Component ID |
TCMH2150 |
Latin Name |
Cuscuta australis |
English Name |
Dodder seed |
Chinese Pinyin Name |
Tu Si Zi Teng |
中文名 |
菟丝子藤 |
TCM Properties |
|
TCM Meridians |
|
Therapeutic Class English |
|
Therapeutic Class Chinese |
|
Functions |
|
Toxicity |
NA |
Geo-authentic habitats (道地产区) |
NA |
Reference |
Chinese Classical Prescriptions |
Barcode ID |
ITSAP4209-14 |
Barcode Source |
BOLDSYSTEMS |
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 |
TCMT126 | TERT | Telomerase reverse transcriptase | Transferase | O14746 |
TCMT127 | PARP1 | Poly [ADP-ribose] polymerase-1 | Transferase | P09874 |
TCMT128 | TNKS2 | Tankyrase-2 | Transferase | Q9H2K2 |
TCMT129 | TNKS | Tankyrase-1 | Transferase | O95271 |
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 |
TCMT1176 | Streptococcus pneumoniae |
Ingredient ID: TCMC908
Formula: C15H10O4
Common Name | Chrysin |
IUPAC Name | 5,7-dihydroxy-2-phenylchromen-4-one |
Canonical SMILES | Oc1cc(O)c2c(c1)oc(cc2=O)c1ccccc1 |
Standard InCHI | InChI=1S/C15H10O4/c16-10-6-11(17)15-12(18)8-13(19-14(15)7-10)9-4-2-1-3-5-9/h1-8,16-17H |
Standard InCHIKey | RTIXKCRFFJGDFG-UHFFFAOYSA-N |
External Identifiers | ChEMBL [CHEMBL117]; PubChem [5281607]; |
Reference of Component-Ingredient Pair | 29162470 |
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 |
TCMH1181 | Chrysanthemum morifolium | Ju Hua | 菊花 |
TCMH1437 | Rhododendron dauricum | Man Shan Hong | 满山红 |
TCMH1490 | Aster tataricus | Mi Zi Wan | 蜜紫菀 |
TCMH1519 | Oroxylum indicum | Mu Hu Die | 木蝴蝶 |
TCMH1622 | Scutellaria baicalensis | Pian Qin | 片芩 |
TCMH1714 | Lonicera japonica | Ren Dong Teng | 忍冬藤 |
TCMH1823 | Alpinia zerumbet | Shan Jiang | 山姜 |
TCMH2071 | Prunus persica | Tao | 桃 |
Ingredient ID: TCMC897
Formula: C16H18O9
Common Name | Chlorogenic Acid |
IUPAC Name | (1S,3R,4R,5R)-3-[(E)-3-(3,4-dihydroxyphenyl)prop-2-enoyl]oxy-1,4,5-trihydroxycyclohexane-1-carboxylic acid |
Canonical SMILES | O=C(O[C@@H]1C[C@@](O)(C[C@H]([C@H]1O)O)C(=O)O)/C=C/c1ccc(c(c1)O)O |
Standard InCHI | InChI=1S/C16H18O9/c17-9-3-1-8(5-10(9)18)2-4-13(20)25-12-7-16(24,15(22)23)6-11(19)14(12)21/h1-5,11-12,14,17-19,21,24H,6-7H2,(H,22,23)/b4-2+/t11-,12-,14-,16+/m1/s1 |
Standard InCHIKey | CWVRJTMFETXNAD-JUHZACGLSA-N |
External Identifiers | ChEMBL [CHEMBL284616]; PubChem [1794427]; |
Reference of Component-Ingredient Pair | 29136249 |
Component ID | Latin Name | Pinyin Name | Chinese Name |
---|---|---|---|
TCMH1000 | Foeniculum vulgare | Hui Xiang | 茴香 |
TCMH1008 | Pogostemon cablin | Huo Xiang | 藿香 |
TCMH1009 | Pogostemon cablin | Huo Xiang Ye | 藿香叶 |
TCMH1011 | Sargentodoxa cuneata | Huo Xue Teng | 活血藤 |
TCMH1025 | Loropetalum chinense | Ji Mu Ye Jin Gao | 继木叶浸膏 |
TCMH1033 | Centella asiatica | Ji Xue Cao | 积雪草 |
TCMH1064 | Coptis chinensis | Jiang Huang Lian | 姜黄连 |
TCMH108 | Perilla frutescens | Bai Su Zi | 白苏子 |
TCMH1096 | Inula japonica | Jin Fei Cao | 金沸草 |
TCMH1127 | Lonicera japonica | Jin Yin Hua | 金银花 |
Ingredient ID: TCMC737
Formula: C21H20O11
Common Name | Astragalin |
IUPAC Name | 5,7-dihydroxy-2-(4-hydroxyphenyl)-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(cc2)O)[C@@H]([C@H]([C@@H]1O)O)O |
Standard InCHI | InChI=1S/C21H20O11/c22-7-13-15(26)17(28)18(29)21(31-13)32-20-16(27)14-11(25)5-10(24)6-12(14)30-19(20)8-1-3-9(23)4-2-8/h1-6,13,15,17-18,21-26,28-29H,7H2/t13-,15-,17+,18-,21+/m1/s1 |
Standard InCHIKey | JPUKWEQWGBDDQB-QSOFNFLRSA-N |
External Identifiers | ChEMBL [CHEMBL233930]; PubChem [5282102]; |
Reference of Component-Ingredient Pair | 22667148 |
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 |
TCMH1118 | Lygodium japonicum | Jin Sha Teng | 金沙藤 |
TCMH1127 | Lonicera japonica | Jin Yin Hua | 金银花 |
TCMH1128 | Lonicera japonica | Jin Yin Hua Ti Qu Ye | 金银花提取液 |
TCMH120 | Atractylodes macrocephala | Bai Zhu | 白术 |
TCMH1223 | Tussilago farfara | Kuan Dong Hua | 款冬花 |
Ingredient ID: TCMC710
Formula: C15H10O5
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 |
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 |
Ingredient ID: TCMC469
Formula: C25H24O12
Common Name | 4,5-Dicaffeoylquinic Acid |
IUPAC Name | (1R,3R,4S,5R)-3,4-bis[[(E)-3-(3,4-dihydroxyphenyl)prop-2-enoyl]oxy]-1,5-dihydroxycyclohexane-1-carboxylic acid |
Canonical SMILES | O=C(O[C@H]1[C@H](O)C[C@](C[C@H]1OC(=O)/C=C/c1ccc(c(c1)O)O)(O)C(=O)O)/C=C/c1ccc(c(c1)O)O |
Standard InCHI | InChI=1S/C25H24O12/c26-15-5-1-13(9-17(15)28)3-7-21(31)36-20-12-25(35,24(33)34)11-19(30)23(20)37-22(32)8-4-14-2-6-16(27)18(29)10-14/h1-10,19-20,23,26-30,35H,11-12H2,(H,33,34)/b7-3+,8-4+/t19-,20-,23+,25-/m1/s1 |
Standard InCHIKey | UFCLZKMFXSILNL-RVXRWRFUSA-N |
External Identifiers | ChEMBL [CHEMBL177126]; PubChem [6474309]; |
Reference of Component-Ingredient Pair | 22701506 |
Component ID | Latin Name | Pinyin Name | Chinese Name |
---|---|---|---|
TCMH1033 | Centella asiatica | Ji Xue Cao | 积雪草 |
TCMH1127 | Lonicera japonica | Jin Yin Hua | 金银花 |
TCMH1128 | Lonicera japonica | Jin Yin Hua Ti Qu Ye | 金银花提取液 |
TCMH1162 | Sarcandra glabra | Jiu Jie Cha | 九节茶 |
TCMH12 | Artemisia argyi | Ai Ye | 艾叶 |
TCMH1223 | Tussilago farfara | Kuan Dong Hua | 款冬花 |
TCMH13 | Artemisia argyi | Ai Ye You | 艾叶油 |
TCMH1483 | Tussilago farfara | Mi Kuan Dong Hua | 蜜款冬花 |
TCMH1490 | Aster tataricus | Mi Zi Wan | 蜜紫菀 |
TCMH1531 | Akebia quinata | Mu Tong | 木通 |
Ingredient ID: TCMC2325
Formula: C21H20O11
Common Name | Trifolin |
IUPAC Name | 5,7-dihydroxy-2-(4-hydroxyphenyl)-3-[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxychromen-4-one |
Canonical SMILES | OC[C@H]1O[C@@H](Oc2c(oc3c(c2=O)c(O)cc(c3)O)c2ccc(cc2)O)[C@@H]([C@H]([C@H]1O)O)O |
Standard InCHI | InChI=1S/C21H20O11/c22-7-13-15(26)17(28)18(29)21(31-13)32-20-16(27)14-11(25)5-10(24)6-12(14)30-19(20)8-1-3-9(23)4-2-8/h1-6,13,15,17-18,21-26,28-29H,7H2/t13-,15+,17+,18-,21+/m1/s1 |
Standard InCHIKey | JPUKWEQWGBDDQB-DTGCRPNFSA-N |
External Identifiers | ChEMBL [CHEMBL453290]; PubChem [5282149]; |
Reference of Component-Ingredient Pair | 17072829 |
Component ID | Latin Name | Pinyin Name | Chinese Name |
---|---|---|---|
TCMH1275 | Nelumbo nucifera | Lian Zi | 莲子 |
TCMH1276 | Nelumbo nucifera | Lian Zi Xin | 莲子心 |
TCMH1367 | Apocynum venetum | Luo Bu Ma | 罗布麻 |
TCMH1435 | Psychotria serpens | Man Jiu Jie | 蔓九节 |
TCMH1598 | Nelumbo nucifera | Ou | 藕 |
TCMH1599 | Nelumbo nucifera | Ou Fen | 藕粉 |
TCMH1601 | Nelumbo nucifera | Ou Pian | 藕片 |
TCMH1721 | Panax ginseng | Ren Shen | 人参 |
TCMH1728 | Panax ginseng | Ren Shen Ye | 人参叶 |
TCMH1839 | Panax ginseng | Shan Shen | 山参 |
Ingredient ID: TCMC2324
Formula: C10H16
Common Name | Limonene |
IUPAC Name | (4R)-1-methyl-4-prop-1-en-2-ylcyclohexene |
Canonical SMILES | CC1=CC[C@@H](CC1)C(=C)C |
Standard InCHI | InChI=1S/C10H16/c1-8(2)10-6-4-9(3)5-7-10/h4,10H,1,5-7H2,2-3H3/t10-/m0/s1 |
Standard InCHIKey | XMGQYMWWDOXHJM-JTQLQIEISA-N |
External Identifiers | ChEMBL [CHEMBL449062]; PubChem [440917]; |
Reference of Component-Ingredient Pair | 22945026 |
Component ID | Latin Name | Pinyin Name | Chinese Name |
---|---|---|---|
TCMH1000 | Foeniculum vulgare | Hui Xiang | 茴香 |
TCMH1063 | Curcuma longa | Jiang Huang | 姜黄 |
TCMH108 | Perilla frutescens | Bai Su Zi | 白苏子 |
TCMH1141 | Schizonepeta tenuifolia | Jing Jie | 荆芥 |
TCMH1142 | Schizonepetae spica | Jing Jie Sui | 荆芥穗 |
TCMH1165 | Murraya paniculata | Jiu Li Xiang | 九里香 |
TCMH1178 | Citrus reticulata | Ju He | 橘核 |
TCMH1184 | Citrus reticulata | Ju Pi | 橘皮 |
TCMH1185 | Lycium chinense | Gou Qi | 枸杞 |
TCMH1186 | Lycium chinense | Gou Qi Zi | 枸杞子 |
Ingredient ID: TCMC2138
Formula: C16H12O4
Common Name | Techtochrysin |
IUPAC Name | 5-hydroxy-7-methoxy-2-phenylchromen-4-one |
Canonical SMILES | COc1cc(O)c2c(c1)oc(cc2=O)c1ccccc1 |
Standard InCHI | InChI=1S/C16H12O4/c1-19-11-7-12(17)16-13(18)9-14(20-15(16)8-11)10-5-3-2-4-6-10/h2-9,17H,1H3 |
Standard InCHIKey | IRZVHDLBAYNPCT-UHFFFAOYSA-N |
External Identifiers | ChEMBL [CHEMBL164841]; PubChem [5281954]; |
Reference of Component-Ingredient Pair | 21416454 |
Component ID | Latin Name | Pinyin Name | Chinese Name |
---|---|---|---|
TCMH109 | Pulsatilla chinensis | Bai Tou Weng | 白头翁 |
TCMH1490 | Aster tataricus | Mi Zi Wan | 蜜紫菀 |
TCMH1519 | Oroxylum indicum | Mu Hu Die | 木蝴蝶 |
TCMH1622 | Scutellaria baicalensis | Pian Qin | 片芩 |
TCMH1823 | Alpinia zerumbet | Shan Jiang | 山姜 |
TCMH2148 | Cuscuta australis | Tu Si Rou | 菟丝肉 |
TCMH2149 | Cuscuta australis | Tu Si Zi | 菟丝子 |
TCMH2150 | Cuscuta australis | Tu Si Zi Teng | 菟丝子藤 |
TCMH2488 | Alpinia oxyphylla | Yi Zhi | 益智 |
TCMH2491 | Alpinia oxyphylla | Yi Zhi Ren | 益智仁 |
Ingredient ID: TCMC2066
Formula: C20H18O6
Common Name | Sesamin |
IUPAC Name | 5-[(3S,3aR,6S,6aR)-3-(1,3-benzodioxol-5-yl)-1,3,3a,4,6,6a-hexahydrofuro[3,4-c]furan-6-yl]-1,3-benzodioxole |
Canonical SMILES | C1Oc2c(O1)cc(cc2)[C@H]1OC[C@H]2[C@@H]1CO[C@@H]2c1ccc2c(c1)OCO2 |
Standard InCHI | InChI=1S/C20H18O6/c1-3-15-17(25-9-23-15)5-11(1)19-13-7-22-20(14(13)8-21-19)12-2-4-16-18(6-12)26-10-24-16/h1-6,13-14,19-20H,7-10H2/t13-,14-,19+,20+/m0/s1 |
Standard InCHIKey | PEYUIKBAABKQKQ-AFHBHXEDSA-N |
External Identifiers | ChEMBL [CHEMBL252915]; PubChem [72307]; |
Reference of Component-Ingredient Pair | 23337743 |
Component ID | Latin Name | Pinyin Name | Chinese Name |
---|---|---|---|
TCMH1045 | Piper sarmentosum | Jia Ju | 假蒟 |
TCMH1051 | Piper sarmentosum | Jia 蒟ye | 假蒟叶 |
TCMH1187 | Gynura japonica | Ju San Qi | 菊三七 |
TCMH1191 | Gynura japonica | Ju Ye San Qi | 菊叶三七 |
TCMH1305 | Laggera alata | Liu Ling Ju | 六棱菊 |
TCMH1460 | Zanthoxylum nitidum | Mao Liang Mian Zhen | 毛两面针 |
TCMH158 | Piper longum | Bi Ba | 荜茇 |
TCMH2148 | Cuscuta australis | Tu Si Rou | 菟丝肉 |
TCMH2149 | Cuscuta australis | Tu Si Zi | 菟丝子 |
TCMH2150 | Cuscuta australis | Tu Si Zi Teng | 菟丝子藤 |
Ingredient ID: TCMC2031
Formula: C27H30O16
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 |
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 |
Ingredient ID: TCMC1982
Formula: C15H10O7
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 |
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 |
Ingredient ID: TCMC1901
Formula: C15H14O2
Common Name | Pinosylvin Methyl Ether |
IUPAC Name | 3-methoxy-5-[(E)-2-phenylethenyl]phenol |
Canonical SMILES | COc1cc(/C=C/c2ccccc2)cc(c1)O |
Standard InCHI | InChI=1S/C15H14O2/c1-17-15-10-13(9-14(16)11-15)8-7-12-5-3-2-4-6-12/h2-11,16H,1H3/b8-7+ |
Standard InCHIKey | JVIXPWIEOVZVJC-BQYQJAHWSA-N |
External Identifiers | ChEMBL [CHEMBL186366]; PubChem [5281719]; |
Reference of Component-Ingredient Pair | N/A |
Component ID | Latin Name | Pinyin Name | Chinese Name |
---|---|---|---|
TCMH128 | Castanea mollissima | Ban Li Ke | 板栗壳 |
TCMH1490 | Aster tataricus | Mi Zi Wan | 蜜紫菀 |
TCMH1622 | Scutellaria baicalensis | Pian Qin | 片芩 |
TCMH2148 | Cuscuta australis | Tu Si Rou | 菟丝肉 |
TCMH2149 | Cuscuta australis | Tu Si Zi | 菟丝子 |
TCMH2150 | Cuscuta australis | Tu Si Zi Teng | 菟丝子藤 |
TCMH2200 | Firmiana simplex | Wu Tong Ye Jin Gao | 梧桐叶浸膏 |
TCMH264 | Laggera pterodonta | Chu Ling Dan | 臭灵丹 |
TCMH265 | Laggera pterodonta | Chu Ling Dan Cao | 臭灵丹草 |
TCMH2728 | Aster tataricus | Zi Wan | 紫菀 |
Ingredient ID: TCMC182
Formula: C9H8O4
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 |
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 |
Ingredient ID: TCMC1788
Formula: C18H34O2
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 |
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 |
Ingredient ID: TCMC1495
Formula: C18H32O2
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 |
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 |
Ingredient ID: TCMC1430
Formula: C21H20O11
Common Name | Kaempferol 3-O-D-Galactoside |
IUPAC Name | 5,7-dihydroxy-2-(4-hydroxyphenyl)-3-[(3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxychromen-4-one |
Canonical SMILES | OC[C@H]1OC(Oc2c(oc3c(c2=O)c(O)cc(c3)O)c2ccc(cc2)O)[C@@H]([C@H]([C@H]1O)O)O |
Standard InCHI | InChI=1S/C21H20O11/c22-7-13-15(26)17(28)18(29)21(31-13)32-20-16(27)14-11(25)5-10(24)6-12(14)30-19(20)8-1-3-9(23)4-2-8/h1-6,13,15,17-18,21-26,28-29H,7H2/t13-,15+,17+,18-,21?/m1/s1 |
Standard InCHIKey | JPUKWEQWGBDDQB-HBDJNLTOSA-N |
External Identifiers | ChEMBL [CHEMBL2297279]; PubChem [5488283]; |
Reference of Component-Ingredient Pair | N/A |
Component ID | Latin Name | Pinyin Name | Chinese Name |
---|---|---|---|
TCMH1275 | Nelumbo nucifera | Lian Zi | 莲子 |
TCMH1276 | Nelumbo nucifera | Lian Zi Xin | 莲子心 |
TCMH1367 | Apocynum venetum | Luo Bu Ma | 罗布麻 |
TCMH1598 | Nelumbo nucifera | Ou | 藕 |
TCMH1599 | Nelumbo nucifera | Ou Fen | 藕粉 |
TCMH1601 | Nelumbo nucifera | Ou Pian | 藕片 |
TCMH1792 | Morus alba | Sang Pi | 桑皮 |
TCMH1797 | Morus alba | Sang Ye | 桑叶 |
TCMH1798 | Morus alba | Sang Zhi | 桑枝 |
TCMH2119 | Tetrapanax papyriferus | Tong Cao | 通草 |
Ingredient ID: TCMC1429
Formula: C15H10O6
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 |
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 |
Ingredient ID: TCMC1411
Formula: C16H12O7
Common Name | Isorhamnetin |
IUPAC Name | 3,5,7-trihydroxy-2-(4-hydroxy-3-methoxyphenyl)chromen-4-one |
Canonical SMILES | COc1cc(ccc1O)c1oc2cc(O)cc(c2c(=O)c1O)O |
Standard InCHI | InChI=1S/C16H12O7/c1-22-11-4-7(2-3-9(11)18)16-15(21)14(20)13-10(19)5-8(17)6-12(13)23-16/h2-6,17-19,21H,1H3 |
Standard InCHIKey | IZQSVPBOUDKVDZ-UHFFFAOYSA-N |
External Identifiers | ChEMBL [CHEMBL379064]; PubChem [5281654]; |
Reference of Component-Ingredient Pair | 23046518 |
Component ID | Latin Name | Pinyin Name | Chinese Name |
---|---|---|---|
TCMH1000 | Foeniculum vulgare | Hui Xiang | 茴香 |
TCMH1022 | Celosia cristata | Ji Guan Hua | 鸡冠花 |
TCMH1096 | Inula japonica | Jin Fei Cao | 金沸草 |
TCMH1105 | Trollius chinensis | Jin Lian Hua | 金莲花 |
TCMH1117 | Rhizoma fagopyri cymosi | Jin Qiao Mai | 金荞麦 |
TCMH1133 | Rosa laevigata | Jin Ying Zi | 金樱子 |
TCMH1134 | Rosa laevigata | Jin Ying Zi Rou | 金樱子肉 |
TCMH1135 | Rosa laevigata | Jin Ying Zi Ti Qu Ye | 金樱子提取液 |
TCMH1272 | Forsythia suspensa | Lian Qiao | 连翘 |
TCMH1275 | Nelumbo nucifera | Lian Zi | 莲子 |
Ingredient ID: TCMC1356
Formula: C21H20O12
Common Name | Hyperoside |
IUPAC Name | 2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-3-[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxychromen-4-one |
Canonical SMILES | OC[C@H]1O[C@@H](Oc2c(oc3c(c2=O)c(O)cc(c3)O)c2ccc(c(c2)O)O)[C@@H]([C@H]([C@H]1O)O)O |
Standard InCHI | InChI=1S/C21H20O12/c22-6-13-15(27)17(29)18(30)21(32-13)33-20-16(28)14-11(26)4-8(23)5-12(14)31-19(20)7-1-2-9(24)10(25)3-7/h1-5,13,15,17-18,21-27,29-30H,6H2/t13-,15+,17+,18-,21+/m1/s1 |
Standard InCHIKey | OVSQVDMCBVZWGM-DTGCRPNFSA-N |
External Identifiers | ChEMBL [CHEMBL251254]; PubChem [5281643]; |
Reference of Component-Ingredient Pair | 27019979 |
Component ID | Latin Name | Pinyin Name | Chinese Name |
---|---|---|---|
TCMH1000 | Foeniculum vulgare | Hui Xiang | 茴香 |
TCMH1008 | Pogostemon cablin | Huo Xiang | 藿香 |
TCMH1009 | Pogostemon cablin | Huo Xiang Ye | 藿香叶 |
TCMH1099 | Gymnema sylvestre | Jin Gang Teng | 金刚藤 |
TCMH1100 | Gymnema sylvestre | Jin Gang Tou | 金刚头 |
TCMH1127 | Lonicera japonica | Jin Yin Hua | 金银花 |
TCMH1128 | Lonicera japonica | Jin Yin Hua Ti Qu Ye | 金银花提取液 |
TCMH1175 | Cornus officinalis | Jiu Yu Rou | 酒萸肉 |
TCMH12 | Artemisia argyi | Ai Ye | 艾叶 |
TCMH1223 | Tussilago farfara | Kuan Dong Hua | 款冬花 |
Ingredient ID | Formulae | Name | MW | AlogP | MlogP | XlogP | # HBA | # HBD | PSA | # Rotatable Bond | # Ring | # Heacy Atom | Lipinski RO5 Violation |
---|---|---|---|---|---|---|---|---|---|---|---|---|---|
TCMC1356 | C21H20O12 | Hyperoside | 464.1 | -4.8921 | 2.45 | -0.354 | 7 | 8 | 206.6 | 12 | 4 | 33 | 1 |
TCMC1411 | C16H12O7 | Isorhamnetin | 316.06 | -2.3927 | 2.45 | 1.471 | 2 | 4 | 116.45 | 7 | 3 | 23 | 0 |
TCMC1429 | C15H10O6 | Kaempferol | 286.05 | -2.3409 | 2.45 | 1.915 | 2 | 4 | 107.22 | 5 | 3 | 21 | 0 |
TCMC1430 | C21H20O11 | Kaempferol 3-O-D-Galactoside | 448.1 | -4.4318 | 2.56 | 0.18 | 7 | 7 | 186.37 | 11 | 4 | 32 | 1 |
TCMC1495 | C18H32O2 | Linoleic Acid | 280.24 | -0.9485 | 3.22 | 7.865 | 2 | 1 | 37.3 | 16 | 0 | 20 | 2 |
TCMC1788 | C18H34O2 | Oleic Acid | 282.26 | -2.3427 | 3.22 | 8.192 | 2 | 1 | 37.3 | 17 | 0 | 20 | 2 |
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 |
TCMC1901 | C15H14O2 | Pinosylvin Methyl Ether | 226.1 | -0.0443 | 2.89 | 5.973 | 0 | 1 | 29.46 | 5 | 2 | 17 | 1 |
TCMC1982 | C15H10O7 | Quercetin | 302.04 | -2.8012 | 2.34 | 1.381 | 2 | 5 | 127.45 | 6 | 3 | 22 | 0 |
TCMC2031 | C27H30O16 | Rutin | 610.15 | -6.139 | 2.67 | -1.188 | 11 | 10 | 265.52 | 17 | 5 | 43 | 2 |