Camalexin
| Internal ID | 5eaa4c47-c541-4484-8d33-868ae16f5870 |
| Taxonomy | Organoheterocyclic compounds > Indoles and derivatives > Indoles |
| IUPAC Name | 2-(1H-indol-3-yl)-1,3-thiazole |
| SMILES (Canonical) | C1=CC=C2C(=C1)C(=CN2)C3=NC=CS3 |
| SMILES (Isomeric) | C1=CC=C2C(=C1)C(=CN2)C3=NC=CS3 |
| InChI | InChI=1S/C11H8N2S/c1-2-4-10-8(3-1)9(7-13-10)11-12-5-6-14-11/h1-7,13H |
| InChI Key | IYODIJVWGPRBGQ-UHFFFAOYSA-N |
| Popularity | 326 references in papers |
| Molecular Formula | C11H8N2S |
| Molecular Weight | 200.26 g/mol |
| Exact Mass | 200.04081944 g/mol |
| Topological Polar Surface Area (TPSA) | 56.90 Ų |
| XlogP | 2.70 |
| 135531-86-1 |
| 3-(1,3-thiazol-2-yl)-1H-indole |
| 2-(1H-indol-3-yl)-1,3-thiazole |
| 3-(thiazol-2-yl)indole |
| CHEBI:22990 |
| 1H-indole, 3-(2-thiazolyl)- |
| (2z)-2-Indol-3-Ylidene-3h-1,3-Thiazole |
| 3-thiazol-2'-yl-indole |
| 3-(2-Thiazolyl)-1H-indole |
| 3-(2-thiazolyl)indole |
| There are more than 10 synonyms. If you wish to see them all click here. |
| Target | Value | Probability (raw) | Probability (%) |
|---|---|---|---|
| No predicted properties yet! | |||
Proven Targets:
| CHEMBL ID | UniProt ID | Name | Min activity | Assay type | Source |
|---|---|---|---|---|---|
| No proven targets yet! | |||||
Predicted Targets (via Super-PRED):
| CHEMBL ID | UniProt ID | Name | Probability | Model accuracy |
|---|---|---|---|---|
| CHEMBL2035 | P08912 | Muscarinic acetylcholine receptor M5 | 95.06% | 94.62% |
| CHEMBL2095172 | P14867 | GABA-A receptor; alpha-1/beta-2/gamma-2 | 93.18% | 92.67% |
| CHEMBL3524 | P56524 | Histone deacetylase 4 | 93.14% | 92.97% |
| CHEMBL1868 | P17948 | Vascular endothelial growth factor receptor 1 | 92.94% | 96.47% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 92.62% | 91.11% |
| CHEMBL4145 | Q9UKV0 | Histone deacetylase 9 | 89.42% | 85.49% |
| CHEMBL3310 | Q96DB2 | Histone deacetylase 11 | 88.79% | 88.56% |
| CHEMBL4225 | P49760 | Dual specificity protein kinase CLK2 | 87.83% | 80.96% |
| CHEMBL2716 | Q8WUI4 | Histone deacetylase 7 | 87.56% | 89.44% |
| CHEMBL213 | P08588 | Beta-1 adrenergic receptor | 87.40% | 95.56% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 87.18% | 94.00% |
| CHEMBL2095226 | P05556 | Integrin alpha-5/beta-1 | 86.14% | 96.39% |
| CHEMBL2292 | Q13627 | Dual-specificity tyrosine-phosphorylation regulated kinase 1A | 85.91% | 93.24% |
| CHEMBL2535 | P11166 | Glucose transporter | 85.59% | 98.75% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 85.16% | 96.09% |
| CHEMBL2094121 | P14867 | GABA-A receptor; alpha-1/beta-3/gamma-2 | 84.86% | 95.50% |
| CHEMBL1951 | P21397 | Monoamine oxidase A | 84.71% | 91.49% |
| CHEMBL255 | P29275 | Adenosine A2b receptor | 84.66% | 98.59% |
| CHEMBL3902 | P09211 | Glutathione S-transferase Pi | 84.50% | 93.81% |
| CHEMBL2581 | P07339 | Cathepsin D | 84.20% | 98.95% |
| CHEMBL2708 | Q16584 | Mitogen-activated protein kinase kinase kinase 11 | 83.16% | 81.14% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 82.38% | 95.56% |
| CHEMBL240 | Q12809 | HERG | 81.92% | 89.76% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 81.77% | 99.23% |
| CHEMBL1821 | P08173 | Muscarinic acetylcholine receptor M4 | 81.70% | 94.08% |
| CHEMBL4101 | P17612 | cAMP-dependent protein kinase alpha-catalytic subunit | 81.50% | 82.86% |
| CHEMBL2378 | P30307 | Dual specificity phosphatase Cdc25C | 81.24% | 96.67% |
| CHEMBL4302 | P08183 | P-glycoprotein 1 | 80.62% | 92.98% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 80.31% | 89.00% |
Below are displayed all the plants proven (via scientific papers) to contain this
compound!
To see more specific details click the taxa you are interested in.
To see more specific details click the taxa you are interested in.
| Arabidopsis thaliana |
| Camelina sativa |
| PubChem | 636970 |
| LOTUS | LTS0266615 |
| wikiData | Q19903715 |