3-[4-methyl-7-(2-methylpropyl)-1,2,3,5,6-pentathiepan-4-yl]-1H-indole
| Internal ID | 0c9974f8-167d-4b3c-9dd2-7fa77e1766f4 |
| Taxonomy | Organoheterocyclic compounds > Indoles and derivatives > Indoles > 3-alkylindoles |
| IUPAC Name | 3-[4-methyl-7-(2-methylpropyl)-1,2,3,5,6-pentathiepan-4-yl]-1H-indole |
| SMILES (Canonical) | |
| SMILES (Isomeric) | |
| InChI | InChI=1S/C15H19NS5/c1-10(2)8-14-17-19-15(3,20-21-18-14)12-9-16-13-7-5-4-6-11(12)13/h4-7,9-10,14,16H,8H2,1-3H3 |
| InChI Key | LVKOMJVCCLNUDQ-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C15H19NS5 |
| Molecular Weight | 373.70 g/mol |
| Exact Mass | 373.01210548 g/mol |
| Topological Polar Surface Area (TPSA) | 142.00 Ų |
| XlogP | 5.60 |
| There are no found synonyms. |
![2D Structure of 3-[4-methyl-7-(2-methylpropyl)-1,2,3,5,6-pentathiepan-4-yl]-1H-indole](https://plantaedb.com/storage/docs/compounds/2023/11/3-4-methyl-7-2-methylpropyl-12356-pentathiepan-4-yl-1h-indole.jpg "2D Structure of 3-[4-methyl-7-(2-methylpropyl)-1,2,3,5,6-pentathiepan-4-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 | 97.44% | 91.11% |
| CHEMBL2035 | P08912 | Muscarinic acetylcholine receptor M5 | 95.64% | 94.62% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 94.62% | 96.09% |
| CHEMBL2581 | P07339 | Cathepsin D | 92.53% | 98.95% |
| CHEMBL2996 | Q05655 | Protein kinase C delta | 91.52% | 97.79% |
| CHEMBL216 | P11229 | Muscarinic acetylcholine receptor M1 | 90.52% | 94.23% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 90.51% | 95.56% |
| CHEMBL1937 | Q92769 | Histone deacetylase 2 | 90.10% | 94.75% |
| CHEMBL3310 | Q96DB2 | Histone deacetylase 11 | 90.03% | 88.56% |
| CHEMBL3192 | Q9BY41 | Histone deacetylase 8 | 89.68% | 93.99% |
| CHEMBL3155 | P34969 | Serotonin 7 (5-HT7) receptor | 88.81% | 90.71% |
| CHEMBL3830 | Q2M2I8 | Adaptor-associated kinase | 87.98% | 83.10% |
| CHEMBL4145 | Q9UKV0 | Histone deacetylase 9 | 87.57% | 85.49% |
| CHEMBL1907 | P15144 | Aminopeptidase N | 86.96% | 93.31% |
| CHEMBL2716 | Q8WUI4 | Histone deacetylase 7 | 86.33% | 89.44% |
| CHEMBL222 | P23975 | Norepinephrine transporter | 85.38% | 96.06% |
| CHEMBL1821 | P08173 | Muscarinic acetylcholine receptor M4 | 85.05% | 94.08% |
| CHEMBL4051 | P13569 | Cystic fibrosis transmembrane conductance regulator | 84.94% | 95.71% |
| CHEMBL225 | P28335 | Serotonin 2c (5-HT2c) receptor | 84.12% | 89.62% |
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 83.79% | 97.25% |
| CHEMBL5103 | Q969S8 | Histone deacetylase 10 | 83.74% | 90.08% |
| CHEMBL255 | P29275 | Adenosine A2b receptor | 83.68% | 98.59% |
| CHEMBL2959 | Q08881 | Tyrosine-protein kinase ITK/TSK | 83.29% | 95.00% |
| CHEMBL213 | P08588 | Beta-1 adrenergic receptor | 82.91% | 95.56% |
| CHEMBL2535 | P11166 | Glucose transporter | 82.76% | 98.75% |
| CHEMBL2373 | P21730 | C5a anaphylatoxin chemotactic receptor | 82.75% | 92.62% |
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.
| There are no matching plants. |
| PubChem | 163034783 |
| LOTUS | LTS0181505 |
| wikiData | Q105157887 |