[5-[1-[2-(1H-imidazol-5-yl)ethyl]-2,5-dioxopyrrol-3-yl]-2-[2-(1,2,5,5-tetramethyl-2,3,4,4a,6,7-hexahydronaphthalen-1-yl)ethyl]pentyl] hydrogen sulfate
| Internal ID | 1c61fa90-b97b-44fc-bcf3-df3b5daa9c48 |
| Taxonomy | Organoheterocyclic compounds > Pyrrolidines > Pyrrolidones > Maleimides |
| IUPAC Name | [5-[1-[2-(1H-imidazol-5-yl)ethyl]-2,5-dioxopyrrol-3-yl]-2-[2-(1,2,5,5-tetramethyl-2,3,4,4a,6,7-hexahydronaphthalen-1-yl)ethyl]pentyl] hydrogen sulfate |
| SMILES (Canonical) | |
| SMILES (Isomeric) | |
| InChI | InChI=1S/C30H45N3O6S/c1-21-10-11-25-26(9-6-14-29(25,2)3)30(21,4)15-12-22(19-39-40(36,37)38)7-5-8-23-17-27(34)33(28(23)35)16-13-24-18-31-20-32-24/h9,17-18,20-22,25H,5-8,10-16,19H2,1-4H3,(H,31,32)(H,36,37,38) |
| InChI Key | KYSKWYJBCHWKSD-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C30H45N3O6S |
| Molecular Weight | 575.80 g/mol |
| Exact Mass | 575.30290734 g/mol |
| Topological Polar Surface Area (TPSA) | 138.00 Ų |
| XlogP | 5.30 |
| There are no found synonyms. |
![2D Structure of [5-[1-[2-(1H-imidazol-5-yl)ethyl]-2,5-dioxopyrrol-3-yl]-2-[2-(1,2,5,5-tetramethyl-2,3,4,4a,6,7-hexahydronaphthalen-1-yl)ethyl]pentyl] hydrogen sulfate](https://plantaedb.com/storage/docs/compounds/2023/11/32cdabc0-8479-11ee-a304-317d78072447.jpg "2D Structure of [5-[1-[2-(1H-imidazol-5-yl)ethyl]-2,5-dioxopyrrol-3-yl]-2-[2-(1,2,5,5-tetramethyl-2,3,4,4a,6,7-hexahydronaphthalen-1-yl)ethyl]pentyl] hydrogen sulfate")
| 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 | 99.58% | 96.09% |
| CHEMBL5697 | Q9GZT9 | Egl nine homolog 1 | 98.44% | 93.40% |
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 97.18% | 97.25% |
| CHEMBL255 | P29275 | Adenosine A2b receptor | 94.50% | 98.59% |
| CHEMBL2581 | P07339 | Cathepsin D | 94.26% | 98.95% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 94.11% | 94.45% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 93.04% | 95.56% |
| CHEMBL4588 | P22894 | Matrix metalloproteinase 8 | 92.70% | 94.66% |
| CHEMBL4026 | P40763 | Signal transducer and activator of transcription 3 | 91.83% | 82.69% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 91.04% | 95.89% |
| CHEMBL1907600 | Q00535 | Cyclin-dependent kinase 5/CDK5 activator 1 | 90.42% | 93.03% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 90.09% | 99.23% |
| CHEMBL284 | P27487 | Dipeptidyl peptidase IV | 89.92% | 95.69% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 89.60% | 94.00% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 89.37% | 97.09% |
| CHEMBL4303 | P08238 | Heat shock protein HSP 90-beta | 88.52% | 96.77% |
| CHEMBL1937 | Q92769 | Histone deacetylase 2 | 86.55% | 94.75% |
| CHEMBL2274 | Q9H228 | Sphingosine 1-phosphate receptor Edg-8 | 86.41% | 100.00% |
| CHEMBL5469 | Q14289 | Protein tyrosine kinase 2 beta | 85.68% | 91.03% |
| CHEMBL226 | P30542 | Adenosine A1 receptor | 85.16% | 95.93% |
| CHEMBL3038469 | P24941 | CDK2/Cyclin A | 84.66% | 91.38% |
| CHEMBL5255 | O00206 | Toll-like receptor 4 | 84.58% | 92.50% |
| CHEMBL202 | P00374 | Dihydrofolate reductase | 84.51% | 89.92% |
| CHEMBL2095194 | P08709 | Coagulation factor VII/tissue factor | 84.23% | 99.17% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 84.23% | 86.33% |
| CHEMBL3713062 | P10646 | Tissue factor pathway inhibitor | 83.92% | 97.33% |
| CHEMBL3746 | P80365 | 11-beta-hydroxysteroid dehydrogenase 2 | 83.46% | 94.78% |
| CHEMBL5163 | Q9NY46 | Sodium channel protein type III alpha subunit | 82.46% | 96.90% |
| CHEMBL1966 | Q02127 | Dihydroorotate dehydrogenase | 81.61% | 96.09% |
| CHEMBL5103 | Q969S8 | Histone deacetylase 10 | 81.57% | 90.08% |
| CHEMBL5845 | P23415 | Glycine receptor subunit alpha-1 | 80.23% | 90.71% |
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 | 56677505 |
| LOTUS | LTS0132696 |
| wikiData | Q105147908 |