Description of the Component
Component ID |
TCMH1265 |
Latin Name |
Chenopodium album |
English Name |
Lambsquarters juvenile |
Chinese Pinyin Name |
Li |
中文名 |
藜 |
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 |
ITSAP4781-14 |
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 |
| TCMT131 | ACHE | Acetylcholinesterase | Hydrolase | P22303 |
| TCMT132 | BCHE | Butyrylcholinesterase | Hydrolase | P06276 |
| TCMT158 | EPHX2 | Epoxide hydratase | Lyase | P34913 |
| TCMT159 | TYR | Tyrosinase | Oxidoreductase | P14679 |
| TCMT17 | POLB | DNA polymerase beta | Transferase | P06746 |
| TCMT18 | GAA | Lysosomal alpha-glucosidase | Hydrolase | P10253 |
| TCMT2 | MAPT | Microtubule-associated protein tau | Unclassified | P10636 |
| TCMT629 | ABCC1 | Multidrug resistance-associated protein 1 | Transporter | P33527 |
| TCMT747 | ABCG2 | ATP-binding cassette sub-family G member 2 | Transporter | Q9UNQ0 |
Showing 1 to 10 of 13 entries
Targeted Pathogenic Microbes by the Ingredient of Component
| Target ID | Target Name |
|---|---|
| TCMT1099 | Neuraminidase |
| TCMT1212 | Verticillium dahliae |
| TCMT1218 | Staphylococcus aureus |
| TCMT1458 | Filobasidiella neoformans |
| TCMT1463 | Mycobacterium tuberculosis |
| TCMT1465 | Entamoeba histolytica |
Showing 1 to 6 of 6 entries
Ingredient Structrues
Ingredient ID: TCMC2543
Formula: C19H21NO5
Ingredient ID: TCMC2543
| Common Name | N-Trans-Feruloylmethoxytyramine |
| IUPAC Name | (E)-3-(4-hydroxy-3-methoxyphenyl)-N-[2-(4-hydroxy-3-methoxyphenyl)ethyl]prop-2-enamide |
| Canonical SMILES | COc1cc(CCN=C(/C=C/c2ccc(c(c2)OC)O)O)ccc1O |
| Standard InCHI | InChI=1S/C19H21NO5/c1-24-17-11-13(3-6-15(17)21)5-8-19(23)20-10-9-14-4-7-16(22)18(12-14)25-2/h3-8,11-12,21-22H,9-10H2,1-2H3,(H,20,23)/b8-5+ |
| Standard InCHIKey | GRXBVKANHNUZNL-VMPITWQZSA-N |
| External Identifiers | ChEMBL [CHEMBL226588]; PubChem [5352115]; |
| Reference of Component-Ingredient Pair | N/A |
Occurrence of the ingredient across TCM components
| Component ID | Latin Name | Pinyin Name | Chinese Name |
|---|---|---|---|
| TCMH1265 | Chenopodium album | Li | 藜 |
| TCMH213 | Boschniakia rossica | Cao Cong Rong | 草苁蓉 |
| TCMH2513 | Rhododendron mucronulatum | Ying Shan Hong | 映山红 |
| TCMH270 | Clerodendrum trichotomum | Chou Wu Tong | 臭梧桐 |
| TCMH271 | Clerodendrum trichotomum | Chou Wu Tong Ye | 臭梧桐叶 |
| TCMH600 | Euonymus fortunei | Fu Fang Teng | 扶芳藤 |
| TCMH718 | Aristolochia manshuriensis | Guan Mu Tong | 关木通 |
Showing 1 to 7 of 7 entries
Ingredient ID: TCMC2031
Formula: C27H30O16
Ingredient ID: TCMC2031
| 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 |
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 |
| 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 |
Showing 1 to 10 of 215 entries
Ingredient ID: TCMC1767
Formula: C18H19NO4
Ingredient ID: TCMC1767
| Common Name | N-Trans-Feruloyl Tyramine |
| IUPAC Name | (E)-3-(4-hydroxy-3-methoxyphenyl)-N-[2-(4-hydroxyphenyl)ethyl]prop-2-enamide |
| Canonical SMILES | COc1cc(/C=C/C(=NCCc2ccc(cc2)O)O)ccc1O |
| Standard InCHI | InChI=1S/C18H19NO4/c1-23-17-12-14(4-8-16(17)21)5-9-18(22)19-11-10-13-2-6-15(20)7-3-13/h2-9,12,20-21H,10-11H2,1H3,(H,19,22)/b9-5+ |
| Standard InCHIKey | NPNNKDMSXVRADT-WEVVVXLNSA-N |
| External Identifiers | ChEMBL [CHEMBL206555]; PubChem [5280537]; |
| Reference of Component-Ingredient Pair | 11509987 |
Occurrence of the ingredient across TCM components
| Component ID | Latin Name | Pinyin Name | Chinese Name |
|---|---|---|---|
| TCMH1005 | Cannabis sativa | Huo Ma Ren | 火麻仁 |
| TCMH1024 | Tribulus terrestris | Ji Li | 蒺藜 |
| TCMH1185 | Lycium chinense | Gou Qi | 枸杞 |
| TCMH1186 | Lycium chinense | Gou Qi Zi | 枸杞子 |
| TCMH1265 | Chenopodium album | Li | 藜 |
| TCMH1275 | Nelumbo nucifera | Lian Zi | 莲子 |
| TCMH1276 | Nelumbo nucifera | Lian Zi Xin | 莲子心 |
| TCMH1380 | Humulus japonicus | Lv Cao | 葎草 |
| TCMH1396 | Portulaca oleracea | Ma Chi Xian | 马齿苋 |
| TCMH1409 | Cannabis sativa | Ma Ren | 麻仁 |
Showing 1 to 10 of 41 entries
Ingredient ID: TCMC1354
Formula: C17H23NO3
Ingredient ID: TCMC1354
| Common Name | Hyoscyamine |
| IUPAC Name | n.a. |
| Canonical SMILES | OC[C@H](c1ccccc1)C(=O)O[C@@H]1C[C@@H]2CC[C@H](C1)N2C |
| Standard InCHI | InChI=1S/C17H23NO3/c1-18-13-7-8-14(18)10-15(9-13)21-17(20)16(11-19)12-5-3-2-4-6-12/h2-6,13-16,19H,7-11H2,1H3/t13-,14+,15+,16-/m1/s1 |
| Standard InCHIKey | RKUNBYITZUJHSG-FXUDXRNXSA-N |
| External Identifiers | ChEMBL [CHEMBL1331216]; PubChem [N/A]; |
| Reference of Component-Ingredient Pair | N/A |
Occurrence of the ingredient across TCM components
Properties
| Ingredient ID | Formulae | Name | MW | AlogP | MlogP | XlogP | # HBA | # HBD | PSA | # Rotatable Bond | # Ring | # Heacy Atom | Lipinski RO5 Violation |
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| TCMC1354 | C17H23NO3 | Hyoscyamine | 289.17 | -1.8722 | 2.89 | 3.538 | 4 | 1 | 49.77 | 7 | 3 | 21 | 0 |
| TCMC1767 | C18H19NO4 | N-Trans-Feruloyl Tyramine | 313.13 | -0.6499 | 2.89 | 3.109 | 2 | 3 | 82.28 | 10 | 2 | 23 | 0 |
| TCMC2031 | C27H30O16 | Rutin | 610.15 | -6.139 | 2.67 | -1.188 | 11 | 10 | 265.52 | 17 | 5 | 43 | 2 |
| TCMC2543 | C19H21NO5 | N-Trans-Feruloylmethoxytyramine | 343.14 | -0.7017 | 2.89 | 2.665 | 2 | 3 | 91.51 | 12 | 2 | 25 | 0 |
Showing 1 to 4 of 4 entries
Download Data
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