Lipopurealin A
| Internal ID | c6be1001-313d-40c1-adbf-49bc1519013c |
| Taxonomy | Benzenoids > Phenol ethers |
| IUPAC Name | N-[3-[4-[(2Z)-3-[2-(2-amino-1H-imidazol-5-yl)ethylamino]-2-hydroxyimino-3-oxopropyl]-2,6-dibromophenoxy]propyl]tetradecanamide |
| SMILES (Canonical) | |
| SMILES (Isomeric) | |
| InChI | InChI=1S/C31H48Br2N6O4/c1-2-3-4-5-6-7-8-9-10-11-12-14-28(40)35-16-13-18-43-29-25(32)19-23(20-26(29)33)21-27(39-42)30(41)36-17-15-24-22-37-31(34)38-24/h19-20,22,42H,2-18,21H2,1H3,(H,35,40)(H,36,41)(H3,34,37,38)/b39-27- |
| InChI Key | GKUJVGYRWHGSBN-NOACJBATSA-N |
| Popularity | 1 reference in papers |
| Molecular Formula | C31H48Br2N6O4 |
| Molecular Weight | 728.60 g/mol |
| Exact Mass | 728.20833 g/mol |
| Topological Polar Surface Area (TPSA) | 155.00 Ų |
| XlogP | 8.90 |
| There are no found synonyms. |
| 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 |
|---|---|---|---|---|
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 99.17% | 99.17% |
| CHEMBL1293267 | Q9HC97 | G-protein coupled receptor 35 | 98.57% | 89.34% |
| CHEMBL4462 | Q8IXJ6 | NAD-dependent deacetylase sirtuin 2 | 98.53% | 90.24% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 98.53% | 96.09% |
| CHEMBL2581 | P07339 | Cathepsin D | 97.92% | 98.95% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 96.38% | 94.45% |
| CHEMBL325 | Q13547 | Histone deacetylase 1 | 95.52% | 95.92% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 95.30% | 91.11% |
| CHEMBL230 | P35354 | Cyclooxygenase-2 | 95.13% | 89.63% |
| CHEMBL3492 | P49721 | Proteasome Macropain subunit | 94.66% | 90.24% |
| CHEMBL335 | P18031 | Protein-tyrosine phosphatase 1B | 94.28% | 95.17% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 94.24% | 94.73% |
| CHEMBL2535 | P11166 | Glucose transporter | 92.86% | 98.75% |
| CHEMBL5845 | P23415 | Glycine receptor subunit alpha-1 | 92.59% | 90.71% |
| CHEMBL221 | P23219 | Cyclooxygenase-1 | 92.50% | 90.17% |
| CHEMBL2885 | P07451 | Carbonic anhydrase III | 92.46% | 87.45% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 91.04% | 86.33% |
| CHEMBL3976 | Q9UHL4 | Dipeptidyl peptidase II | 90.88% | 92.29% |
| CHEMBL3892 | Q99500 | Sphingosine 1-phosphate receptor Edg-3 | 90.34% | 97.29% |
| CHEMBL1907605 | P24864 | Cyclin-dependent kinase 2/cyclin E1 | 87.27% | 92.88% |
| CHEMBL4657 | Q6V1X1 | Dipeptidyl peptidase VIII | 87.17% | 97.21% |
| CHEMBL2265 | P23141 | Acyl coenzyme A:cholesterol acyltransferase | 86.71% | 85.94% |
| CHEMBL5163 | Q9NY46 | Sodium channel protein type III alpha subunit | 86.63% | 96.90% |
| CHEMBL4208 | P20618 | Proteasome component C5 | 85.42% | 90.00% |
| CHEMBL4769 | O95749 | Geranylgeranyl pyrophosphate synthetase | 85.03% | 92.08% |
| CHEMBL2292 | Q13627 | Dual-specificity tyrosine-phosphorylation regulated kinase 1A | 83.61% | 93.24% |
| CHEMBL4835 | P00338 | L-lactate dehydrogenase A chain | 83.15% | 95.34% |
| CHEMBL3230 | O95977 | Sphingosine 1-phosphate receptor Edg-6 | 82.50% | 94.01% |
| CHEMBL2664 | P23526 | Adenosylhomocysteinase | 82.08% | 86.67% |
| CHEMBL3864 | Q06124 | Protein-tyrosine phosphatase 2C | 81.78% | 94.42% |
| CHEMBL1952 | P04818 | Thymidylate synthase | 81.66% | 93.53% |
| CHEMBL3902 | P09211 | Glutathione S-transferase Pi | 81.33% | 93.81% |
| CHEMBL1781 | P11387 | DNA topoisomerase I | 81.31% | 97.00% |
| CHEMBL1744525 | P43490 | Nicotinamide phosphoribosyltransferase | 80.32% | 96.25% |
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 | 13920214 |
| LOTUS | LTS0047038 |
| wikiData | Q105010317 |