3-[(3S,5S)-3-methyl-5-(2-methylpropyl)-1,2,4-trithiolan-3-yl]-1H-indole
| Internal ID | 29713e86-a25e-4cc7-ace7-e14d4f5943e6 |
| Taxonomy | Organoheterocyclic compounds > Indoles and derivatives > Indoles > 3-alkylindoles |
| IUPAC Name | 3-[(3S,5S)-3-methyl-5-(2-methylpropyl)-1,2,4-trithiolan-3-yl]-1H-indole |
| SMILES (Canonical) | |
| SMILES (Isomeric) | |
| InChI | InChI=1S/C15H19NS3/c1-10(2)8-14-17-15(3,19-18-14)12-9-16-13-7-5-4-6-11(12)13/h4-7,9-10,14,16H,8H2,1-3H3/t14-,15-/m0/s1 |
| InChI Key | YQUWBLJTTTZQHE-GJZGRUSLSA-N |
| Popularity | 2 references in papers |
| Molecular Formula | C15H19NS3 |
| Molecular Weight | 309.50 g/mol |
| Exact Mass | 309.06796313 g/mol |
| Topological Polar Surface Area (TPSA) | 91.70 Ų |
| XlogP | 5.10 |
| There are no found synonyms. |
![2D Structure of 3-[(3S,5S)-3-methyl-5-(2-methylpropyl)-1,2,4-trithiolan-3-yl]-1H-indole](https://plantaedb.com/storage/docs/compounds/2023/11/3-3s5s-3-methyl-5-2-methylpropyl-124-trithiolan-3-yl-1h-indole.jpg "2D Structure of 3-[(3S,5S)-3-methyl-5-(2-methylpropyl)-1,2,4-trithiolan-3-yl]-1H-indole")
| 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 |
|---|---|---|---|---|
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 98.73% | 91.11% |
| CHEMBL2035 | P08912 | Muscarinic acetylcholine receptor M5 | 95.36% | 94.62% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 93.02% | 96.09% |
| CHEMBL2581 | P07339 | Cathepsin D | 92.71% | 98.95% |
| CHEMBL3310 | Q96DB2 | Histone deacetylase 11 | 92.46% | 88.56% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 90.77% | 95.56% |
| CHEMBL2996 | Q05655 | Protein kinase C delta | 90.72% | 97.79% |
| CHEMBL1937 | Q92769 | Histone deacetylase 2 | 90.34% | 94.75% |
| CHEMBL3830 | Q2M2I8 | Adaptor-associated kinase | 88.06% | 83.10% |
| CHEMBL3155 | P34969 | Serotonin 7 (5-HT7) receptor | 86.74% | 90.71% |
| CHEMBL4051 | P13569 | Cystic fibrosis transmembrane conductance regulator | 86.71% | 95.71% |
| CHEMBL216 | P11229 | Muscarinic acetylcholine receptor M1 | 86.55% | 94.23% |
| CHEMBL4145 | Q9UKV0 | Histone deacetylase 9 | 86.39% | 85.49% |
| CHEMBL2716 | Q8WUI4 | Histone deacetylase 7 | 85.43% | 89.44% |
| CHEMBL1914 | P06276 | Butyrylcholinesterase | 83.60% | 95.00% |
| CHEMBL222 | P23975 | Norepinephrine transporter | 82.93% | 96.06% |
| CHEMBL2373 | P21730 | C5a anaphylatoxin chemotactic receptor | 82.75% | 92.62% |
| CHEMBL213 | P08588 | Beta-1 adrenergic receptor | 82.51% | 95.56% |
| CHEMBL1821 | P08173 | Muscarinic acetylcholine receptor M4 | 82.41% | 94.08% |
| CHEMBL2959 | Q08881 | Tyrosine-protein kinase ITK/TSK | 82.26% | 95.00% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 82.21% | 94.45% |
| CHEMBL2535 | P11166 | Glucose transporter | 81.71% | 98.75% |
| CHEMBL5103 | Q969S8 | Histone deacetylase 10 | 81.70% | 90.08% |
| CHEMBL1907 | P15144 | Aminopeptidase N | 80.52% | 93.31% |
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.
| There are no matching plants. |
| PubChem | 163195134 |
| LOTUS | LTS0202356 |
| wikiData | Q105352605 |