Description of the Component
Component ID |
TCMH1445 |
Latin Name |
Datura metel |
English Name |
Hindu datura seed |
Chinese Pinyin Name |
Man Tuo Luo Zi |
中文名 |
曼陀罗子 |
TCM Properties |
|
TCM Meridians |
|
Therapeutic Class English |
|
Therapeutic Class Chinese |
|
Functions |
|
Toxicity |
NA |
Geo-authentic habitats (道地产区) |
NA |
Reference |
CFDA |
Barcode ID |
ITSAM3639-14 |
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 |
| TCMT126 | TERT | Telomerase reverse transcriptase | Transferase | O14746 |
| TCMT150 | RORC | Nuclear receptor ROR-gamma | Nuclear receptor | P51449 |
| TCMT156 | CYP19A1 | Cytochrome P450 19A1 | Oxidoreductase | P11511 |
| TCMT17 | POLB | DNA polymerase beta | Transferase | P06746 |
| TCMT176 | SOAT1 | Acyl coenzyme A:cholesterol acyltransferase 1 | Transferase | P35610 |
| TCMT189 | DUSP3 | Dual specificity protein phosphatase 3 | Hydrolase | P51452 |
| TCMT2 | MAPT | Microtubule-associated protein tau | Unclassified | P10636 |
| TCMT248 | CXCL8 | Interleukin-8 | Unclassified | P10145 |
| TCMT290 | CHRM5 | Muscarinic acetylcholine receptor M5 | GPCR | P08912 |
Showing 1 to 10 of 29 entries
Targeted Pathogenic Microbes by the Ingredient of Component
| Target ID | Target Name |
|---|---|
| TCMT1455 | Mycobacterium tuberculosis H37Rv |
Showing 1 to 1 of 1 entries
Ingredient Structrues
Ingredient ID: TCMC50
Formula: C8H15NO
Ingredient ID: TCMC50
| Common Name | (1S,5R)-8-Methyl-8-Azabicyclo[3.2.1]Octan-3-Ol |
| IUPAC Name | (1S,5R)-8-methyl-8-azabicyclo[3.2.1]octan-3-ol |
| Canonical SMILES | OC1C[C@@H]2CC[C@H](C1)N2C |
| Standard InCHI | InChI=1S/C8H15NO/c1-9-6-2-3-7(9)5-8(10)4-6/h6-8,10H,2-5H2,1H3/t6-,7+,8? |
| Standard InCHIKey | CYHOMWAPJJPNMW-DHBOJHSNSA-N |
| External Identifiers | ChEMBL [CHEMBL1356617]; PubChem [449293]; |
| Reference of Component-Ingredient Pair | N/A |
Occurrence of the ingredient across TCM components
| Component ID | Latin Name | Pinyin Name | Chinese Name |
|---|---|---|---|
| TCMH1442 | Datura stramonium | Man Tuo Luo | 曼陀罗 |
| TCMH1443 | Datura stramonium | Man Tuo Luo Jin Gao | 曼陀罗浸膏 |
| TCMH1444 | Datura metel | Man Tuo Luo Ye | 曼陀罗叶 |
| TCMH1445 | Datura metel | Man Tuo Luo Zi | 曼陀罗子 |
| TCMH1830 | Anisodus tanguticus | Shan Lang Dang | 山莨菪 |
| TCMH209 | Anisodus tanguticus | Cang Qie Gen | 藏茄根 |
| TCMH2367 | Linum usitatissimum | Ya Ma Zi | 亚麻子 |
| TCMH2431 | Datura metel | Yang Jin Hua | 洋金花 |
| TCMH2449 | Atropa belladonna | Ye Dian Qie | 野颠茄 |
| TCMH2748 | Datura stramonium | Zui Xian Tao | 醉仙桃 |
Showing 1 to 10 of 13 entries
Ingredient ID: TCMC2006
Formula: C20H30O
Ingredient ID: TCMC2006
| Common Name | Retinol |
| IUPAC Name | (2E,4E,6E,8E)-3,7-dimethyl-9-(2,6,6-trimethylcyclohexen-1-yl)nona-2,4,6,8-tetraen-1-ol |
| Canonical SMILES | OC/C=C(/C=C/C=C(/C=C/C1=C(C)CCCC1(C)C)C)C |
| Standard InCHI | InChI=1S/C20H30O/c1-16(8-6-9-17(2)13-15-21)11-12-19-18(3)10-7-14-20(19,4)5/h6,8-9,11-13,21H,7,10,14-15H2,1-5H3/b9-6+,12-11+,16-8+,17-13+ |
| Standard InCHIKey | FPIPGXGPPPQFEQ-OVSJKPMPSA-N |
| External Identifiers | ChEMBL [CHEMBL986]; PubChem [445354]; |
| Reference of Component-Ingredient Pair | 25051504 |
Occurrence of the ingredient across TCM components
| Component ID | Latin Name | Pinyin Name | Chinese Name |
|---|---|---|---|
| TCMH1175 | Cornus officinalis | Jiu Yu Rou | 酒萸肉 |
| TCMH1431 | Vitex trifolia | Man Jing Ye | 蔓荆叶 |
| TCMH1432 | Vitex trifolia | Man Jing Zi | 蔓荆子 |
| TCMH1444 | Datura metel | Man Tuo Luo Ye | 曼陀罗叶 |
| TCMH1445 | Datura metel | Man Tuo Luo Zi | 曼陀罗子 |
| TCMH1665 | Notopterygium incisum | Qiang Huo | 羌活 |
| TCMH1734 | Homo sapiens | Ren Zhong Bai | 人中白 |
| TCMH1846 | Artemisia capillaris | Shan Yin Chen | 山茵陈 |
| TCMH1862 | Cornus officinalis | Shan Zhu Yu | 山茱萸 |
| TCMH2154 | Artemisia capillaris | Tu Yin Chen Hao | 土茵陈蒿 |
Showing 1 to 10 of 16 entries
Ingredient ID: TCMC200
Formula: C17H23NO3
Ingredient ID: TCMC200
| Common Name | [(1S,5R)-8-Methyl-8-Azabicyclo[3.2.1]Octan-3-Yl] (2R)-3-Hydroxy-2-Phenylpropanoate |
| IUPAC Name | [(1S,5R)-8-methyl-8-azabicyclo[3.2.1]octan-3-yl] (2R)-3-hydroxy-2-phenylpropanoate |
| Canonical SMILES | OC[C@@H](c1ccccc1)C(=O)OC1C[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-/m0/s1 |
| Standard InCHIKey | RKUNBYITZUJHSG-QXULXFAOSA-N |
| External Identifiers | ChEMBL [CHEMBL1379091]; PubChem [637577]; |
| Reference of Component-Ingredient Pair | 22997096 |
Occurrence of the ingredient across TCM components
| Component ID | Latin Name | Pinyin Name | Chinese Name |
|---|---|---|---|
| TCMH1185 | Lycium chinense | Gou Qi | 枸杞 |
| TCMH1186 | Lycium chinense | Gou Qi Zi | 枸杞子 |
| TCMH1442 | Datura stramonium | Man Tuo Luo | 曼陀罗 |
| TCMH1443 | Datura stramonium | Man Tuo Luo Jin Gao | 曼陀罗浸膏 |
| TCMH1444 | Datura metel | Man Tuo Luo Ye | 曼陀罗叶 |
| TCMH1445 | Datura metel | Man Tuo Luo Zi | 曼陀罗子 |
| TCMH2367 | Linum usitatissimum | Ya Ma Zi | 亚麻子 |
| TCMH2431 | Datura metel | Yang Jin Hua | 洋金花 |
| TCMH2449 | Atropa belladonna | Ye Dian Qie | 野颠茄 |
| TCMH2748 | Datura stramonium | Zui Xian Tao | 醉仙桃 |
Showing 1 to 10 of 13 entries
Ingredient ID: TCMC1788
Formula: C18H34O2
Ingredient ID: TCMC1788
| 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 |
Occurrence of the ingredient across TCM components
| 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 |
Showing 1 to 10 of 166 entries
Ingredient ID: TCMC1626
Formula: C8H13NO2
Ingredient ID: TCMC1626
| Common Name | n.a. |
| IUPAC Name | n.a. |
| Canonical SMILES | CN1C2CC3CC1C(C2O)O3 |
| Standard InCHI | InChI=1S/C8H13NO2/c1-9-5-2-4-3-6(9)8(11-4)7(5)10/h4-8,10H,2-3H2,1H3 |
| Standard InCHIKey | MEGPURSNXMUDAE-UHFFFAOYSA-N |
| External Identifiers | ChEMBL [CHEMBL1394721]; PubChem [261184]; |
| Reference of Component-Ingredient Pair | N/A |
Occurrence of the ingredient across TCM components
| Component ID | Latin Name | Pinyin Name | Chinese Name |
|---|---|---|---|
| TCMH1442 | Datura stramonium | Man Tuo Luo | 曼陀罗 |
| TCMH1443 | Datura stramonium | Man Tuo Luo Jin Gao | 曼陀罗浸膏 |
| TCMH1444 | Datura metel | Man Tuo Luo Ye | 曼陀罗叶 |
| TCMH1445 | Datura metel | Man Tuo Luo Zi | 曼陀罗子 |
| TCMH2431 | Datura metel | Yang Jin Hua | 洋金花 |
| TCMH2748 | Datura stramonium | Zui Xian Tao | 醉仙桃 |
| TCMH584 | Datura stramonium | Feng Qie Hua | 枫茄花 |
Showing 1 to 7 of 7 entries
Ingredient ID: TCMC1495
Formula: C18H32O2
Ingredient ID: TCMC1495
| 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 |
Occurrence of the ingredient across TCM components
| 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 |
Showing 1 to 10 of 216 entries
Ingredient ID: TCMC1107
Formula: C17H23NO3
Ingredient ID: TCMC1107
| Common Name | Endo-Atropine |
| IUPAC Name | [(1S,5R)-8-methyl-8-azabicyclo[3.2.1]octan-3-yl] (2S)-3-hydroxy-2-phenylpropanoate |
| Canonical SMILES | OC[C@H](c1ccccc1)C(=O)OC1C[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-VFSICIBPSA-N |
| External Identifiers | ChEMBL [CHEMBL2449003]; PubChem [154417]; |
| Reference of Component-Ingredient Pair | N/A |
Occurrence of the ingredient across TCM components
| Component ID | Latin Name | Pinyin Name | Chinese Name |
|---|---|---|---|
| TCMH1185 | Lycium chinense | Gou Qi | 枸杞 |
| TCMH1186 | Lycium chinense | Gou Qi Zi | 枸杞子 |
| TCMH1442 | Datura stramonium | Man Tuo Luo | 曼陀罗 |
| TCMH1443 | Datura stramonium | Man Tuo Luo Jin Gao | 曼陀罗浸膏 |
| TCMH1444 | Datura metel | Man Tuo Luo Ye | 曼陀罗叶 |
| TCMH1445 | Datura metel | Man Tuo Luo Zi | 曼陀罗子 |
| TCMH1830 | Anisodus tanguticus | Shan Lang Dang | 山莨菪 |
| TCMH209 | Anisodus tanguticus | Cang Qie Gen | 藏茄根 |
| TCMH2367 | Linum usitatissimum | Ya Ma Zi | 亚麻子 |
| TCMH2431 | Datura metel | Yang Jin Hua | 洋金花 |
Showing 1 to 10 of 16 entries
Properties
| Ingredient ID | Formulae | Name | MW | AlogP | MlogP | XlogP | # HBA | # HBD | PSA | # Rotatable Bond | # Ring | # Heacy Atom | Lipinski RO5 Violation |
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| TCMC1107 | C17H23NO3 | Endo-Atropine | 289.17 | -1.8722 | 2.89 | 3.538 | 4 | 1 | 49.77 | 7 | 3 | 21 | 0 |
| TCMC1495 | C18H32O2 | Linoleic Acid | 280.24 | -0.9485 | 3.22 | 7.865 | 2 | 1 | 37.3 | 16 | 0 | 20 | 2 |
| TCMC1626 | C8H13NO2 | 155.09 | -1.3269 | 2.01 | -0.565 | 3 | 1 | 32.7 | 2 | 2 | 11 | 0 | |
| TCMC1788 | C18H34O2 | Oleic Acid | 282.26 | -2.3427 | 3.22 | 8.192 | 2 | 1 | 37.3 | 17 | 0 | 20 | 2 |
| TCMC200 | C17H23NO3 | [(1S,5R)-8-Methyl-8-Azabicyclo[3.2.1]Octan-3-Yl] (2R)-3-Hydroxy-2-Phenylpropanoate | 289.17 | -1.8722 | 2.89 | 3.538 | 4 | 1 | 49.77 | 7 | 3 | 21 | 0 |
| TCMC2006 | C20H30O | Retinol | 286.23 | 3.7849 | 3.55 | 6.158 | 1 | 1 | 20.23 | 11 | 1 | 21 | 1 |
| TCMC50 | C8H15NO | (1S,5R)-8-Methyl-8-Azabicyclo[3.2.1]Octan-3-Ol | 141.12 | -1.648 | 2.12 | 0.477 | 2 | 1 | 23.47 | 2 | 2 | 10 | 0 |
Showing 1 to 7 of 7 entries
Download Data
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