Description of the Component
Component ID |
TCMH1254 |
Latin Name |
Amaranthus spinosus |
English Name |
NA |
Chinese Pinyin Name |
Le Xian Cai |
中文名 |
勒苋菜 |
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 |
MHPAD801-09 |
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 |
| TCMT101 | PTPN1 | Protein-tyrosine phosphatase 1B | Hydrolase | P18031 |
| TCMT11 | HIF1A | Hypoxia-inducible factor 1 alpha | Transcription factor | Q16665 |
| TCMT125 | GBA | Beta-glucocerebrosidase | Hydrolase | P04062 |
| TCMT131 | ACHE | Acetylcholinesterase | Hydrolase | P22303 |
| TCMT150 | RORC | Nuclear receptor ROR-gamma | Nuclear receptor | P51449 |
| TCMT156 | CYP19A1 | Cytochrome P450 19A1 | Oxidoreductase | P11511 |
| TCMT17 | POLB | DNA polymerase beta | Transferase | P06746 |
| TCMT187 | AR | Androgen Receptor | Nuclear receptor | P10275 |
| TCMT2 | MAPT | Microtubule-associated protein tau | Unclassified | P10636 |
Showing 1 to 10 of 42 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 |
| TCMT1246 | Escherichia coli |
| TCMT1251 | Candida albicans |
| TCMT1438 | Plasmodium falciparum |
| TCMT1458 | Filobasidiella neoformans |
Showing 1 to 7 of 7 entries
Ingredient Structrues
Ingredient ID: TCMC981
Formula: C11H14N2O
Ingredient ID: TCMC981
| Common Name | Cytisine |
| IUPAC Name | n.a. |
| Canonical SMILES | O=c1cccc2n1C[C@@H]1CNC[C@H]2C1 |
| Standard InCHI | InChI=1S/C11H14N2O/c14-11-3-1-2-10-9-4-8(5-12-6-9)7-13(10)11/h1-3,8-9,12H,4-7H2/t8-,9+/m0/s1 |
| Standard InCHIKey | ANJTVLIZGCUXLD-DTWKUNHWSA-N |
| External Identifiers | ChEMBL [CHEMBL497939]; PubChem [10235]; |
| Reference of Component-Ingredient Pair | 22978215 |
Occurrence of the ingredient across TCM components
Ingredient ID: TCMC676
Formula: C20H16O5
Ingredient ID: TCMC676
| Common Name | Alpinumisoflavone |
| IUPAC Name | 5-hydroxy-7-(4-hydroxyphenyl)-2,2-dimethylpyrano[3,2-g]chromen-6-one |
| Canonical SMILES | Oc1ccc(cc1)c1coc2c(c1=O)c(O)c1c(c2)OC(C=C1)(C)C |
| Standard InCHI | InChI=1S/C20H16O5/c1-20(2)8-7-13-15(25-20)9-16-17(18(13)22)19(23)14(10-24-16)11-3-5-12(21)6-4-11/h3-10,21-22H,1-2H3 |
| Standard InCHIKey | RQAMSFTXEFSBPK-UHFFFAOYSA-N |
| External Identifiers | ChEMBL [CHEMBL238628]; PubChem [5490139]; |
| Reference of Component-Ingredient Pair | N/A |
Occurrence of the ingredient across TCM components
| Component ID | Latin Name | Pinyin Name | Chinese Name |
|---|---|---|---|
| TCMH1215 | Sophora flavescens | Ku Shen | 苦参 |
| TCMH1254 | Amaranthus spinosus | Le Xian Cai | 勒苋菜 |
| TCMH1398 | Ephedra sinica | Ma Huang | 麻黄 |
| TCMH1399 | Ephedra sinica | Ma Huang Gao | 麻黄膏 |
| TCMH1400 | Ephedra sinica | Ma Huang Gen | 麻黄根 |
| TCMH1401 | Ephedra sinica | Ma Huang Jin Gao | 麻黄浸膏 |
| TCMH1486 | Ephedra sinica | Mi Ma Huang | 蜜麻黄 |
| TCMH2080 | Sophora flavescens | Teng Ku Shen | 藤苦参 |
| TCMH2143 | Sophora flavescens | Tu Ku Shen | 土苦参 |
| TCMH266 | Clerodendrum bungei | Chu Mu Dan | 臭牡丹 |
Showing 1 to 10 of 13 entries
Ingredient ID: TCMC585
Formula: C16H12O5
Ingredient ID: TCMC585
| Common Name | 7-Hydroxy-3-(4-Hydroxyphenyl)-5-Methoxychromen-4-One |
| IUPAC Name | 7-hydroxy-3-(4-hydroxyphenyl)-5-methoxychromen-4-one |
| Canonical SMILES | COc1cc(O)cc2c1c(=O)c(co2)c1ccc(cc1)O |
| Standard InCHI | InChI=1S/C16H12O5/c1-20-13-6-11(18)7-14-15(13)16(19)12(8-21-14)9-2-4-10(17)5-3-9/h2-8,17-18H,1H3 |
| Standard InCHIKey | YSINCDVRUMTOPK-UHFFFAOYSA-N |
| External Identifiers | ChEMBL [CHEMBL1479463]; PubChem [5748551]; |
| Reference of Component-Ingredient Pair | N/A |
Occurrence of the ingredient across TCM components
Ingredient ID: TCMC2612
Formula: C20H18O5
Ingredient ID: TCMC2612
| Common Name | Wighteone |
| IUPAC Name | 5,7-dihydroxy-3-(4-hydroxyphenyl)-6-(3-methylbut-2-enyl)chromen-4-one |
| Canonical SMILES | CC(=CCc1c(O)cc2c(c1O)c(=O)c(co2)c1ccc(cc1)O)C |
| Standard InCHI | InChI=1S/C20H18O5/c1-11(2)3-8-14-16(22)9-17-18(19(14)23)20(24)15(10-25-17)12-4-6-13(21)7-5-12/h3-7,9-10,21-23H,8H2,1-2H3 |
| Standard InCHIKey | KIMDVVKVNNSHGZ-UHFFFAOYSA-N |
| External Identifiers | ChEMBL [CHEMBL393222]; PubChem [5281814]; |
| Reference of Component-Ingredient Pair | N/A |
Occurrence of the ingredient across TCM components
| Component ID | Latin Name | Pinyin Name | Chinese Name |
|---|---|---|---|
| TCMH1033 | Centella asiatica | Ji Xue Cao | 积雪草 |
| 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 |
| TCMH1899 | Glycyrrhiza uralensis | Sheng Gan Cao | 生甘草 |
| TCMH2080 | Sophora flavescens | Teng Ku Shen | 藤苦参 |
| TCMH2135 | Glycyrrhiza uralensis | Tu Gan Cao | 土甘草 |
| TCMH2143 | Sophora flavescens | Tu Ku Shen | 土苦参 |
| TCMH325 | Amaranthus spinosus | Ci Wan | 刺苋 |
| TCMH628 | Glycyrrhiza uralensis | Gan Cao | 甘草 |
Showing 1 to 10 of 19 entries
Ingredient ID: TCMC2206
Formula: C20H18O6
Ingredient ID: TCMC2206
| Common Name | Uncinanone A |
| IUPAC Name | 3-(2,4-dihydroxyphenyl)-5,7-dihydroxy-6-(3-methylbut-2-enyl)chromen-4-one |
| Canonical SMILES | CC(=CCc1c(O)cc2c(c1O)c(=O)c(co2)c1ccc(cc1O)O)C |
| Standard InCHI | InChI=1S/C20H18O6/c1-10(2)3-5-13-16(23)8-17-18(19(13)24)20(25)14(9-26-17)12-6-4-11(21)7-15(12)22/h3-4,6-9,21-24H,5H2,1-2H3 |
| Standard InCHIKey | MMPVAPMCVABQPS-UHFFFAOYSA-N |
| External Identifiers | ChEMBL [CHEMBL549617]; PubChem [5281797]; |
| Reference of Component-Ingredient Pair | N/A |
Occurrence of the ingredient across TCM components
| Component ID | Latin Name | Pinyin Name | Chinese Name |
|---|---|---|---|
| TCMH1215 | Sophora flavescens | Ku Shen | 苦参 |
| TCMH1254 | Amaranthus spinosus | Le Xian Cai | 勒苋菜 |
| TCMH1398 | Ephedra sinica | Ma Huang | 麻黄 |
| TCMH1399 | Ephedra sinica | Ma Huang Gao | 麻黄膏 |
| TCMH1400 | Ephedra sinica | Ma Huang Gen | 麻黄根 |
| TCMH1401 | Ephedra sinica | Ma Huang Jin Gao | 麻黄浸膏 |
| TCMH1486 | Ephedra sinica | Mi Ma Huang | 蜜麻黄 |
| TCMH2080 | Sophora flavescens | Teng Ku Shen | 藤苦参 |
| TCMH2143 | Sophora flavescens | Tu Ku Shen | 土苦参 |
| TCMH266 | Clerodendrum bungei | Chu Mu Dan | 臭牡丹 |
Showing 1 to 10 of 12 entries
Ingredient ID: TCMC2162
Formula: CH4N2S
Ingredient ID: TCMC2162
| Common Name | Thiourea |
| IUPAC Name | thiourea |
| Canonical SMILES | NC(=N)S |
| Standard InCHI | InChI=1S/CH4N2S/c2-1(3)4/h(H4,2,3,4) |
| Standard InCHIKey | UMGDCJDMYOKAJW-UHFFFAOYSA-N |
| External Identifiers | ChEMBL [CHEMBL260876]; PubChem [2723790]; |
| Reference of Component-Ingredient Pair | N/A |
Occurrence of the ingredient across TCM components
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
Properties
| Ingredient ID | Formulae | Name | MW | AlogP | MlogP | XlogP | # HBA | # HBD | PSA | # Rotatable Bond | # Ring | # Heacy Atom | Lipinski RO5 Violation |
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| TCMC1236 | C15H10O5 | Genistein | 270.05 | -2.0476 | 2.56 | 1.512 | 1 | 3 | 86.99 | 4 | 3 | 20 | 0 |
| TCMC2162 | CH4N2S | Thiourea | 76.01 | 0.5528 | 1.24 | 0.067 | 2 | 2 | 88.67 | 2 | 0 | 4 | 0 |
| TCMC2206 | C20H18O6 | Uncinanone A | 354.11 | -0.6305 | 3 | 2.019 | 1 | 4 | 107.22 | 9 | 3 | 26 | 0 |
| TCMC2612 | C20H18O5 | Wighteone | 338.12 | -0.1702 | 3.11 | 2.982 | 1 | 3 | 86.99 | 8 | 3 | 25 | 0 |
| TCMC585 | C16H12O5 | 7-Hydroxy-3-(4-Hydroxyphenyl)-5-Methoxychromen-4-One | 284.07 | -1.6391 | 2.67 | 2.031 | 1 | 2 | 75.99 | 5 | 3 | 21 | 0 |
| TCMC676 | C20H16O5 | Alpinumisoflavone | 336.1 | -0.6795 | 3.11 | 2.912 | 1 | 2 | 75.99 | 5 | 4 | 25 | 0 |
| TCMC981 | C11H14N2O | Cytisine | 190.11 | -1.1881 | 2.34 | -0.251 | 3 | 1 | 32.34 | 0 | 3 | 14 | 0 |
Showing 1 to 7 of 7 entries
Download Data
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