3-(Isothiocyanatomethyl)-1-methoxy-1H-indole
| Internal ID | 956a41d7-04d9-459c-bb89-011956ee80a6 |
| Taxonomy | Organoheterocyclic compounds > Indoles and derivatives > Indoles > 3-alkylindoles |
| IUPAC Name | 3-(isothiocyanatomethyl)-1-methoxyindole |
| SMILES (Canonical) | CON1C=C(C2=CC=CC=C21)CN=C=S |
| SMILES (Isomeric) | CON1C=C(C2=CC=CC=C21)CN=C=S |
| InChI | InChI=1S/C11H10N2OS/c1-14-13-7-9(6-12-8-15)10-4-2-3-5-11(10)13/h2-5,7H,6H2,1H3 |
| InChI Key | FLURSKCCKANNKS-UHFFFAOYSA-N |
| Popularity | 1 reference in papers |
| Molecular Formula | C11H10N2OS |
| Molecular Weight | 218.28 g/mol |
| Exact Mass | 218.05138412 g/mol |
| Topological Polar Surface Area (TPSA) | 58.60 Ų |
| XlogP | 3.70 |
| 126769-93-5 |
| (1-Methoxyindol-3-yl)methyl isothiocyanate |
| 1H-Indole, 3-(isothiocyanatomethyl)-1-methoxy- |
| 3-(ISOTHIOCYANATOMETHYL)-1-METHOXYINDOLE |
| BT3Q2384JX |
| SCHEMBL1074789 |
| DTXSID80557426 |
| CHEBI:136932 |
| N-methoxy-3-indolylmethyl isothiocyanate |
| 1-methoxyindol-3-ylmethyl isothiocyanate |
| 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 |
|---|---|---|---|---|
| CHEMBL240 | Q12809 | HERG | 98.75% | 89.76% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 95.21% | 96.09% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 92.75% | 95.56% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 92.45% | 91.11% |
| CHEMBL2581 | P07339 | Cathepsin D | 90.82% | 98.95% |
| CHEMBL1075094 | Q16236 | Nuclear factor erythroid 2-related factor 2 | 87.55% | 96.00% |
| CHEMBL2085 | P14174 | Macrophage migration inhibitory factor | 86.20% | 80.78% |
| CHEMBL2885 | P07451 | Carbonic anhydrase III | 85.60% | 87.45% |
| CHEMBL3192 | Q9BY41 | Histone deacetylase 8 | 84.52% | 93.99% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 84.45% | 86.33% |
| CHEMBL225 | P28335 | Serotonin 2c (5-HT2c) receptor | 82.99% | 89.62% |
| CHEMBL216 | P11229 | Muscarinic acetylcholine receptor M1 | 82.53% | 94.23% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 80.49% | 94.73% |
| CHEMBL2035 | P08912 | Muscarinic acetylcholine receptor M5 | 80.08% | 94.62% |
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 | 14206111 |
| LOTUS | LTS0215938 |
| wikiData | Q82439312 |