Description of the Component
Component ID |
TCMH1062 |
Latin Name |
Glycine max |
English Name |
Soybean paste |
Chinese Pinyin Name |
Jiang Gao |
中文名 |
姜膏 |
TCM Properties |
|
TCM Meridians |
|
Therapeutic Class English |
|
Therapeutic Class Chinese |
|
Functions |
|
Toxicity |
NA |
Geo-authentic habitats (道地产区) |
NA |
Reference |
Chinese Pharmacopoeia (2015) |
Barcode ID |
ITSAJ4675-14 |
Barcode Source |
BOLDSYSTEMS |
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 98 entries
Targeted Pathogenic Microbes by the Ingredient of Component
| Target ID | Target Name |
|---|---|
| TCMT1090 | Human immunodeficiency virus type 1 integrase |
| TCMT1092 | Fatty acid synthase |
| TCMT1099 | Neuraminidase |
| TCMT1121 | Sialidase |
| TCMT1136 | Neuraminidase |
| TCMT1209 | Staphylococcus haemolyticus |
| TCMT1218 | Staphylococcus aureus |
| TCMT1221 | Human herpesvirus 4 |
| TCMT1223 | Staphylococcus epidermidis |
| TCMT1226 | Klebsiella pneumoniae |
Showing 1 to 10 of 25 entries
Ingredient Structrues
Ingredient ID: TCMC984
Formula: C21H20O9
Ingredient ID: TCMC984
| Common Name | Daidzin |
| IUPAC Name | 3-(4-hydroxyphenyl)-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](Oc2ccc3c(c2)occ(c3=O)c2ccc(cc2)O)[C@@H]([C@H]([C@@H]1O)O)O |
| Standard InCHI | InChI=1S/C21H20O9/c22-8-16-18(25)19(26)20(27)21(30-16)29-12-5-6-13-15(7-12)28-9-14(17(13)24)10-1-3-11(23)4-2-10/h1-7,9,16,18-23,25-27H,8H2/t16-,18-,19+,20-,21-/m1/s1 |
| Standard InCHIKey | KYQZWONCHDNPDP-QNDFHXLGSA-N |
| External Identifiers | ChEMBL [CHEMBL486422]; PubChem [107971]; |
| Reference of Component-Ingredient Pair | 27424125 |
Occurrence of the ingredient across TCM components
| Component ID | Latin Name | Pinyin Name | Chinese Name |
|---|---|---|---|
| TCMH1059 | Glycine max | Jiang | 姜 |
| TCMH1062 | Glycine max | Jiang Gao | 姜膏 |
| TCMH1067 | Glycine max | Jiang Tan | 姜炭 |
| TCMH1165 | Murraya paniculata | Jiu Li Xiang | 九里香 |
| TCMH2218 | Rubia cordifolia | Qian Cao Teng | 茜草藤 |
| TCMH2726 | Pterocarpus indicus | Zi Tan | 紫檀 |
| TCMH397 | Glycine max | Dan Dou Gu | 淡豆鼓 |
| TCMH416 | Glycine max | Dan Xiang Chi | 淡香豉 |
| TCMH515 | Glycine max | Dou You | 豆油 |
| TCMH644 | Pueraria lobata | Gan Ge | 干葛 |
Showing 1 to 10 of 14 entries
Ingredient ID: TCMC983
Formula: C15H10O4
Ingredient ID: TCMC983
| Common Name | Daidzein |
| IUPAC Name | 7-hydroxy-3-(4-hydroxyphenyl)chromen-4-one |
| Canonical SMILES | Oc1ccc(cc1)c1coc2c(c1=O)ccc(c2)O |
| Standard InCHI | InChI=1S/C15H10O4/c16-10-3-1-9(2-4-10)13-8-19-14-7-11(17)5-6-12(14)15(13)18/h1-8,16-17H |
| Standard InCHIKey | ZQSIJRDFPHDXIC-UHFFFAOYSA-N |
| External Identifiers | ChEMBL [CHEMBL8145]; PubChem [5281708]; |
| Reference of Component-Ingredient Pair | 29217487 |
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 |
| TCMH1059 | Glycine max | Jiang | 姜 |
| TCMH1062 | Glycine max | Jiang Gao | 姜膏 |
| TCMH1067 | Glycine max | Jiang Tan | 姜炭 |
| TCMH1165 | Murraya paniculata | Jiu Li Xiang | 九里香 |
| TCMH1211 | Melia azedarach | Ku Lian Pi | 苦楝皮 |
| TCMH1212 | Melia azedarach | Ku Lian Zi | 苦楝子 |
| TCMH1475 | Glycyrrhiza uralensis | Mi Gan Cao | 蜜甘草 |
Showing 1 to 10 of 44 entries
Ingredient ID: TCMC965
Formula: C15H10O6.ClH
Ingredient ID: TCMC965
| Common Name | Cyanidin Chloride |
| IUPAC Name | 2-(3,4-dihydroxyphenyl)chromenylium-3,5,7-triol;chloride |
| Canonical SMILES | Oc1cc(O)c2c(c1)[o+]c(c(c2)[O-])c1ccc(c(c1)O)O.Cl |
| Standard InCHI | InChI=1S/C15H10O6.ClH/c16-8-4-11(18)9-6-13(20)15(21-14(9)5-8)7-1-2-10(17)12(19)3-7;/h1-6H,(H4-,16,17,18,19,20);1H |
| Standard InCHIKey | COAWNPJQKJEHPG-UHFFFAOYSA-N |
| External Identifiers | ChEMBL [CHEMBL511367]; PubChem [68247]; |
| Reference of Component-Ingredient Pair | N/A |
Occurrence of the ingredient across TCM components
| Component ID | Latin Name | Pinyin Name | Chinese Name |
|---|---|---|---|
| TCMH1059 | Glycine max | Jiang | 姜 |
| TCMH1062 | Glycine max | Jiang Gao | 姜膏 |
| TCMH1067 | Glycine max | Jiang Tan | 姜炭 |
| TCMH397 | Glycine max | Dan Dou Gu | 淡豆鼓 |
| TCMH416 | Glycine max | Dan Xiang Chi | 淡香豉 |
| TCMH515 | Glycine max | Dou You | 豆油 |
| TCMH833 | Glycine max | Hei Da Dou | 黑大豆 |
Showing 1 to 7 of 7 entries
Ingredient ID: TCMC964
Formula: C15H10O6
Ingredient ID: TCMC964
| Common Name | Cyanidin |
| IUPAC Name | 2-(3,4-dihydroxyphenyl)chromenylium-3,5,7-triol |
| Canonical SMILES | Oc1cc(O)c2c(c1)[o+]c(c(c2)O)c1ccc(c(c1)O)O |
| Standard InCHI | InChI=1S/C15H10O6/c16-8-4-11(18)9-6-13(20)15(21-14(9)5-8)7-1-2-10(17)12(19)3-7/h1-6H,(H4-,16,17,18,19,20)/p+1 |
| Standard InCHIKey | VEVZSMAEJFVWIL-UHFFFAOYSA-O |
| External Identifiers | ChEMBL [CHEMBL404515]; PubChem [128861]; |
| Reference of Component-Ingredient Pair | N/A |
Occurrence of the ingredient across TCM components
| Component ID | Latin Name | Pinyin Name | Chinese Name |
|---|---|---|---|
| TCMH1059 | Glycine max | Jiang | 姜 |
| TCMH1062 | Glycine max | Jiang Gao | 姜膏 |
| TCMH1067 | Glycine max | Jiang Tan | 姜炭 |
| TCMH108 | Perilla frutescens | Bai Su Zi | 白苏子 |
| TCMH1121 | Cardiospermum halicacabum | Jin Si Ku Lian | 金丝苦楝 |
| TCMH1943 | Punica granatum | Shi Liu | 石榴 |
| TCMH1944 | Punica granatum | Shi Liu Pi | 石榴皮 |
| TCMH1945 | Punica granatum | Shi Liu Zi | 石榴子 |
| TCMH2050 | Punica granatum | Suan Shi Liu | 酸石榴 |
| TCMH2213 | Ipomoea cairica | Wu Zhao Long | 五爪龙 |
Showing 1 to 10 of 14 entries
Ingredient ID: TCMC950
Formula: C15H8O5
Ingredient ID: TCMC950
| Common Name | Coumestrol |
| IUPAC Name | 3,9-dihydroxy-[1]benzofuro[3,2-c]chromen-6-one |
| Canonical SMILES | Oc1ccc2c(c1)oc(=O)c1c2oc2c1ccc(c2)O |
| Standard InCHI | InChI=1S/C15H8O5/c16-7-1-3-9-11(5-7)19-14-10-4-2-8(17)6-12(10)20-15(18)13(9)14/h1-6,16-17H |
| Standard InCHIKey | ZZIALNLLNHEQPJ-UHFFFAOYSA-N |
| External Identifiers | ChEMBL [CHEMBL30707]; PubChem [5281707]; |
| Reference of Component-Ingredient Pair | 29152682 |
Occurrence of the ingredient across TCM components
| Component ID | Latin Name | Pinyin Name | Chinese Name |
|---|---|---|---|
| TCMH1059 | Glycine max | Jiang | 姜 |
| TCMH1062 | Glycine max | Jiang Gao | 姜膏 |
| TCMH1067 | Glycine max | Jiang Tan | 姜炭 |
| TCMH1734 | Homo sapiens | Ren Zhong Bai | 人中白 |
| TCMH2051 | Ziziphus jujuba var. spinosa | Suan Zao | 酸枣 |
| TCMH2052 | Ziziphus jujuba var. spinosa | Suan Zao Ren | 酸枣仁 |
| TCMH2573 | Ziziphus jujuba var. spinosa | Zao Ren | 枣仁 |
| TCMH2710 | Homo sapiens | Zi He Che | 紫河车 |
| TCMH388 | Ziziphus jujuba | Da Zao | 大枣 |
| TCMH397 | Glycine max | Dan Dou Gu | 淡豆鼓 |
Showing 1 to 10 of 17 entries
Ingredient ID: TCMC920
Formula: C17H14O6
Ingredient ID: TCMC920
| Common Name | Cirsimaritin |
| IUPAC Name | 5-hydroxy-2-(4-hydroxyphenyl)-6,7-dimethoxychromen-4-one |
| Canonical SMILES | COc1cc2oc(cc(=O)c2c(c1OC)O)c1ccc(cc1)O |
| Standard InCHI | InChI=1S/C17H14O6/c1-21-14-8-13-15(16(20)17(14)22-2)11(19)7-12(23-13)9-3-5-10(18)6-4-9/h3-8,18,20H,1-2H3 |
| Standard InCHIKey | ZIIAJIWLQUVGHB-UHFFFAOYSA-N |
| External Identifiers | ChEMBL [CHEMBL348436]; PubChem [188323]; |
| Reference of Component-Ingredient Pair | 22623883 |
Occurrence of the ingredient across TCM components
| Component ID | Latin Name | Pinyin Name | Chinese Name |
|---|---|---|---|
| TCMH1059 | Glycine max | Jiang | 姜 |
| TCMH1062 | Glycine max | Jiang Gao | 姜膏 |
| TCMH1067 | Glycine max | Jiang Tan | 姜炭 |
| TCMH1105 | Trollius chinensis | Jin Lian Hua | 金莲花 |
| TCMH1178 | Citrus reticulata | Ju He | 橘核 |
| TCMH1184 | Citrus reticulata | Ju Pi | 橘皮 |
| TCMH1431 | Vitex trifolia | Man Jing Ye | 蔓荆叶 |
| TCMH1432 | Vitex trifolia | Man Jing Zi | 蔓荆子 |
| TCMH1846 | Artemisia capillaris | Shan Yin Chen | 山茵陈 |
| TCMH2154 | Artemisia capillaris | Tu Yin Chen Hao | 土茵陈蒿 |
Showing 1 to 10 of 21 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: TCMC626
Formula: C6H6O6
Ingredient ID: TCMC626
| Common Name | Aconitic Acid |
| IUPAC Name | (E)-prop-1-ene-1,2,3-tricarboxylic acid |
| Canonical SMILES | OC(=O)C/C(=CC(=O)O)/C(=O)O |
| Standard InCHI | InChI=1S/C6H6O6/c7-4(8)1-3(6(11)12)2-5(9)10/h1H,2H2,(H,7,8)(H,9,10)(H,11,12)/b3-1+ |
| Standard InCHIKey | GTZCVFVGUGFEME-HNQUOIGGSA-N |
| External Identifiers | ChEMBL [CHEMBL153658]; PubChem [444212]; |
| Reference of Component-Ingredient Pair | 10628656 |
Occurrence of the ingredient across TCM components
| Component ID | Latin Name | Pinyin Name | Chinese Name |
|---|---|---|---|
| TCMH1059 | Glycine max | Jiang | 姜 |
| TCMH1062 | Glycine max | Jiang Gao | 姜膏 |
| TCMH1067 | Glycine max | Jiang Tan | 姜炭 |
| TCMH1734 | Homo sapiens | Ren Zhong Bai | 人中白 |
| TCMH2710 | Homo sapiens | Zi He Che | 紫河车 |
| TCMH397 | Glycine max | Dan Dou Gu | 淡豆鼓 |
| TCMH416 | Glycine max | Dan Xiang Chi | 淡香豉 |
| TCMH515 | Glycine max | Dou You | 豆油 |
| TCMH665 | Saccharum sinensis | Gan Zhe | 甘蔗 |
| TCMH748 | Euonymus alatus | Gui Jian Yu | 鬼箭羽 |
Showing 1 to 10 of 11 entries
Ingredient ID: TCMC549
Formula: C21H20O10
Ingredient ID: TCMC549
| Common Name | 5-Hydroxy-3-(4-Hydroxyphenyl)-7-[3,4,5-Trihydroxy-6-(Hydroxymethyl)Oxan-2-Yl]Oxychromen-4-One |
| IUPAC Name | 5-hydroxy-3-(4-hydroxyphenyl)-7-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxychromen-4-one |
| Canonical SMILES | OCC1OC(Oc2cc(O)c3c(c2)occ(c3=O)c2ccc(cc2)O)C(C(C1O)O)O |
| Standard InCHI | InChI=1S/C21H20O10/c22-7-15-18(26)19(27)20(28)21(31-15)30-11-5-13(24)16-14(6-11)29-8-12(17(16)25)9-1-3-10(23)4-2-9/h1-6,8,15,18-24,26-28H,7H2 |
| Standard InCHIKey | ZCOLJUOHXJRHDI-UHFFFAOYSA-N |
| External Identifiers | ChEMBL [CHEMBL1364260]; PubChem [5284639]; |
| Reference of Component-Ingredient Pair | N/A |
Occurrence of the ingredient across TCM components
| Component ID | Latin Name | Pinyin Name | Chinese Name |
|---|---|---|---|
| TCMH1059 | Glycine max | Jiang | 姜 |
| TCMH1062 | Glycine max | Jiang Gao | 姜膏 |
| TCMH1067 | Glycine max | Jiang Tan | 姜炭 |
| TCMH1803 | Amomum villosum | Sha Ren | 砂仁 |
| TCMH1804 | Amomum villosum | Sha Ren Ye | 砂仁叶 |
| TCMH397 | Glycine max | Dan Dou Gu | 淡豆鼓 |
| TCMH416 | Glycine max | Dan Xiang Chi | 淡香豉 |
| TCMH515 | Glycine max | Dou You | 豆油 |
| TCMH644 | Pueraria lobata | Gan Ge | 干葛 |
| TCMH677 | Pueraria lobata | Ge Gen | 葛根 |
Showing 1 to 10 of 17 entries
Ingredient ID: TCMC413
Formula: C22H22O10
Ingredient ID: TCMC413
| Common Name | 3-(4-Hydroxyphenyl)-6-Methoxy-7-[3,4,5-Trihydroxy-6-(Hydroxymethyl)Oxan-2-Yl]Oxychromen-4-One |
| IUPAC Name | 3-(4-hydroxyphenyl)-6-methoxy-7-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxychromen-4-one |
| Canonical SMILES | OCC1OC(Oc2cc3occ(c(=O)c3cc2OC)c2ccc(cc2)O)C(C(C1O)O)O |
| Standard InCHI | InChI=1S/C22H22O10/c1-29-15-6-12-14(30-9-13(18(12)25)10-2-4-11(24)5-3-10)7-16(15)31-22-21(28)20(27)19(26)17(8-23)32-22/h2-7,9,17,19-24,26-28H,8H2,1H3 |
| Standard InCHIKey | OZBAVEKZGSOMOJ-UHFFFAOYSA-N |
| External Identifiers | ChEMBL [CHEMBL1574061]; PubChem [12004532]; |
| Reference of Component-Ingredient Pair | N/A |
Occurrence of the ingredient across TCM components
| Component ID | Latin Name | Pinyin Name | Chinese Name |
|---|---|---|---|
| TCMH1059 | Glycine max | Jiang | 姜 |
| TCMH1062 | Glycine max | Jiang Gao | 姜膏 |
| TCMH1067 | Glycine max | Jiang Tan | 姜炭 |
| TCMH2312 | Semen sojae | Xin Chi | 新豉 |
| TCMH396 | Semen sojae praeparata | Dan Dou Chi | 淡豆豉 |
| TCMH397 | Glycine max | Dan Dou Gu | 淡豆鼓 |
| TCMH416 | Glycine max | Dan Xiang Chi | 淡香豉 |
| TCMH515 | Glycine max | Dou You | 豆油 |
| TCMH833 | Glycine max | Hei Da Dou | 黑大豆 |
Showing 1 to 9 of 9 entries
Ingredient ID: TCMC267
Formula: C18H24O
Ingredient ID: TCMC267
| Common Name | 17-Deoxoestrone |
| IUPAC Name | (8S,9S,13S,14S)-13-methyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-3-ol |
| Canonical SMILES | Oc1ccc2c(c1)CC[C@@H]1[C@@H]2CC[C@]2([C@H]1CCC2)C |
| Standard InCHI | InChI=1S/C18H24O/c1-18-9-2-3-17(18)16-6-4-12-11-13(19)5-7-14(12)15(16)8-10-18/h5,7,11,15-17,19H,2-4,6,8-10H2,1H3/t15-,16-,17+,18+/m1/s1 |
| Standard InCHIKey | HJKVPZJVBHWFCQ-BDXSIMOUSA-N |
| External Identifiers | ChEMBL [CHEMBL261406]; PubChem [5888]; |
| Reference of Component-Ingredient Pair | N/A |
Occurrence of the ingredient across TCM components
| Component ID | Latin Name | Pinyin Name | Chinese Name |
|---|---|---|---|
| TCMH1059 | Glycine max | Jiang | 姜 |
| TCMH1062 | Glycine max | Jiang Gao | 姜膏 |
| TCMH1067 | Glycine max | Jiang Tan | 姜炭 |
| TCMH397 | Glycine max | Dan Dou Gu | 淡豆鼓 |
| TCMH416 | Glycine max | Dan Xiang Chi | 淡香豉 |
| TCMH515 | Glycine max | Dou You | 豆油 |
| TCMH833 | Glycine max | Hei Da Dou | 黑大豆 |
Showing 1 to 7 of 7 entries
Ingredient ID: TCMC2542
Formula: C30H48O
Ingredient ID: TCMC2542
| Common Name | Cycloartenone |
| IUPAC Name | n.a. |
| Canonical SMILES | CC(=CCC[C@H]([C@H]1CC[C@@]2([C@]1(C)CC[C@@]13[C@H]2CC[C@@H]2[C@]3(C1)CCC(=O)C2(C)C)C)C)C |
| Standard InCHI | InChI=1S/C30H48O/c1-20(2)9-8-10-21(3)22-13-15-28(7)24-12-11-23-26(4,5)25(31)14-16-29(23)19-30(24,29)18-17-27(22,28)6/h9,21-24H,8,10-19H2,1-7H3/t21-,22-,23+,24+,27-,28+,29-,30+/m1/s1 |
| Standard InCHIKey | NAJCQAAOHKVCES-ZZOQNIIDSA-N |
| External Identifiers | ChEMBL [CHEMBL226084]; PubChem [12305360]; |
| Reference of Component-Ingredient Pair | N/A |
Occurrence of the ingredient across TCM components
| Component ID | Latin Name | Pinyin Name | Chinese Name |
|---|---|---|---|
| TCMH1059 | Glycine max | Jiang | 姜 |
| TCMH1062 | Glycine max | Jiang Gao | 姜膏 |
| TCMH1067 | Glycine max | Jiang Tan | 姜炭 |
| TCMH1178 | Citrus reticulata | Ju He | 橘核 |
| TCMH1184 | Citrus reticulata | Ju Pi | 橘皮 |
| TCMH1448 | Mangifera indica | Mang Guo Ye | 芒果叶 |
| TCMH1489 | Papaver somniferum | Mi Ying Su Ke | 蜜罂粟壳 |
| TCMH1920 | Acorus tatarinowii | Shi Chang Pu | 石菖蒲 |
| TCMH1922 | Acorus tatarinowii | Shi Chang Pu Jin Gao | 石菖蒲浸膏 |
| TCMH1923 | Acorus tatarinowii | Shi Chang Pu Qing Gao | 石菖蒲清膏 |
Showing 1 to 10 of 18 entries
Ingredient ID: TCMC2525
Formula: C13H9NO4
Ingredient ID: TCMC2525
| Common Name | Kokusagine |
| IUPAC Name | n.a. |
| Canonical SMILES | COc1c2ccc3c(c2nc2c1cco2)OCO3 |
| Standard InCHI | InChI=1S/C13H9NO4/c1-15-11-7-2-3-9-12(18-6-17-9)10(7)14-13-8(11)4-5-16-13/h2-5H,6H2,1H3 |
| Standard InCHIKey | SDPOFOYJCOPMMV-UHFFFAOYSA-N |
| External Identifiers | ChEMBL [CHEMBL491782]; PubChem [5318829]; |
| Reference of Component-Ingredient Pair | N/A |
Occurrence of the ingredient across TCM components
| Component ID | Latin Name | Pinyin Name | Chinese Name |
|---|---|---|---|
| TCMH1059 | Glycine max | Jiang | 姜 |
| TCMH1062 | Glycine max | Jiang Gao | 姜膏 |
| TCMH1067 | Glycine max | Jiang Tan | 姜炭 |
| TCMH397 | Glycine max | Dan Dou Gu | 淡豆鼓 |
| TCMH416 | Glycine max | Dan Xiang Chi | 淡香豉 |
| TCMH515 | Glycine max | Dou You | 豆油 |
| TCMH833 | Glycine max | Hei Da Dou | 黑大豆 |
Showing 1 to 7 of 7 entries
Ingredient ID: TCMC2404
Formula: C30H50
Ingredient ID: TCMC2404
| Common Name | Squalene |
| IUPAC Name | (6E,10E,14E,18E)-2,6,10,15,19,23-hexamethyltetracosa-2,6,10,14,18,22-hexaene |
| Canonical SMILES | C/C(=CCC/C=C(/CC/C=C(/CCC=C(C)C)C)C)/CC/C=C(/CCC=C(C)C)C |
| Standard InCHI | InChI=1S/C30H50/c1-25(2)15-11-19-29(7)23-13-21-27(5)17-9-10-18-28(6)22-14-24-30(8)20-12-16-26(3)4/h15-18,23-24H,9-14,19-22H2,1-8H3/b27-17+,28-18+,29-23+,30-24+ |
| Standard InCHIKey | YYGNTYWPHWGJRM-AAJYLUCBSA-N |
| External Identifiers | ChEMBL [CHEMBL458402]; PubChem [638072]; |
| Reference of Component-Ingredient Pair | 16557464 |
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 |
| TCMH1059 | Glycine max | Jiang | 姜 |
| TCMH1062 | Glycine max | Jiang Gao | 姜膏 |
| TCMH1067 | Glycine max | Jiang Tan | 姜炭 |
| TCMH1146 | Oryza sativa | Jing Mi | 粳米 |
| TCMH1211 | Melia azedarach | Ku Lian Pi | 苦楝皮 |
| TCMH1212 | Melia azedarach | Ku Lian Zi | 苦楝子 |
| TCMH1452 | Gerbera piloselloides | Mao Da Ding Cao | 毛大丁草 |
| TCMH1648 | Sagina japonica | Qi Gu Cao | 漆姑草 |
Showing 1 to 10 of 49 entries
Ingredient ID: TCMC2338
Formula: C30H50O
Ingredient ID: TCMC2338
| Common Name | Cycloartenol |
| IUPAC Name | n.a. |
| Canonical SMILES | CC(=CCC[C@H]([C@H]1CC[C@@]2([C@]1(C)CC[C@@]13[C@H]2CC[C@@H]2[C@]3(C1)CC[C@@H](C2(C)C)O)C)C)C |
| Standard InCHI | InChI=1S/C30H50O/c1-20(2)9-8-10-21(3)22-13-15-28(7)24-12-11-23-26(4,5)25(31)14-16-29(23)19-30(24,29)18-17-27(22,28)6/h9,21-25,31H,8,10-19H2,1-7H3/t21-,22-,23+,24+,25+,27-,28+,29-,30+/m1/s1 |
| Standard InCHIKey | ONQRKEUAIJMULO-YBXTVTTCSA-N |
| External Identifiers | ChEMBL [CHEMBL225815]; PubChem [92110]; |
| Reference of Component-Ingredient Pair | 23913975 |
Occurrence of the ingredient across TCM components
| Component ID | Latin Name | Pinyin Name | Chinese Name |
|---|---|---|---|
| TCMH1059 | Glycine max | Jiang | 姜 |
| TCMH1062 | Glycine max | Jiang Gao | 姜膏 |
| TCMH1067 | Glycine max | Jiang Tan | 姜炭 |
| TCMH130 | Pinellia ternata | Ban Xia | 半夏 |
| TCMH131 | Pinellia ternata | Ban Xia Qu | 半夏曲 |
| TCMH1448 | Mangifera indica | Mang Guo Ye | 芒果叶 |
| TCMH1489 | Papaver somniferum | Mi Ying Su Ke | 蜜罂粟壳 |
| TCMH1677 | Pinellia ternata | Qing Ban Xia | 清半夏 |
| TCMH1894 | Pinellia ternata | Sheng Ban Xia | 生半夏 |
| TCMH2134 | Smilax glabra | Tu Fu Ling | 土茯苓 |
Showing 1 to 10 of 19 entries
Ingredient ID: TCMC2197
Formula: C11H12N2O2
Ingredient ID: TCMC2197
| Common Name | Tryptophan |
| IUPAC Name | (2S)-2-amino-3-(1H-indol-3-yl)propanoic acid |
| Canonical SMILES | OC(=O)[C@H](Cc1c[nH]c2c1cccc2)N |
| Standard InCHI | InChI=1S/C11H12N2O2/c12-9(11(14)15)5-7-6-13-10-4-2-1-3-8(7)10/h1-4,6,9,13H,5,12H2,(H,14,15)/t9-/m0/s1 |
| Standard InCHIKey | QIVBCDIJIAJPQS-VIFPVBQESA-N |
| External Identifiers | ChEMBL [CHEMBL54976]; PubChem [6305]; |
| Reference of Component-Ingredient Pair | N/A |
Occurrence of the ingredient across TCM components
| Component ID | Latin Name | Pinyin Name | Chinese Name |
|---|---|---|---|
| TCMH1059 | Glycine max | Jiang | 姜 |
| TCMH1062 | Glycine max | Jiang Gao | 姜膏 |
| TCMH1067 | Glycine max | Jiang Tan | 姜炭 |
| TCMH108 | Perilla frutescens | Bai Su Zi | 白苏子 |
| TCMH1090 | Brassica juncea | Jie Zi | 芥子 |
| TCMH126 | Isatis indigotica | Ban Lan | 板蓝 |
| TCMH127 | Isatis indigotica | Ban Lan Gen | 板蓝根 |
| TCMH1275 | Nelumbo nucifera | Lian Zi | 莲子 |
| TCMH1276 | Nelumbo nucifera | Lian Zi Xin | 莲子心 |
| TCMH130 | Pinellia ternata | Ban Xia | 半夏 |
Showing 1 to 10 of 39 entries
Ingredient ID: TCMC2119
Formula: C9H10O5
Ingredient ID: TCMC2119
| Common Name | Syringic Acid |
| IUPAC Name | 4-hydroxy-3,5-dimethoxybenzoic acid |
| Canonical SMILES | COc1cc(cc(c1O)OC)C(=O)O |
| Standard InCHI | InChI=1S/C9H10O5/c1-13-6-3-5(9(11)12)4-7(14-2)8(6)10/h3-4,10H,1-2H3,(H,11,12) |
| Standard InCHIKey | JMSVCTWVEWCHDZ-UHFFFAOYSA-N |
| External Identifiers | ChEMBL [CHEMBL1414]; PubChem [10742]; |
| Reference of Component-Ingredient Pair | 23800587 |
Occurrence of the ingredient across TCM components
| Component ID | Latin Name | Pinyin Name | Chinese Name |
|---|---|---|---|
| TCMH1000 | Foeniculum vulgare | Hui Xiang | 茴香 |
| TCMH1032 | Impatiens balsamina | Ji Xing Zi | 急性子 |
| TCMH1059 | Glycine max | Jiang | 姜 |
| TCMH1062 | Glycine max | Jiang Gao | 姜膏 |
| TCMH1067 | Glycine max | Jiang Tan | 姜炭 |
| TCMH1117 | Rhizoma fagopyri cymosi | Jin Qiao Mai | 金荞麦 |
| TCMH1178 | Citrus reticulata | Ju He | 橘核 |
| TCMH1184 | Citrus reticulata | Ju Pi | 橘皮 |
| TCMH1197 | Selaginella tamariscina | Juan Bai | 卷柏 |
| TCMH126 | Isatis indigotica | Ban Lan | 板蓝 |
Showing 1 to 10 of 78 entries
Ingredient ID: TCMC2098
Formula: C7H19N3
Ingredient ID: TCMC2098
| Common Name | Spermidine |
| IUPAC Name | N'-(3-aminopropyl)butane-1,4-diamine |
| Canonical SMILES | NCCCNCCCCN |
| Standard InCHI | InChI=1S/C7H19N3/c8-4-1-2-6-10-7-3-5-9/h10H,1-9H2 |
| Standard InCHIKey | ATHGHQPFGPMSJY-UHFFFAOYSA-N |
| External Identifiers | ChEMBL [CHEMBL19612]; PubChem [1102]; |
| Reference of Component-Ingredient Pair | 22286908 |
Occurrence of the ingredient across TCM components
| Component ID | Latin Name | Pinyin Name | Chinese Name |
|---|---|---|---|
| TCMH1059 | Glycine max | Jiang | 姜 |
| TCMH1062 | Glycine max | Jiang Gao | 姜膏 |
| TCMH1067 | Glycine max | Jiang Tan | 姜炭 |
| TCMH1394 | Capparis masaikai | Ma Bing Lang | 马槟榔 |
| TCMH1721 | Panax ginseng | Ren Shen | 人参 |
| TCMH1728 | Panax ginseng | Ren Shen Ye | 人参叶 |
| TCMH1734 | Homo sapiens | Ren Zhong Bai | 人中白 |
| TCMH1839 | Panax ginseng | Shan Shen | 山参 |
| TCMH2710 | Homo sapiens | Zi He Che | 紫河车 |
| TCMH397 | Glycine max | Dan Dou Gu | 淡豆鼓 |
Showing 1 to 10 of 13 entries
Ingredient ID: TCMC2036
Formula: C16H14O5
Ingredient ID: TCMC2036
| Common Name | Sakuranetin |
| IUPAC Name | (2S)-5-hydroxy-2-(4-hydroxyphenyl)-7-methoxy-2,3-dihydrochromen-4-one |
| Canonical SMILES | COc1cc2O[C@@H](CC(=O)c2c(c1)O)c1ccc(cc1)O |
| Standard InCHI | InChI=1S/C16H14O5/c1-20-11-6-12(18)16-13(19)8-14(21-15(16)7-11)9-2-4-10(17)5-3-9/h2-7,14,17-18H,8H2,1H3/t14-/m0/s1 |
| Standard InCHIKey | DJOJDHGQRNZXQQ-AWEZNQCLSA-N |
| External Identifiers | ChEMBL [CHEMBL448297]; PubChem [73571]; |
| Reference of Component-Ingredient Pair | N/A |
Occurrence of the ingredient across TCM components
| Component ID | Latin Name | Pinyin Name | Chinese Name |
|---|---|---|---|
| TCMH1059 | Glycine max | Jiang | 姜 |
| TCMH1062 | Glycine max | Jiang Gao | 姜膏 |
| TCMH1067 | Glycine max | Jiang Tan | 姜炭 |
| TCMH109 | Pulsatilla chinensis | Bai Tou Weng | 白头翁 |
| TCMH2145 | Achyranthes aspera | Tu Niu Xi | 土牛膝 |
| TCMH397 | Glycine max | Dan Dou Gu | 淡豆鼓 |
| TCMH416 | Glycine max | Dan Xiang Chi | 淡香豉 |
| TCMH431 | Achyranthes aspera | Dao Kou Cao | 倒扣草 |
| TCMH515 | Glycine max | Dou You | 豆油 |
| TCMH538 | Oxytropis falcata | E Da Xia | 莪大夏 |
Showing 1 to 10 of 12 entries
Ingredient ID: TCMC1968
Formula: C4H12N2
Ingredient ID: TCMC1968
| Common Name | Putrescine |
| IUPAC Name | butane-1,4-diamine |
| Canonical SMILES | NCCCCN |
| Standard InCHI | InChI=1S/C4H12N2/c5-3-1-2-4-6/h1-6H2 |
| Standard InCHIKey | KIDHWZJUCRJVML-UHFFFAOYSA-N |
| External Identifiers | ChEMBL [CHEMBL46257]; PubChem [1045]; |
| Reference of Component-Ingredient Pair | 22286908 |
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 |
| TCMH1059 | Glycine max | Jiang | 姜 |
| TCMH1062 | Glycine max | Jiang Gao | 姜膏 |
| TCMH1067 | Glycine max | Jiang Tan | 姜炭 |
| TCMH1394 | Capparis masaikai | Ma Bing Lang | 马槟榔 |
| TCMH1430 | Hordeum vulgare | Mai Ya | 麦芽 |
| TCMH1721 | Panax ginseng | Ren Shen | 人参 |
| TCMH1728 | Panax ginseng | Ren Shen Ye | 人参叶 |
| TCMH1734 | Homo sapiens | Ren Zhong Bai | 人中白 |
Showing 1 to 10 of 21 entries
Ingredient ID: TCMC1856
Formula: C5H14N2
Ingredient ID: TCMC1856
| Common Name | Pentane-1,5-Diamine |
| IUPAC Name | pentane-1,5-diamine |
| Canonical SMILES | NCCCCCN |
| Standard InCHI | InChI=1S/C5H14N2/c6-4-2-1-3-5-7/h1-7H2 |
| Standard InCHIKey | VHRGRCVQAFMJIZ-UHFFFAOYSA-N |
| External Identifiers | ChEMBL [CHEMBL119296]; PubChem [273]; |
| Reference of Component-Ingredient Pair | 23122502 |
Occurrence of the ingredient across TCM components
| Component ID | Latin Name | Pinyin Name | Chinese Name |
|---|---|---|---|
| TCMH1059 | Glycine max | Jiang | 姜 |
| TCMH1062 | Glycine max | Jiang Gao | 姜膏 |
| TCMH1067 | Glycine max | Jiang Tan | 姜炭 |
| TCMH1394 | Capparis masaikai | Ma Bing Lang | 马槟榔 |
| TCMH1734 | Homo sapiens | Ren Zhong Bai | 人中白 |
| TCMH2710 | Homo sapiens | Zi He Che | 紫河车 |
| TCMH397 | Glycine max | Dan Dou Gu | 淡豆鼓 |
| TCMH416 | Glycine max | Dan Xiang Chi | 淡香豉 |
| TCMH515 | Glycine max | Dou You | 豆油 |
| TCMH695 | Uncaria rhynchophylla | Gou Teng | 钩藤 |
Showing 1 to 10 of 11 entries
Ingredient ID: TCMC1555
Formula: C10H12O4
Ingredient ID: TCMC1555
| Common Name | Methyl 2-Hydroxy-4-Methoxy-6-Methylbenzoate |
| IUPAC Name | methyl 2-hydroxy-4-methoxy-6-methylbenzoate |
| Canonical SMILES | COc1cc(C)c(c(c1)O)C(=O)OC |
| Standard InCHI | InChI=1S/C10H12O4/c1-6-4-7(13-2)5-8(11)9(6)10(12)14-3/h4-5,11H,1-3H3 |
| Standard InCHIKey | PFVPJOAAHSOENR-UHFFFAOYSA-N |
| External Identifiers | ChEMBL [CHEMBL1595401]; PubChem [596344]; |
| Reference of Component-Ingredient Pair | 23800950 |
Occurrence of the ingredient across TCM components
| Component ID | Latin Name | Pinyin Name | Chinese Name |
|---|---|---|---|
| TCMH1059 | Glycine max | Jiang | 姜 |
| TCMH1062 | Glycine max | Jiang Gao | 姜膏 |
| TCMH1067 | Glycine max | Jiang Tan | 姜炭 |
| TCMH1554 | Rhododendron molle | Nao Yang Hua | 闹羊花 |
| TCMH2293 | Phaseolus vulgaris | Xiao Hei Dou | 小黑豆 |
| TCMH397 | Glycine max | Dan Dou Gu | 淡豆鼓 |
| TCMH416 | Glycine max | Dan Xiang Chi | 淡香豉 |
| TCMH515 | Glycine max | Dou You | 豆油 |
| TCMH833 | Glycine max | Hei Da Dou | 黑大豆 |
Showing 1 to 9 of 9 entries
Ingredient ID: TCMC1439
Formula: C6H6O4
Ingredient ID: TCMC1439
| Common Name | Kojic Acid |
| IUPAC Name | 5-hydroxy-2-(hydroxymethyl)pyran-4-one |
| Canonical SMILES | OCc1occ(c(=O)c1)O |
| Standard InCHI | InChI=1S/C6H6O4/c7-2-4-1-5(8)6(9)3-10-4/h1,3,7,9H,2H2 |
| Standard InCHIKey | BEJNERDRQOWKJM-UHFFFAOYSA-N |
| External Identifiers | ChEMBL [CHEMBL287556]; PubChem [3840]; |
| Reference of Component-Ingredient Pair | N/A |
Occurrence of the ingredient across TCM components
| Component ID | Latin Name | Pinyin Name | Chinese Name |
|---|---|---|---|
| TCMH1059 | Glycine max | Jiang | 姜 |
| TCMH1062 | Glycine max | Jiang Gao | 姜膏 |
| TCMH1067 | Glycine max | Jiang Tan | 姜炭 |
| TCMH1518 | Chaenomeles sinensis | Mu Gua | 木瓜 |
| TCMH397 | Glycine max | Dan Dou Gu | 淡豆鼓 |
| TCMH416 | Glycine max | Dan Xiang Chi | 淡香豉 |
| TCMH515 | Glycine max | Dou You | 豆油 |
| TCMH833 | Glycine max | Hei Da Dou | 黑大豆 |
Showing 1 to 8 of 8 entries
Ingredient ID: TCMC1399
Formula: C15H12O4
Ingredient ID: TCMC1399
| Common Name | Isoliquiritigenin |
| IUPAC Name | (E)-1-(2,4-dihydroxyphenyl)-3-(4-hydroxyphenyl)prop-2-en-1-one |
| Canonical SMILES | Oc1ccc(cc1)/C=C/C(=O)c1ccc(cc1O)O |
| Standard InCHI | InChI=1S/C15H12O4/c16-11-4-1-10(2-5-11)3-8-14(18)13-7-6-12(17)9-15(13)19/h1-9,16-17,19H/b8-3+ |
| Standard InCHIKey | DXDRHHKMWQZJHT-FPYGCLRLSA-N |
| External Identifiers | ChEMBL [CHEMBL129795]; PubChem [638278]; |
| Reference of Component-Ingredient Pair | 24397541 |
Occurrence of the ingredient across TCM components
| Component ID | Latin Name | Pinyin Name | Chinese Name |
|---|---|---|---|
| TCMH1059 | Glycine max | Jiang | 姜 |
| TCMH1062 | Glycine max | Jiang Gao | 姜膏 |
| TCMH1067 | Glycine max | Jiang Tan | 姜炭 |
| TCMH1160 | Polygonatum sibiricum | Jiu Huang Jing | 酒黄精 |
| TCMH1383 | Onobrychis viciifolia | Lv Dou | 绿豆 |
| TCMH143 | Albizia julibrissin | Bei He Huan | 北合欢 |
| TCMH1475 | Glycyrrhiza uralensis | Mi Gan Cao | 蜜甘草 |
| TCMH1899 | Glycyrrhiza uralensis | Sheng Gan Cao | 生甘草 |
| TCMH2135 | Glycyrrhiza uralensis | Tu Gan Cao | 土甘草 |
| TCMH2614 | Polygonatum sibiricum | Zhi Huang Jing | 制黄精 |
Showing 1 to 10 of 32 entries
Ingredient ID: TCMC1329
Formula: C16H12O6
Ingredient ID: TCMC1329
| Common Name | Hispidulin |
| IUPAC Name | 5,7-dihydroxy-2-(4-hydroxyphenyl)-6-methoxychromen-4-one |
| Canonical SMILES | COc1c(O)cc2c(c1O)c(=O)cc(o2)c1ccc(cc1)O |
| Standard InCHI | InChI=1S/C16H12O6/c1-21-16-11(19)7-13-14(15(16)20)10(18)6-12(22-13)8-2-4-9(17)5-3-8/h2-7,17,19-20H,1H3 |
| Standard InCHIKey | IHFBPDAQLQOCBX-UHFFFAOYSA-N |
| External Identifiers | ChEMBL [CHEMBL293776]; PubChem [5281628]; |
| Reference of Component-Ingredient Pair | 22978216 |
Occurrence of the ingredient across TCM components
| Component ID | Latin Name | Pinyin Name | Chinese Name |
|---|---|---|---|
| TCMH1059 | Glycine max | Jiang | 姜 |
| TCMH1062 | Glycine max | Jiang Gao | 姜膏 |
| TCMH1067 | Glycine max | Jiang Tan | 姜炭 |
| TCMH12 | Artemisia argyi | Ai Ye | 艾叶 |
| TCMH13 | Artemisia argyi | Ai Ye You | 艾叶油 |
| TCMH132 | Scutellaria barbata | Ban Zhi Lian | 半枝莲 |
| TCMH1475 | Glycyrrhiza uralensis | Mi Gan Cao | 蜜甘草 |
| TCMH1489 | Papaver somniferum | Mi Ying Su Ke | 蜜罂粟壳 |
| TCMH1899 | Glycyrrhiza uralensis | Sheng Gan Cao | 生甘草 |
| TCMH197 | Bombyx mori | Can E | 蚕蛾 |
Showing 1 to 10 of 49 entries
Ingredient ID: TCMC1236
Formula: C15H10O5
Ingredient ID: TCMC1236
| Common Name | Genistein |
| IUPAC Name | 5,7-dihydroxy-3-(4-hydroxyphenyl)chromen-4-one |
| Canonical SMILES | Oc1ccc(cc1)c1coc2c(c1=O)c(O)cc(c2)O |
| Standard InCHI | InChI=1S/C15H10O5/c16-9-3-1-8(2-4-9)11-7-20-13-6-10(17)5-12(18)14(13)15(11)19/h1-7,16-18H |
| Standard InCHIKey | TZBJGXHYKVUXJN-UHFFFAOYSA-N |
| External Identifiers | ChEMBL [CHEMBL44]; PubChem [5280961]; |
| Reference of Component-Ingredient Pair | 29624291 |
Occurrence of the ingredient across TCM components
| Component ID | Latin Name | Pinyin Name | Chinese Name |
|---|---|---|---|
| TCMH1059 | Glycine max | Jiang | 姜 |
| TCMH1062 | Glycine max | Jiang Gao | 姜膏 |
| TCMH1067 | Glycine max | Jiang Tan | 姜炭 |
| TCMH1165 | Murraya paniculata | Jiu Li Xiang | 九里香 |
| TCMH1215 | Sophora flavescens | Ku Shen | 苦参 |
| TCMH1254 | Amaranthus spinosus | Le Xian Cai | 勒苋菜 |
| TCMH1475 | Glycyrrhiza uralensis | Mi Gan Cao | 蜜甘草 |
| TCMH1734 | Homo sapiens | Ren Zhong Bai | 人中白 |
| TCMH1899 | Glycyrrhiza uralensis | Sheng Gan Cao | 生甘草 |
| TCMH2080 | Sophora flavescens | Teng Ku Shen | 藤苦参 |
Showing 1 to 10 of 45 entries
Ingredient ID: TCMC1163
Formula: C18H16O7
Ingredient ID: TCMC1163
| Common Name | Eupatorin |
| IUPAC Name | 5-hydroxy-2-(3-hydroxy-4-methoxyphenyl)-6,7-dimethoxychromen-4-one |
| Canonical SMILES | COc1cc2oc(cc(=O)c2c(c1OC)O)c1ccc(c(c1)O)OC |
| Standard InCHI | InChI=1S/C18H16O7/c1-22-12-5-4-9(6-10(12)19)13-7-11(20)16-14(25-13)8-15(23-2)18(24-3)17(16)21/h4-8,19,21H,1-3H3 |
| Standard InCHIKey | KLAOKWJLUQKWIF-UHFFFAOYSA-N |
| External Identifiers | ChEMBL [CHEMBL487402]; PubChem [97214]; |
| Reference of Component-Ingredient Pair | 22537643 |
Occurrence of the ingredient across TCM components
| Component ID | Latin Name | Pinyin Name | Chinese Name |
|---|---|---|---|
| TCMH1059 | Glycine max | Jiang | 姜 |
| TCMH1062 | Glycine max | Jiang Gao | 姜膏 |
| TCMH1067 | Glycine max | Jiang Tan | 姜炭 |
| TCMH1146 | Oryza sativa | Jing Mi | 粳米 |
| TCMH1856 | Gardenia jasminoides | Shan Zhi | 山栀 |
| TCMH2277 | Abrus precatorius | Xiang Si Teng | 相思藤 |
| TCMH2278 | Abrus precatorius | Xiang Si Zi | 相思子 |
| TCMH2372 | Bergenia purpurascens | Yan Bai Cai | 岩白菜 |
| TCMH2641 | Gardenia jasminoides | Zhi Zi | 栀子 |
| TCMH2642 | Gardenia jasminoides | Zhi Zi Jin Gao | 栀子浸膏 |
Showing 1 to 10 of 18 entries
Ingredient ID: TCMC1088
Formula: C11H12N2O2
Ingredient ID: TCMC1088
| Common Name | D-Tryptophan |
| IUPAC Name | (2R)-2-azaniumyl-3-(1H-indol-3-yl)propanoate |
| Canonical SMILES | OC(=O)[C@@H](Cc1c[nH]c2c1cccc2)N |
| Standard InCHI | InChI=1S/C11H12N2O2/c12-9(11(14)15)5-7-6-13-10-4-2-1-3-8(7)10/h1-4,6,9,13H,5,12H2,(H,14,15)/t9-/m1/s1 |
| Standard InCHIKey | QIVBCDIJIAJPQS-SECBINFHSA-N |
| External Identifiers | ChEMBL [CHEMBL292303]; PubChem [6923517]; |
| Reference of Component-Ingredient Pair | N/A |
Occurrence of the ingredient across TCM components
| Component ID | Latin Name | Pinyin Name | Chinese Name |
|---|---|---|---|
| TCMH1059 | Glycine max | Jiang | 姜 |
| TCMH1062 | Glycine max | Jiang Gao | 姜膏 |
| TCMH1067 | Glycine max | Jiang Tan | 姜炭 |
| TCMH108 | Perilla frutescens | Bai Su Zi | 白苏子 |
| TCMH1090 | Brassica juncea | Jie Zi | 芥子 |
| TCMH1275 | Nelumbo nucifera | Lian Zi | 莲子 |
| TCMH1276 | Nelumbo nucifera | Lian Zi Xin | 莲子心 |
| TCMH130 | Pinellia ternata | Ban Xia | 半夏 |
| TCMH131 | Pinellia ternata | Ban Xia Qu | 半夏曲 |
| TCMH1598 | Nelumbo nucifera | Ou | 藕 |
Showing 1 to 10 of 23 entries
Properties
| Ingredient ID | Formulae | Name | MW | AlogP | MlogP | XlogP | # HBA | # HBD | PSA | # Rotatable Bond | # Ring | # Heacy Atom | Lipinski RO5 Violation |
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| TCMC1088 | C11H12N2O2 | D-Tryptophan | 204.09 | -1.5048 | 2.23 | -0.96 | 4 | 3 | 79.11 | 5 | 2 | 15 | 0 |
| TCMC1163 | C18H16O7 | Eupatorin | 344.09 | -1.5796 | 2.67 | 1.198 | 1 | 2 | 94.45 | 9 | 3 | 25 | 0 |
| TCMC1236 | C15H10O5 | Genistein | 270.05 | -2.0476 | 2.56 | 1.512 | 1 | 3 | 86.99 | 4 | 3 | 20 | 0 |
| TCMC1329 | C16H12O6 | Hispidulin | 300.06 | -1.9363 | 2.56 | 1.123 | 1 | 3 | 96.22 | 6 | 3 | 22 | 0 |
| TCMC1399 | C15H12O4 | Isoliquiritigenin | 256.07 | -1.2836 | 2.67 | 2.764 | 1 | 3 | 77.76 | 6 | 2 | 19 | 0 |
| TCMC1439 | C6H6O4 | Kojic Acid | 142.03 | -1.5686 | 1.68 | -0.13 | 4 | 2 | 66.76 | 3 | 1 | 10 | 0 |
| TCMC1555 | C10H12O4 | Methyl 2-Hydroxy-4-Methoxy-6-Methylbenzoate | 196.07 | 0.1411 | 2.12 | 2.253 | 2 | 1 | 55.76 | 7 | 1 | 14 | 0 |
| TCMC1856 | C5H14N2 | Pentane-1,5-Diamine | 102.12 | -2.3406 | 1.79 | -0.268 | 2 | 2 | 52.04 | 6 | 0 | 7 | 0 |
| TCMC1968 | C4H12N2 | Putrescine | 88.1 | -2.0526 | 1.68 | -0.626 | 2 | 2 | 52.04 | 5 | 0 | 6 | 0 |
| TCMC2036 | C16H14O5 | Sakuranetin | 286.08 | -1.4059 | 2.67 | 1.416 | 1 | 2 | 75.99 | 5 | 3 | 21 | 0 |
Showing 1 to 10 of 28 entries
Download Data
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