3-Isothiocyanato-4-methoxy-1H-indole
| Internal ID | 0ba43d60-2041-4e17-b114-e51e50c78fd7 |
| Taxonomy | Organoheterocyclic compounds > Indoles and derivatives > Indoles |
| IUPAC Name | 3-isothiocyanato-4-methoxy-1H-indole |
| SMILES (Canonical) | COC1=CC=CC2=C1C(=CN2)N=C=S |
| SMILES (Isomeric) | COC1=CC=CC2=C1C(=CN2)N=C=S |
| InChI | InChI=1S/C10H8N2OS/c1-13-9-4-2-3-7-10(9)8(5-11-7)12-6-14/h2-5,11H,1H3 |
| InChI Key | DJDFPSQNQFBWJR-UHFFFAOYSA-N |
| Popularity | 7 references in papers |
| Molecular Formula | C10H8N2OS |
| Molecular Weight | 204.25 g/mol |
| Exact Mass | 204.03573406 g/mol |
| Topological Polar Surface Area (TPSA) | 69.50 Ų |
| XlogP | 3.40 |
| 3-Isothiocyanato-4-methoxy-1H-indole |
| 929083-72-7 |
| CHEMBL2253033 |
| SCHEMBL19400912 |
| DTXSID70582863 |
| 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 |
|---|---|---|---|---|
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 93.54% | 96.09% |
| CHEMBL2535 | P11166 | Glucose transporter | 93.13% | 98.75% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 91.36% | 91.11% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 90.47% | 94.45% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 89.58% | 95.56% |
| CHEMBL3192 | Q9BY41 | Histone deacetylase 8 | 89.26% | 93.99% |
| CHEMBL1907 | P15144 | Aminopeptidase N | 88.33% | 93.31% |
| CHEMBL1075094 | Q16236 | Nuclear factor erythroid 2-related factor 2 | 88.05% | 96.00% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 87.73% | 86.33% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 86.91% | 94.00% |
| CHEMBL225 | P28335 | Serotonin 2c (5-HT2c) receptor | 82.58% | 89.62% |
| CHEMBL213 | P08588 | Beta-1 adrenergic receptor | 82.45% | 95.56% |
| CHEMBL2095172 | P14867 | GABA-A receptor; alpha-1/beta-2/gamma-2 | 82.11% | 92.67% |
| CHEMBL4714 | Q15077 | Pyrimidinergic receptor P2Y6 | 81.74% | 88.00% |
| CHEMBL3227 | P41594 | Metabotropic glutamate receptor 5 | 81.63% | 96.42% |
| CHEMBL2581 | P07339 | Cathepsin D | 81.38% | 98.95% |
| CHEMBL1255126 | O15151 | Protein Mdm4 | 80.89% | 90.20% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 80.76% | 95.89% |
| CHEMBL4306 | P22460 | Voltage-gated potassium channel subunit Kv1.5 | 80.22% | 94.03% |
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 |
| PubChem | 16102148 |
| LOTUS | LTS0151334 |
| wikiData | Q82474364 |