
Ingredient ID: TCMC789
| Common Name | Bergenin |
| IUPAC Name | (2R,3S,4S,4aR,10bS)-3,4,8,10-tetrahydroxy-2-(hydroxymethyl)-9-methoxy-3,4,4a,10b-tetrahydro-2H-pyrano[3,2-c]isochromen-6-one |
| Canonical SMILES | OC[C@H]1O[C@@H]2[C@@H]([C@H]([C@@H]1O)O)OC(=O)c1c2c(O)c(c(c1)O)OC |
| Standard InCHI | InChI=1S/C14H16O9/c1-21-11-5(16)2-4-7(9(11)18)12-13(23-14(4)20)10(19)8(17)6(3-15)22-12/h2,6,8,10,12-13,15-19H,3H2,1H3/t6-,8-,10+,12+,13-/m1/s1 |
| Standard InCHIKey | YWJXCIXBAKGUKZ-HJJNZUOJSA-N |
| External Identifiers | ChEMBL [CHEMBL273019]; PubChem [66065]; |
| Reference of Component-Ingredient Pair | 21644175 |
Occurrence of the ingredient across TCM components
| Component ID | Latin Name | Pinyin Name | Chinese Name |
|---|---|---|---|
| TCMH1376 | Trachelospermum jasminoides | Luo Shi Teng | 络石藤 |
| TCMH2684 | Ardisia crenata | Zhu Sha Gen | 朱砂根 |
| TCMH2715 | Ardisia japonica | Zi Jin Niu | 紫金牛 |
| TCMH524 | Eucommia ulmoides | Du Zhong | 杜仲 |
| TCMH525 | Eucommia ulmoides | Du Zhong Tan | 杜仲炭 |
| TCMH526 | Eucommia ulmoides | Du Zhong Ye | 杜仲叶 |
| TCMH901 | Saxifraga stolonifera | Hu Er Cao | 虎耳草 |
Showing 1 to 7 of 7 entries
Ingredient ID: TCMC76
Formula: C15H12O7
Ingredient ID: TCMC76
| Common Name | (2R,3S)-2-(3,4-Dihydroxyphenyl)-3,5,7-Trihydroxy-2,3-Dihydrochromen-4-One |
| IUPAC Name | (2R,3S)-2-(3,4-dihydroxyphenyl)-3,5,7-trihydroxy-2,3-dihydrochromen-4-one |
| Canonical SMILES | Oc1cc2O[C@H](c3ccc(c(c3)O)O)[C@@H](C(=O)c2c(c1)O)O |
| Standard InCHI | InChI=1S/C15H12O7/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/h1-5,14-19,21H/t14-,15-/m1/s1 |
| Standard InCHIKey | CXQWRCVTCMQVQX-HUUCEWRRSA-N |
| External Identifiers | ChEMBL [CHEMBL221328]; PubChem [712318]; |
| 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 |
| TCMH1096 | Inula japonica | Jin Fei Cao | 金沸草 |
| TCMH1376 | Trachelospermum jasminoides | Luo Shi Teng | 络石藤 |
| TCMH143 | Albizia julibrissin | Bei He Huan | 北合欢 |
| TCMH1437 | Rhododendron dauricum | Man Shan Hong | 满山红 |
| TCMH1446 | Vaccinium oxycoccos | Man Yue Mei | 蔓越莓 |
| TCMH1448 | Mangifera indica | Mang Guo Ye | 芒果叶 |
| TCMH1518 | Chaenomeles sinensis | Mu Gua | 木瓜 |
Showing 1 to 10 of 29 entries
Ingredient ID: TCMC718
Formula: C21H24O6
Ingredient ID: TCMC718
| Common Name | Arctigenin |
| IUPAC Name | (3R,4R)-4-[(3,4-dimethoxyphenyl)methyl]-3-[(4-hydroxy-3-methoxyphenyl)methyl]oxolan-2-one |
| Canonical SMILES | COc1cc(ccc1OC)C[C@H]1COC(=O)[C@@H]1Cc1ccc(c(c1)OC)O |
| Standard InCHI | InChI=1S/C21H24O6/c1-24-18-7-5-13(11-20(18)26-3)8-15-12-27-21(23)16(15)9-14-4-6-17(22)19(10-14)25-2/h4-7,10-11,15-16,22H,8-9,12H2,1-3H3/t15-,16+/m0/s1 |
| Standard InCHIKey | NQWVSMVXKMHKTF-JKSUJKDBSA-N |
| External Identifiers | ChEMBL [CHEMBL435734]; PubChem [64981]; |
| Reference of Component-Ingredient Pair | 21435270 |
Occurrence of the ingredient across TCM components
| Component ID | Latin Name | Pinyin Name | Chinese Name |
|---|---|---|---|
| TCMH1272 | Forsythia suspensa | Lian Qiao | 连翘 |
| TCMH1283 | Wikstroemia indica | Liao Ge Wang | 了哥王 |
| TCMH1376 | Trachelospermum jasminoides | Luo Shi Teng | 络石藤 |
| TCMH1562 | Arctium lappa | Niu Bang Zi | 牛蒡子 |
| TCMH2213 | Ipomoea cairica | Wu Zhao Long | 五爪龙 |
| TCMH2378 | Daphne genkwa | Yuan Hua | 芫花 |
| TCMH2379 | Daphne genkwa | Yuan Hua Gen | 芫花根 |
| TCMH2380 | Daphne genkwa | Yuan Hua Tiao | 芫花条 |
| TCMH2381 | Daphne genkwa | Yuan Hua Zhi Tiao | 芫花枝条 |
| TCMH2457 | Rosa canina | Ye Mei Gui Guo | 野玫瑰果 |
Showing 1 to 10 of 11 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: TCMC66
Formula: C15H12O7
Ingredient ID: TCMC66
| Common Name | (2R)-2-(3,4-Dihydroxyphenyl)-3,5,7-Trihydroxy-2,3-Dihydrochromen-4-One |
| IUPAC Name | (2R)-2-(3,4-dihydroxyphenyl)-3,5,7-trihydroxy-2,3-dihydrochromen-4-one |
| Canonical SMILES | Oc1cc2O[C@H](c3ccc(c(c3)O)O)C(C(=O)c2c(c1)O)O |
| Standard InCHI | InChI=1S/C15H12O7/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/h1-5,14-19,21H/t14?,15-/m1/s1 |
| Standard InCHIKey | CXQWRCVTCMQVQX-YSSOQSIOSA-N |
| External Identifiers | ChEMBL [CHEMBL1492383]; PubChem [10185]; |
| Reference of Component-Ingredient Pair | N/A |
Occurrence of the ingredient across TCM components
| Component ID | Latin Name | Pinyin Name | Chinese Name |
|---|---|---|---|
| TCMH1096 | Inula japonica | Jin Fei Cao | 金沸草 |
| TCMH1376 | Trachelospermum jasminoides | Luo Shi Teng | 络石藤 |
| TCMH143 | Albizia julibrissin | Bei He Huan | 北合欢 |
| TCMH1437 | Rhododendron dauricum | Man Shan Hong | 满山红 |
| TCMH177 | Polygonum aviculare | Bian Xu | 萹蓄 |
| TCMH1792 | Morus alba | Sang Pi | 桑皮 |
| TCMH1797 | Morus alba | Sang Ye | 桑叶 |
| TCMH1798 | Morus alba | Sang Zhi | 桑枝 |
| TCMH2134 | Smilax glabra | Tu Fu Ling | 土茯苓 |
| TCMH37 | Smilax china | Ba Qia | 菝葜 |
Showing 1 to 10 of 10 entries
Ingredient ID: TCMC6508
Formula: C33H44O17
Ingredient ID: TCMC6508
| Common Name | Trachelogenin 4'-O-Β-Gentiobioside |
| IUPAC Name | (3S,4S)-4-[(3,4-dimethoxyphenyl)methyl]-3-hydroxy-3-[[3-methoxy-4-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-[[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]oxan-2-yl]oxyphenyl]methyl]oxolan-2-one |
| Canonical SMILES | OC[C@H]1O[C@@H](OC[C@H]2O[C@@H](Oc3ccc(cc3OC)C[C@@]3(O)C(=O)OC[C@@H]3Cc3ccc(c(c3)OC)OC)[C@@H]([C@H]([C@@H]2O)O)O)[C@@H]([C@H]([C@@H]1O)O)O |
| Standard InCHI | InChI=1S/C33H44O17/c1-43-18-6-4-15(9-20(18)44-2)8-17-13-47-32(41)33(17,42)11-16-5-7-19(21(10-16)45-3)48-31-29(40)27(38)25(36)23(50-31)14-46-30-28(39)26(37)24(35)22(12-34)49-30/h4-7,9-10,17,22-31,34-40,42H,8,11-14H2,1-3H3/t17-,22+,23+,24+,25+,26-,27-,28+,29+,30+,31+,33-/m0/s1 |
| Standard InCHIKey | IQCQVYHOIJUWFV-WWWLVXCOSA-N |
| External Identifiers | ChEMBL [N/A]; PubChem [21636141]; |
| Reference of Component-Ingredient Pair | N/A |
Occurrence of the ingredient across TCM components
Ingredient ID: TCMC6077
Formula: C27H30O16
Ingredient ID: TCMC6077
| Common Name | Luteolin-7-O-Gentiobioside |
| IUPAC Name | 2-(3,4-dihydroxyphenyl)-5-hydroxy-7-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-[[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]oxan-2-yl]oxychromen-4-one |
| Canonical SMILES | OC[C@H]1O[C@@H](OC[C@H]2O[C@@H](Oc3cc(O)c4c(c3)oc(cc4=O)c3ccc(c(c3)O)O)[C@@H]([C@H]([C@@H]2O)O)O)[C@@H]([C@H]([C@@H]1O)O)O |
| Standard InCHI | InChI=1S/C27H30O16/c28-7-17-20(33)22(35)24(37)26(42-17)39-8-18-21(34)23(36)25(38)27(43-18)40-10-4-13(31)19-14(32)6-15(41-16(19)5-10)9-1-2-11(29)12(30)3-9/h1-6,17-18,20-31,33-38H,7-8H2/t17-,18-,20-,21-,22+,23+,24-,25-,26-,27-/m1/s1 |
| Standard InCHIKey | LDTDRTSKWGQBAA-IPOZFMEPSA-N |
| External Identifiers | ChEMBL [N/A]; PubChem [14032967]; |
| Reference of Component-Ingredient Pair | 23146236 |
Occurrence of the ingredient across TCM components
Ingredient ID: TCMC5912
Formula: C21H26N2O3
Ingredient ID: TCMC5912
| Common Name | Tabernaemontanine |
| IUPAC Name | methyl (1S,14S,15S,18S)-15-ethyl-17-methyl-12-oxo-10,17-diazatetracyclo[12.3.1.03,11.04,9]octadeca-3(11),4,6,8-tetraene-18-carboxylate |
| Canonical SMILES | CC[C@@H]1C[NH+](C)[C@@H]2[C@H]([C@H]1CC(=O)c1c(C2)c2c([nH]1)cccc2)C(=O)OC |
| Standard InCHI | InChI=1S/C21H26N2O3/c1-4-12-11-23(2)17-9-15-13-7-5-6-8-16(13)22-20(15)18(24)10-14(12)19(17)21(25)26-3/h5-8,12,14,17,19,22H,4,9-11H2,1-3H3/p+1/t12-,14+,17+,19+/m1/s1 |
| Standard InCHIKey | FFVRRQMGGGTQRH-DTPILHQWSA-O |
| External Identifiers | ChEMBL [N/A]; PubChem [12309360]; |
| Reference of Component-Ingredient Pair | 28423921 |
Occurrence of the ingredient across TCM components
Ingredient ID: TCMC5495
Formula: C27H30O15
Ingredient ID: TCMC5495
| Common Name | Apigenin-7-O-Gentiobioside |
| IUPAC Name | 5-hydroxy-2-(4-hydroxyphenyl)-7-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-[[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]oxan-2-yl]oxychromen-4-one |
| Canonical SMILES | OC[C@H]1O[C@@H](OC[C@H]2O[C@@H](Oc3cc(O)c4c(c3)oc(cc4=O)c3ccc(cc3)O)[C@@H]([C@H]([C@@H]2O)O)O)[C@@H]([C@H]([C@@H]1O)O)O |
| Standard InCHI | InChI=1S/C27H30O15/c28-8-17-20(32)22(34)24(36)26(41-17)38-9-18-21(33)23(35)25(37)27(42-18)39-12-5-13(30)19-14(31)7-15(40-16(19)6-12)10-1-3-11(29)4-2-10/h1-7,17-18,20-30,32-37H,8-9H2/t17-,18-,20-,21-,22+,23+,24-,25-,26-,27-/m1/s1 |
| Standard InCHIKey | XDMJJZUUHWWITI-IPOZFMEPSA-N |
| External Identifiers | ChEMBL [N/A]; PubChem [10841200]; |
| Reference of Component-Ingredient Pair | N/A |
Occurrence of the ingredient across TCM components
Ingredient ID: TCMC4696
Formula: C21H20O11
Ingredient ID: TCMC4696
| Common Name | Luteolin-4'-O-Glucoside |
| IUPAC Name | 5,7-dihydroxy-2-[3-hydroxy-4-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]chromen-4-one |
| Canonical SMILES | OC[C@H]1O[C@@H](Oc2ccc(cc2O)c2cc(=O)c3c(o2)cc(cc3O)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)31-13-2-1-8(3-10(13)24)14-6-12(26)17-11(25)4-9(23)5-15(17)30-14/h1-6,16,18-25,27-29H,7H2/t16-,18-,19+,20-,21-/m1/s1 |
| Standard InCHIKey | UHNXUSWGOJMEFO-QNDFHXLGSA-N |
| External Identifiers | ChEMBL [CHEMBL459822]; PubChem [5319116]; |
| Reference of Component-Ingredient Pair | 23019902 |
Occurrence of the ingredient across TCM components
Ingredient ID: TCMC4383
Formula: C27H30O14
Ingredient ID: TCMC4383
| Common Name | Apigenin-7-O-Neohesperidoside |
| IUPAC Name | 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)chromen-4-one |
| Canonical SMILES | OC[C@H]1O[C@@H](Oc2cc(O)c3c(c2)oc(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/C27H30O14/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/h2-8,10,18,20-30,32-36H,9H2,1H3/t10-,18+,20-,21+,22+,23-,24+,25+,26-,27+/m0/s1 |
| Standard InCHIKey | RPMNUQRUHXIGHK-PYXJVEIZSA-N |
| External Identifiers | ChEMBL [CHEMBL395990]; PubChem [5282150]; |
| Reference of Component-Ingredient Pair | 28334636 |
Occurrence of the ingredient across TCM components
Ingredient ID: TCMC4329
Formula: C18H20N2
Ingredient ID: TCMC4329
| Common Name | Apparicine |
| IUPAC Name | (13S,14E)-14-ethylidene-12-methylidene-1,10-diazatetracyclo[11.2.2.03,11.04,9]heptadeca-3(11),4,6,8-tetraene |
| Canonical SMILES | C/C=C1/C[NH+]2CC[C@@H]1C(=C)c1c(C2)c2c([nH]1)cccc2 |
| Standard InCHI | InChI=1S/C18H20N2/c1-3-13-10-20-9-8-14(13)12(2)18-16(11-20)15-6-4-5-7-17(15)19-18/h3-7,14,19H,2,8-11H2,1H3/p+1/b13-3-/t14-/m1/s1 |
| Standard InCHIKey | LCVACABZTLIWCE-CRAFIKPXSA-O |
| External Identifiers | ChEMBL [CHEMBL285671]; PubChem [5281349]; |
| Reference of Component-Ingredient Pair | 6512541 |
Occurrence of the ingredient across TCM components
Ingredient ID: TCMC4324
Formula: C29H48O
Ingredient ID: TCMC4324
| Common Name | Stigmasterol |
| IUPAC Name | (3S,8S,9S,10R,13R,14S,17R)-17-[(E,2R,5R)-5-ethyl-6-methylhept-3-en-2-yl]-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-ol |
| Canonical SMILES | CC[C@H](C(C)C)/C=C/[C@H]([C@H]1CC[C@@H]2[C@]1(C)CC[C@H]1[C@H]2CC=C2[C@]1(C)CC[C@@H](C2)O)C |
| Standard InCHI | InChI=1S/C29H48O/c1-7-21(19(2)3)9-8-20(4)25-12-13-26-24-11-10-22-18-23(30)14-16-28(22,5)27(24)15-17-29(25,26)6/h8-10,19-21,23-27,30H,7,11-18H2,1-6H3/b9-8+/t20-,21+,23+,24+,25-,26+,27+,28+,29-/m1/s1 |
| Standard InCHIKey | HCXVJBMSMIARIN-KEJCWXRGSA-N |
| External Identifiers | ChEMBL [CHEMBL400247]; PubChem [5281330]; |
| Reference of Component-Ingredient Pair | 24242815 |
Occurrence of the ingredient across TCM components
| Component ID | Latin Name | Pinyin Name | Chinese Name |
|---|---|---|---|
| TCMH1127 | Lonicera japonica | Jin Yin Hua | 金银花 |
| TCMH1186 | Lycium chinense | Gou Qi Zi | 枸杞子 |
| TCMH12 | Artemisia argyi | Ai Ye | 艾叶 |
| TCMH1376 | Trachelospermum jasminoides | Luo Shi Teng | 络石藤 |
| TCMH1423 | Ophiopogon japonicus | Mai Dong | 麦冬 |
| TCMH1499 | Changium smyrnioides | Ming Dang Shen | 明党参 |
| TCMH1531 | Akebia quinata | Mu Tong | 木通 |
| TCMH1533 | Saussurea lappa | Mu Xiang | 木香 |
| TCMH1680 | Sinomenium acutum | Qing Feng Teng | 青风藤 |
| TCMH1721 | Panax ginseng | Ren Shen | 人参 |
Showing 1 to 10 of 37 entries
Ingredient ID: TCMC3985
Formula: C26H32O11
Ingredient ID: TCMC3985
| Common Name | Matairesinoside |
| IUPAC Name | (3R,4R)-4-[(4-hydroxy-3-methoxyphenyl)methyl]-3-[[3-methoxy-4-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]methyl]oxolan-2-one |
| Canonical SMILES | OC[C@H]1O[C@@H](Oc2ccc(cc2OC)C[C@H]2C(=O)OC[C@@H]2Cc2ccc(c(c2)OC)O)[C@@H]([C@H]([C@@H]1O)O)O |
| Standard InCHI | InChI=1S/C26H32O11/c1-33-19-9-13(3-5-17(19)28)7-15-12-35-25(32)16(15)8-14-4-6-18(20(10-14)34-2)36-26-24(31)23(30)22(29)21(11-27)37-26/h3-6,9-10,15-16,21-24,26-31H,7-8,11-12H2,1-2H3/t15-,16+,21+,22+,23-,24+,26+/m0/s1 |
| Standard InCHIKey | AAGCATAPYOEULE-LHHMAMHXSA-N |
| External Identifiers | ChEMBL [CHEMBL459834]; PubChem [486612]; |
| Reference of Component-Ingredient Pair | 16753802 |
Occurrence of the ingredient across TCM components
Ingredient ID: TCMC3981
Formula: C20H22O7
Ingredient ID: TCMC3981
| Common Name | D-Nortrachelogenin |
| IUPAC Name | (3R,4R)-3-hydroxy-3,4-bis[(4-hydroxy-3-methoxyphenyl)methyl]oxolan-2-one |
| Canonical SMILES | COc1cc(ccc1O)C[C@@H]1COC(=O)[C@@]1(O)Cc1ccc(c(c1)OC)O |
| Standard InCHI | InChI=1S/C20H22O7/c1-25-17-8-12(3-5-15(17)21)7-14-11-27-19(23)20(14,24)10-13-4-6-16(22)18(9-13)26-2/h3-6,8-9,14,21-22,24H,7,10-11H2,1-2H3/t14-,20-/m1/s1 |
| Standard InCHIKey | ZITBJWXLODLDRH-JLTOFOAXSA-N |
| External Identifiers | ChEMBL [CHEMBL453799]; PubChem [479756]; |
| Reference of Component-Ingredient Pair | 10985087 |
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: TCMC3964
Formula: C19H24N2O
Ingredient ID: TCMC3964
| Common Name | Conoflorine |
| IUPAC Name | (15R,16S,18R)-15-ethyl-17-oxa-1,11-diazapentacyclo[13.4.1.04,12.05,10.016,18]icosa-4(12),5,7,9-tetraene |
| Canonical SMILES | CC[C@@]12CCc3[nH]c4c(c3CC[NH+](C1)C[C@@H]1[C@H]2O1)cccc4 |
| Standard InCHI | InChI=1S/C19H24N2O/c1-2-19-9-7-16-14(13-5-3-4-6-15(13)20-16)8-10-21(12-19)11-17-18(19)22-17/h3-6,17-18,20H,2,7-12H2,1H3/p+1/t17-,18-,19-/m1/s1 |
| Standard InCHIKey | OGDFTQDRHAGLTB-GUDVDZBRSA-O |
| External Identifiers | ChEMBL [CHEMBL496674]; PubChem [453208]; |
| Reference of Component-Ingredient Pair | 24257961 |
Occurrence of the ingredient across TCM components
Ingredient ID: TCMC3963
Formula: C21H27NO7
Ingredient ID: TCMC3963
| Common Name | Trachelogenin Amide |
| IUPAC Name | (2S,3S)-3-[(3,4-dimethoxyphenyl)methyl]-2,4-dihydroxy-2-[(4-hydroxy-3-methoxyphenyl)methyl]butanamide |
| Canonical SMILES | COc1cc(ccc1OC)C[C@H]([C@](C(=O)N)(Cc1ccc(c(c1)OC)O)O)CO |
| Standard InCHI | InChI=1S/C21H27NO7/c1-27-17-7-5-13(9-19(17)29-3)8-15(12-23)21(26,20(22)25)11-14-4-6-16(24)18(10-14)28-2/h4-7,9-10,15,23-24,26H,8,11-12H2,1-3H3,(H2,22,25)/t15-,21-/m0/s1 |
| Standard InCHIKey | QHRABXYWCDWVQB-BTYIYWSLSA-N |
| External Identifiers | ChEMBL [N/A]; PubChem [452856]; |
| Reference of Component-Ingredient Pair | N/A |
Occurrence of the ingredient across TCM components
Ingredient ID: TCMC3962
Formula: C21H24O7
Ingredient ID: TCMC3962
| Common Name | Trachelogenin |
| IUPAC Name | (3S,4S)-4-[(3,4-dimethoxyphenyl)methyl]-3-hydroxy-3-[(4-hydroxy-3-methoxyphenyl)methyl]oxolan-2-one |
| Canonical SMILES | COc1cc(ccc1OC)C[C@H]1COC(=O)[C@]1(O)Cc1ccc(c(c1)OC)O |
| Standard InCHI | InChI=1S/C21H24O7/c1-25-17-7-5-13(9-19(17)27-3)8-15-12-28-20(23)21(15,24)11-14-4-6-16(22)18(10-14)26-2/h4-7,9-10,15,22,24H,8,11-12H2,1-3H3/t15-,21-/m0/s1 |
| Standard InCHIKey | YFVZKLQNMNKWSB-BTYIYWSLSA-N |
| External Identifiers | ChEMBL [CHEMBL491178]; PubChem [452855]; |
| Reference of Component-Ingredient Pair | 26879209 |
Occurrence of the ingredient across TCM components
Ingredient ID: TCMC3764
Formula: C20H22O7
Ingredient ID: TCMC3764
| Common Name | Wikstromol |
| IUPAC Name | (3S,4R)-3-hydroxy-3,4-bis[(4-hydroxy-3-methoxyphenyl)methyl]oxolan-2-one |
| Canonical SMILES | COc1cc(ccc1O)C[C@@H]1COC(=O)[C@]1(O)Cc1ccc(c(c1)OC)O |
| Standard InCHI | InChI=1S/C20H22O7/c1-25-17-8-12(3-5-15(17)21)7-14-11-27-19(23)20(14,24)10-13-4-6-16(22)18(9-13)26-2/h3-6,8-9,14,21-22,24H,7,10-11H2,1-2H3/t14-,20+/m1/s1 |
| Standard InCHIKey | ZITBJWXLODLDRH-VLIAUNLRSA-N |
| External Identifiers | ChEMBL [CHEMBL3098864]; PubChem [321311]; |
| Reference of Component-Ingredient Pair | 15040087 |
Occurrence of the ingredient across TCM components
Ingredient ID: TCMC3652
Formula: C28H48O
Ingredient ID: TCMC3652
| Common Name | Campesterol |
| IUPAC Name | (3S,8S,9S,10R,13R,14S,17R)-17-[(2R,5R)-5,6-dimethylheptan-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 | O[C@H]1CC[C@]2(C(=CC[C@@H]3[C@@H]2CC[C@]2([C@H]3CC[C@@H]2[C@@H](CC[C@H](C(C)C)C)C)C)C1)C |
| Standard InCHI | InChI=1S/C28H48O/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/h9,18-20,22-26,29H,7-8,10-17H2,1-6H3/t19-,20-,22+,23+,24-,25+,26+,27+,28-/m1/s1 |
| Standard InCHIKey | SGNBVLSWZMBQTH-PODYLUTMSA-N |
| External Identifiers | ChEMBL [CHEMBL520535]; PubChem [173183]; |
| Reference of Component-Ingredient Pair | 23017420 |
Occurrence of the ingredient across TCM components
| Component ID | Latin Name | Pinyin Name | Chinese Name |
|---|---|---|---|
| TCMH1343 | Aloe vera | Lu Hui | 芦荟 |
| TCMH1376 | Trachelospermum jasminoides | Luo Shi Teng | 络石藤 |
| TCMH240 | Plantago depressa | Che Qian Cao | 车前草 |
| TCMH2722 | Perilla frutescens var. arguta | Zi Su Ye | 紫苏叶 |
| TCMH2725 | Fructus perillae | Zi Su Zi | 紫苏子 |
| TCMH449 | Cortex lycii radicis | Di Gu Pi | 地骨皮 |
| TCMH90 | Imperata cylindrica | Bai Mao Gen | 白茅根 |
Showing 1 to 7 of 7 entries
Ingredient ID: TCMC3642
Formula: C27H34O12
Ingredient ID: TCMC3642
| Common Name | Tracheloside |
| IUPAC Name | (3S,4S)-4-[(3,4-dimethoxyphenyl)methyl]-3-hydroxy-3-[[3-methoxy-4-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]methyl]oxolan-2-one |
| Canonical SMILES | OC[C@H]1O[C@@H](Oc2ccc(cc2OC)C[C@@]2(O)C(=O)OC[C@@H]2Cc2ccc(c(c2)OC)OC)[C@@H]([C@H]([C@@H]1O)O)O |
| Standard InCHI | InChI=1S/C27H34O12/c1-34-17-6-4-14(9-19(17)35-2)8-16-13-37-26(32)27(16,33)11-15-5-7-18(20(10-15)36-3)38-25-24(31)23(30)22(29)21(12-28)39-25/h4-7,9-10,16,21-25,28-31,33H,8,11-13H2,1-3H3/t16-,21+,22+,23-,24+,25+,27-/m0/s1 |
| Standard InCHIKey | LWYAMIUSVGPFKS-CGLYQLBNSA-N |
| External Identifiers | ChEMBL [N/A]; PubChem [169511]; |
| Reference of Component-Ingredient Pair | 7945856 |
Occurrence of the ingredient across TCM components
Ingredient ID: TCMC3375
Formula: C27H34O11
Ingredient ID: TCMC3375
| Common Name | Arctiin |
| IUPAC Name | (3R,4R)-4-[(3,4-dimethoxyphenyl)methyl]-3-[[3-methoxy-4-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]methyl]oxolan-2-one |
| Canonical SMILES | OC[C@H]1O[C@@H](Oc2ccc(cc2OC)C[C@H]2C(=O)OC[C@@H]2Cc2ccc(c(c2)OC)OC)[C@@H]([C@H]([C@@H]1O)O)O |
| Standard InCHI | InChI=1S/C27H34O11/c1-33-18-6-4-14(10-20(18)34-2)8-16-13-36-26(32)17(16)9-15-5-7-19(21(11-15)35-3)37-27-25(31)24(30)23(29)22(12-28)38-27/h4-7,10-11,16-17,22-25,27-31H,8-9,12-13H2,1-3H3/t16-,17+,22+,23+,24-,25+,27+/m0/s1 |
| Standard InCHIKey | XOJVHLIYNSOZOO-SWOBOCGESA-N |
| External Identifiers | ChEMBL [CHEMBL388452]; PubChem [100528]; |
| Reference of Component-Ingredient Pair | 21031625 |
Occurrence of the ingredient across TCM components
Ingredient ID: TCMC3254
Formula: C21H26N2O2
Ingredient ID: TCMC3254
| Common Name | Coronaridine |
| IUPAC Name | methyl (1S,15S,17S,18S)-17-ethyl-3,13-diazapentacyclo[13.3.1.02,10.04,9.013,18]nonadeca-2(10),4,6,8-tetraene-1-carboxylate |
| Canonical SMILES | CC[C@H]1C[C@@H]2C[NH+]3[C@@H]1[C@](C2)(C(=O)OC)c1[nH]c2c(c1CC3)cccc2 |
| Standard InCHI | InChI=1S/C21H26N2O2/c1-3-14-10-13-11-21(20(24)25-2)18-16(8-9-23(12-13)19(14)21)15-6-4-5-7-17(15)22-18/h4-7,13-14,19,22H,3,8-12H2,1-2H3/p+1/t13-,14-,19-,21+/m0/s1 |
| Standard InCHIKey | NVVDQMVGALBDGE-KSWFMABOSA-O |
| External Identifiers | ChEMBL [CHEMBL364613]; PubChem [73489]; |
| Reference of Component-Ingredient Pair | 29042244 |
Occurrence of the ingredient across TCM components
Ingredient ID: TCMC30
Formula: C15H12O7
Ingredient ID: TCMC30
| Common Name | (+)-Taxifolin |
| IUPAC Name | (2R,3R)-2-(3,4-dihydroxyphenyl)-3,5,7-trihydroxy-2,3-dihydrochromen-4-one |
| Canonical SMILES | Oc1cc2O[C@H](c3ccc(c(c3)O)O)[C@H](C(=O)c2c(c1)O)O |
| Standard InCHI | InChI=1S/C15H12O7/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/h1-5,14-19,21H/t14-,15+/m0/s1 |
| Standard InCHIKey | CXQWRCVTCMQVQX-LSDHHAIUSA-N |
| External Identifiers | ChEMBL [CHEMBL66]; PubChem [439533]; |
| Reference of Component-Ingredient Pair | 11258977 |
Occurrence of the ingredient across TCM components
| Component ID | Latin Name | Pinyin Name | Chinese Name |
|---|---|---|---|
| TCMH1096 | Inula japonica | Jin Fei Cao | 金沸草 |
| TCMH1105 | Trollius chinensis | Jin Lian Hua | 金莲花 |
| TCMH1376 | Trachelospermum jasminoides | Luo Shi Teng | 络石藤 |
| TCMH143 | Albizia julibrissin | Bei He Huan | 北合欢 |
| TCMH1437 | Rhododendron dauricum | Man Shan Hong | 满山红 |
| TCMH175 | Menispermum dauricum | Bian Fu Ge | 蝙蝠葛 |
| TCMH177 | Polygonum aviculare | Bian Xu | 萹蓄 |
| TCMH1792 | Morus alba | Sang Pi | 桑皮 |
| TCMH1797 | Morus alba | Sang Ye | 桑叶 |
| TCMH1798 | Morus alba | Sang Zhi | 桑枝 |
Showing 1 to 10 of 16 entries
Ingredient ID: TCMC2137
Formula: C15H12O7
Ingredient ID: TCMC2137
| Common Name | Taxifolin |
| IUPAC Name | 2-(3,4-dihydroxyphenyl)-3,5,7-trihydroxy-2,3-dihydrochromen-4-one |
| Canonical SMILES | Oc1cc2OC(c3ccc(c(c3)O)O)C(C(=O)c2c(c1)O)O |
| Standard InCHI | InChI=1S/C15H12O7/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/h1-5,14-19,21H |
| Standard InCHIKey | CXQWRCVTCMQVQX-UHFFFAOYSA-N |
| External Identifiers | ChEMBL [CHEMBL337309]; PubChem [471]; |
| Reference of Component-Ingredient Pair | 30006874 |
Occurrence of the ingredient across TCM components
| Component ID | Latin Name | Pinyin Name | Chinese Name |
|---|---|---|---|
| TCMH1096 | Inula japonica | Jin Fei Cao | 金沸草 |
| TCMH1275 | Nelumbo nucifera | Lian Zi | 莲子 |
| TCMH1276 | Nelumbo nucifera | Lian Zi Xin | 莲子心 |
| TCMH1376 | Trachelospermum jasminoides | Luo Shi Teng | 络石藤 |
| TCMH143 | Albizia julibrissin | Bei He Huan | 北合欢 |
| TCMH1437 | Rhododendron dauricum | Man Shan Hong | 满山红 |
| TCMH1598 | Nelumbo nucifera | Ou | 藕 |
| TCMH1599 | Nelumbo nucifera | Ou Fen | 藕粉 |
| TCMH1601 | Nelumbo nucifera | Ou Pian | 藕片 |
| TCMH177 | Polygonum aviculare | Bian Xu | 萹蓄 |
Showing 1 to 10 of 18 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: TCMC182
Formula: C9H8O4
Ingredient ID: TCMC182
| Common Name | (Z)-3-(3,4-Dihydroxyphenyl)Prop-2-Enoic Acid |
| IUPAC Name | (Z)-3-(3,4-dihydroxyphenyl)prop-2-enoic acid |
| Canonical SMILES | OC(=O)/C=Cc1ccc(c(c1)O)O |
| Standard InCHI | InChI=1S/C9H8O4/c10-7-3-1-6(5-8(7)11)2-4-9(12)13/h1-5,10-11H,(H,12,13)/b4-2- |
| Standard InCHIKey | QAIPRVGONGVQAS-RQOWECAXSA-N |
| External Identifiers | ChEMBL [CHEMBL1320034]; PubChem [1549111]; |
| 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 |
| TCMH101 | Chelidonium majus | Bai Qu Cai | 白屈菜 |
| 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 |
| 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 |
| TCMH1162 | Sarcandra glabra | Jiu Jie Cha | 九节茶 |
Showing 1 to 10 of 154 entries
Ingredient ID: TCMC1538
Formula: C20H22O6
Ingredient ID: TCMC1538
| Common Name | Matairesinol |
| IUPAC Name | (3R,4R)-3,4-bis[(4-hydroxy-3-methoxyphenyl)methyl]oxolan-2-one |
| Canonical SMILES | COc1cc(ccc1O)C[C@H]1C(=O)OC[C@@H]1Cc1ccc(c(c1)OC)O |
| Standard InCHI | InChI=1S/C20H22O6/c1-24-18-9-12(3-5-16(18)21)7-14-11-26-20(23)15(14)8-13-4-6-17(22)19(10-13)25-2/h3-6,9-10,14-15,21-22H,7-8,11H2,1-2H3/t14-,15+/m0/s1 |
| Standard InCHIKey | MATGKVZWFZHCLI-LSDHHAIUSA-N |
| External Identifiers | ChEMBL [CHEMBL425148]; PubChem [119205]; |
| Reference of Component-Ingredient Pair | 22646817 |
Occurrence of the ingredient across TCM components
| Component ID | Latin Name | Pinyin Name | Chinese Name |
|---|---|---|---|
| TCMH1272 | Forsythia suspensa | Lian Qiao | 连翘 |
| TCMH1376 | Trachelospermum jasminoides | Luo Shi Teng | 络石藤 |
| TCMH1417 | Pinus massoniana | Ma Wei Song Gen | 马尾松根 |
| TCMH1418 | Pinus massoniana | Ma Wei Song Shu Gen | 马尾松树根 |
| TCMH1562 | Arctium lappa | Niu Bang Zi | 牛蒡子 |
| TCMH2033 | Pinus massoniana | Song Xiang | 松香 |
| TCMH2035 | Pinus massoniana | Song Zhi | 松脂 |
| TCMH2267 | Periploca sepium | Xiang Jia Pi | 香加皮 |
| TCMH2367 | Linum usitatissimum | Ya Ma Zi | 亚麻子 |
| TCMH2457 | Rosa canina | Ye Mei Gui Guo | 野玫瑰果 |
Showing 1 to 10 of 11 entries
Ingredient ID: TCMC1409
Formula: C21H20O12
Ingredient ID: TCMC1409
| Common Name | Isoquercetin |
| IUPAC Name | 2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-3-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxychromen-4-one |
| Canonical SMILES | OC[C@H]1O[C@@H](Oc2c(oc3c(c2=O)c(O)cc(c3)O)c2ccc(c(c2)O)O)[C@@H]([C@H]([C@@H]1O)O)O |
| Standard InCHI | InChI=1S/C21H20O12/c22-6-13-15(27)17(29)18(30)21(32-13)33-20-16(28)14-11(26)4-8(23)5-12(14)31-19(20)7-1-2-9(24)10(25)3-7/h1-5,13,15,17-18,21-27,29-30H,6H2/t13-,15-,17+,18-,21+/m1/s1 |
| Standard InCHIKey | OVSQVDMCBVZWGM-QSOFNFLRSA-N |
| External Identifiers | ChEMBL [CHEMBL250450]; PubChem [5280804]; |
| Reference of Component-Ingredient Pair | 22667148 |
Occurrence of the ingredient across TCM components
| Component ID | Latin Name | Pinyin Name | Chinese Name |
|---|---|---|---|
| TCMH1000 | Foeniculum vulgare | Hui Xiang | 茴香 |
| TCMH101 | Chelidonium majus | Bai Qu Cai | 白屈菜 |
| TCMH1032 | Impatiens balsamina | Ji Xing Zi | 急性子 |
| TCMH1033 | Centella asiatica | Ji Xue Cao | 积雪草 |
| TCMH1127 | Lonicera japonica | Jin Yin Hua | 金银花 |
| TCMH1128 | Lonicera japonica | Jin Yin Hua Ti Qu Ye | 金银花提取液 |
| TCMH1144 | Schizonepetae herba | Jing Jie Tan | 荆芥炭 |
| TCMH1175 | Cornus officinalis | Jiu Yu Rou | 酒萸肉 |
| TCMH1198 | Rostellularia procumbens | Jue Chuang | 爵床 |
| TCMH12 | Artemisia argyi | Ai Ye | 艾叶 |
Showing 1 to 10 of 161 entries
Ingredient ID: 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: 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: TCMC113
Formula: C21H24O6
Ingredient ID: TCMC113
| Common Name | (3S,4S)-4-[(3,4-Dimethoxyphenyl)Methyl]-3-[(4-Hydroxy-3-Methoxyphenyl)Methyl]Oxolan-2-One |
| IUPAC Name | (3S,4S)-4-[(3,4-dimethoxyphenyl)methyl]-3-[(4-hydroxy-3-methoxyphenyl)methyl]oxolan-2-one |
| Canonical SMILES | COc1cc(ccc1OC)C[C@@H]1COC(=O)[C@H]1Cc1ccc(c(c1)OC)O |
| Standard InCHI | InChI=1S/C21H24O6/c1-24-18-7-5-13(11-20(18)26-3)8-15-12-27-21(23)16(15)9-14-4-6-17(22)19(10-14)25-2/h4-7,10-11,15-16,22H,8-9,12H2,1-3H3/t15-,16+/m1/s1 |
| Standard InCHIKey | NQWVSMVXKMHKTF-CVEARBPZSA-N |
| External Identifiers | ChEMBL [CHEMBL369142]; PubChem [28125531]; |
| Reference of Component-Ingredient Pair | N/A |
Occurrence of the ingredient across TCM components
| Component ID | Latin Name | Pinyin Name | Chinese Name |
|---|---|---|---|
| TCMH1272 | Forsythia suspensa | Lian Qiao | 连翘 |
| TCMH1376 | Trachelospermum jasminoides | Luo Shi Teng | 络石藤 |
| TCMH1417 | Pinus massoniana | Ma Wei Song Gen | 马尾松根 |
| TCMH1418 | Pinus massoniana | Ma Wei Song Shu Gen | 马尾松树根 |
| TCMH1562 | Arctium lappa | Niu Bang Zi | 牛蒡子 |
| TCMH2033 | Pinus massoniana | Song Xiang | 松香 |
| TCMH2035 | Pinus massoniana | Song Zhi | 松脂 |
| TCMH2098 | Saussurea involucrata | Tian Shan Xue Lian Hua | 天山雪莲花 |
| TCMH2351 | Saussurea involucrata | Xue Lian | 雪莲 |
| TCMH2352 | Saussurea involucrata | Xue Lian Hua | 雪莲花 |
Showing 1 to 10 of 12 entries
Properties
| Ingredient ID | Formulae | Name | MW | AlogP | MlogP | XlogP | # HBA | # HBD | PSA | # Rotatable Bond | # Ring | # Heacy Atom | Lipinski RO5 Violation |
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| TCMC113 | C21H24O6 | (3S,4S)-4-[(3,4-Dimethoxyphenyl)Methyl]-3-[(4-Hydroxy-3-Methoxyphenyl)Methyl]Oxolan-2-One | 372.16 | -0.5036 | 3.11 | 2.934 | 2 | 1 | 74.22 | 11 | 3 | 27 | 0 |
| TCMC1202 | C7H6O5 | Gallic Acid | 170.02 | -1.6207 | 1.68 | 0.002 | 2 | 4 | 97.99 | 5 | 1 | 12 | 0 |
| TCMC1206 | C21H20O11 | Galuteolin | 448.1 | -4.0917 | 2.56 | -0.075 | 6 | 7 | 186.37 | 11 | 4 | 32 | 1 |
| TCMC1409 | C21H20O12 | Isoquercetin | 464.1 | -4.8921 | 2.45 | -0.354 | 7 | 8 | 206.6 | 12 | 4 | 33 | 1 |
| TCMC1538 | C20H22O6 | Matairesinol | 358.14 | -0.9121 | 3 | 2.415 | 2 | 2 | 85.22 | 10 | 3 | 26 | 0 |
| TCMC182 | C9H8O4 | (Z)-3-(3,4-Dihydroxyphenyl)Prop-2-Enoic Acid | 180.04 | -0.7993 | 2.01 | 1.141 | 2 | 3 | 77.76 | 5 | 1 | 13 | 0 |
| TCMC1982 | C15H10O7 | Quercetin | 302.04 | -2.8012 | 2.34 | 1.381 | 2 | 5 | 127.45 | 6 | 3 | 22 | 0 |
| TCMC2137 | C15H12O7 | Taxifolin | 304.06 | -2.9269 | 2.34 | 0.028 | 2 | 5 | 127.45 | 6 | 3 | 22 | 0 |
| TCMC30 | C15H12O7 | (+)-Taxifolin | 304.06 | -2.9269 | 2.34 | 0.028 | 2 | 5 | 127.45 | 6 | 3 | 22 | 0 |
| TCMC3254 | C21H26N2O2 | Coronaridine | 339.2072531 | -2.4598 | 3.33 | 3.782 | 3 | 2 | 46.53 | 3 | 3 | 25 | 0 |
Showing 1 to 10 of 34 entries
Download Data
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