2-[[(4Z)-4-[4-(1,3-benzodioxol-5-ylmethyl)-1-methylimidazol-2-yl]imino-1-methyl-5-oxoimidazolidin-2-ylidene]amino]ethanesulfonic acid
| Internal ID | 92484cb0-e3a9-40ae-bd3c-46db8c649c07 |
| Taxonomy | Organic acids and derivatives > Carboxylic acids and derivatives > Amino acids, peptides, and analogues > Alpha amino acids and derivatives |
| IUPAC Name | 2-[[(4Z)-4-[4-(1,3-benzodioxol-5-ylmethyl)-1-methylimidazol-2-yl]imino-1-methyl-5-oxoimidazolidin-2-ylidene]amino]ethanesulfonic acid |
| SMILES (Canonical) | |
| SMILES (Isomeric) | |
| InChI | InChI=1S/C18H20N6O6S/c1-23-9-12(7-11-3-4-13-14(8-11)30-10-29-13)20-18(23)22-15-16(25)24(2)17(21-15)19-5-6-31(26,27)28/h3-4,8-9H,5-7,10H2,1-2H3,(H,26,27,28)(H,19,20,21,22) |
| InChI Key | QPBAQFOATLMCCA-UHFFFAOYSA-N |
| Popularity | 3 references in papers |
| Molecular Formula | C18H20N6O6S |
| Molecular Weight | 448.50 g/mol |
| Exact Mass | 448.11650355 g/mol |
| Topological Polar Surface Area (TPSA) | 156.00 Ų |
| XlogP | 0.30 |
| There are no found synonyms. |
![2D Structure of 2-[[(4Z)-4-[4-(1,3-benzodioxol-5-ylmethyl)-1-methylimidazol-2-yl]imino-1-methyl-5-oxoimidazolidin-2-ylidene]amino]ethanesulfonic acid](https://plantaedb.com/storage/docs/compounds/2023/11/7a002d90-85ce-11ee-8382-335fbfc57854.jpg "2D Structure of 2-[[(4Z)-4-[4-(1,3-benzodioxol-5-ylmethyl)-1-methylimidazol-2-yl]imino-1-methyl-5-oxoimidazolidin-2-ylidene]amino]ethanesulfonic acid")
| 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 |
|---|---|---|---|---|
| CHEMBL4303 | P08238 | Heat shock protein HSP 90-beta | 99.63% | 96.77% |
| CHEMBL2581 | P07339 | Cathepsin D | 99.05% | 98.95% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 98.97% | 85.14% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 97.67% | 96.09% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 96.05% | 94.00% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 95.52% | 95.56% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 95.44% | 94.45% |
| CHEMBL2107 | P61073 | C-X-C chemokine receptor type 4 | 94.20% | 93.10% |
| CHEMBL5697 | Q9GZT9 | Egl nine homolog 1 | 91.37% | 93.40% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 90.95% | 86.33% |
| CHEMBL5845 | P23415 | Glycine receptor subunit alpha-1 | 90.64% | 90.71% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 87.83% | 91.11% |
| CHEMBL4940 | P07195 | L-lactate dehydrogenase B chain | 85.54% | 95.53% |
| CHEMBL3492 | P49721 | Proteasome Macropain subunit | 84.79% | 90.24% |
| CHEMBL2378 | P30307 | Dual specificity phosphatase Cdc25C | 83.73% | 96.67% |
| CHEMBL3976 | Q9UHL4 | Dipeptidyl peptidase II | 82.64% | 92.29% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 82.58% | 94.73% |
| CHEMBL5805 | Q9NR97 | Toll-like receptor 8 | 80.16% | 96.25% |
| CHEMBL1075094 | Q16236 | Nuclear factor erythroid 2-related factor 2 | 80.09% | 96.00% |
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 | 135813132 |
| LOTUS | LTS0132831 |
| wikiData | Q105225279 |