8-Chloro-7-ethenyl-7,11,11-trimethyl-3-thia-5,17-diazapentacyclo[10.6.1.02,6.02,10.016,19]nonadeca-1(18),12(19),13,15-tetraen-4-one
| Internal ID | 3c3aa258-bd1d-4146-9d85-830c4be55bea |
| Taxonomy | Organoheterocyclic compounds > Indoles and derivatives > Indoles > 3-alkylindoles |
| IUPAC Name | 8-chloro-7-ethenyl-7,11,11-trimethyl-3-thia-5,17-diazapentacyclo[10.6.1.02,6.02,10.016,19]nonadeca-1(18),12(19),13,15-tetraen-4-one |
| SMILES (Canonical) | |
| SMILES (Isomeric) | |
| InChI | InChI=1S/C21H23ClN2OS/c1-5-20(4)15(22)9-14-19(2,3)11-7-6-8-13-16(11)12(10-23-13)21(14)17(20)24-18(25)26-21/h5-8,10,14-15,17,23H,1,9H2,2-4H3,(H,24,25) |
| InChI Key | HQHRKXNDJILQCX-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C21H23ClN2OS |
| Molecular Weight | 386.90 g/mol |
| Exact Mass | 386.1219622 g/mol |
| Topological Polar Surface Area (TPSA) | 70.20 Ų |
| XlogP | 5.20 |
| There are no found synonyms. |
![2D Structure of 8-Chloro-7-ethenyl-7,11,11-trimethyl-3-thia-5,17-diazapentacyclo[10.6.1.02,6.02,10.016,19]nonadeca-1(18),12(19),13,15-tetraen-4-one](https://plantaedb.com/storage/docs/compounds/2023/11/df6ec2a0-8651-11ee-bc5f-595e79882428.jpg "2D Structure of 8-Chloro-7-ethenyl-7,11,11-trimethyl-3-thia-5,17-diazapentacyclo[10.6.1.02,6.02,10.016,19]nonadeca-1(18),12(19),13,15-tetraen-4-one")
| 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 |
|---|---|---|---|---|
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 97.04% | 94.45% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 96.51% | 95.56% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 95.82% | 91.11% |
| CHEMBL2035 | P08912 | Muscarinic acetylcholine receptor M5 | 94.98% | 94.62% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 91.37% | 96.09% |
| CHEMBL1937 | Q92769 | Histone deacetylase 2 | 91.09% | 94.75% |
| CHEMBL3310 | Q96DB2 | Histone deacetylase 11 | 89.76% | 88.56% |
| CHEMBL2095226 | P05556 | Integrin alpha-5/beta-1 | 87.09% | 96.39% |
| CHEMBL4224 | P49759 | Dual specificty protein kinase CLK1 | 87.06% | 85.30% |
| CHEMBL1907600 | Q00535 | Cyclin-dependent kinase 5/CDK5 activator 1 | 86.71% | 93.03% |
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 86.45% | 97.25% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 86.36% | 97.09% |
| CHEMBL2581 | P07339 | Cathepsin D | 86.20% | 98.95% |
| CHEMBL4530 | P00488 | Coagulation factor XIII | 81.66% | 96.00% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 80.97% | 86.33% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 80.67% | 95.89% |
| CHEMBL2996 | Q05655 | Protein kinase C delta | 80.47% | 97.79% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 80.12% | 100.00% |
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.
| There are no matching plants. |
| PubChem | 14650257 |
| LOTUS | LTS0215726 |
| wikiData | Q104168266 |