(2R,3R)-2-[[2-[4-(3-acetamidopropoxy)phenyl]acetyl]amino]-N-[2-(3,5-dibromo-4-hydroxyphenyl)ethyl]-3-(3,5-dibromo-4-methoxyphenyl)-3-hydroxypropanamide
| Internal ID | 7da77ec8-3249-42c8-83e6-709e43adf06b |
| Taxonomy | Benzenoids > Phenol ethers > Anisoles |
| IUPAC Name | (2R,3R)-2-[[2-[4-(3-acetamidopropoxy)phenyl]acetyl]amino]-N-[2-(3,5-dibromo-4-hydroxyphenyl)ethyl]-3-(3,5-dibromo-4-methoxyphenyl)-3-hydroxypropanamide |
| SMILES (Canonical) | |
| SMILES (Isomeric) | |
| InChI | InChI=1S/C31H33Br4N3O7/c1-17(39)36-9-3-11-45-21-6-4-18(5-7-21)14-26(40)38-27(28(41)20-15-24(34)30(44-2)25(35)16-20)31(43)37-10-8-19-12-22(32)29(42)23(33)13-19/h4-7,12-13,15-16,27-28,41-42H,3,8-11,14H2,1-2H3,(H,36,39)(H,37,43)(H,38,40)/t27-,28-/m1/s1 |
| InChI Key | VLIKAVITCJDQTG-VSGBNLITSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C31H33Br4N3O7 |
| Molecular Weight | 879.20 g/mol |
| Exact Mass | 878.90110 g/mol |
| Topological Polar Surface Area (TPSA) | 146.00 Ų |
| XlogP | 5.30 |
| There are no found synonyms. |
![2D Structure of (2R,3R)-2-[[2-[4-(3-acetamidopropoxy)phenyl]acetyl]amino]-N-[2-(3,5-dibromo-4-hydroxyphenyl)ethyl]-3-(3,5-dibromo-4-methoxyphenyl)-3-hydroxypropanamide](https://plantaedb.com/storage/docs/compounds/2023/11/5e1c2540-860e-11ee-bb32-8560cd60e753.jpg "2D Structure of (2R,3R)-2-[[2-[4-(3-acetamidopropoxy)phenyl]acetyl]amino]-N-[2-(3,5-dibromo-4-hydroxyphenyl)ethyl]-3-(3,5-dibromo-4-methoxyphenyl)-3-hydroxypropanamide")
| 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 |
|---|---|---|---|---|
| CHEMBL2581 | P07339 | Cathepsin D | 99.37% | 98.95% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 99.29% | 91.11% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 98.42% | 99.17% |
| CHEMBL5261 | Q7L7X3 | Serine/threonine-protein kinase TAO1 | 97.67% | 89.33% |
| CHEMBL4208 | P20618 | Proteasome component C5 | 97.16% | 90.00% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 96.16% | 96.09% |
| CHEMBL2535 | P11166 | Glucose transporter | 95.29% | 98.75% |
| CHEMBL5701 | Q9H2K8 | Serine/threonine-protein kinase TAO3 | 94.57% | 96.67% |
| CHEMBL3437 | Q16853 | Amine oxidase, copper containing | 94.51% | 94.00% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 93.14% | 94.45% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 93.05% | 94.00% |
| CHEMBL1075094 | Q16236 | Nuclear factor erythroid 2-related factor 2 | 92.86% | 96.00% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 91.09% | 94.73% |
| CHEMBL4657 | Q6V1X1 | Dipeptidyl peptidase VIII | 90.60% | 97.21% |
| CHEMBL3091268 | Q92753 | Nuclear receptor ROR-beta | 90.19% | 95.50% |
| CHEMBL4835 | P00338 | L-lactate dehydrogenase A chain | 89.42% | 95.34% |
| CHEMBL2563 | Q9UQL6 | Histone deacetylase 5 | 88.80% | 89.67% |
| CHEMBL1860 | P10827 | Thyroid hormone receptor alpha | 87.87% | 99.15% |
| CHEMBL1907605 | P24864 | Cyclin-dependent kinase 2/cyclin E1 | 86.89% | 92.88% |
| CHEMBL3902 | P09211 | Glutathione S-transferase Pi | 85.77% | 93.81% |
| CHEMBL5408 | Q9UHD2 | Serine/threonine-protein kinase TBK1 | 84.81% | 90.48% |
| CHEMBL2179 | P04062 | Beta-glucocerebrosidase | 84.16% | 85.31% |
| CHEMBL5845 | P23415 | Glycine receptor subunit alpha-1 | 84.07% | 90.71% |
| CHEMBL3976 | Q9UHL4 | Dipeptidyl peptidase II | 83.97% | 92.29% |
| CHEMBL1907603 | Q05586 | Glutamate NMDA receptor; GRIN1/GRIN2B | 83.73% | 95.89% |
| CHEMBL3892 | Q99500 | Sphingosine 1-phosphate receptor Edg-3 | 83.22% | 97.29% |
| CHEMBL335 | P18031 | Protein-tyrosine phosphatase 1B | 82.05% | 95.17% |
| CHEMBL211 | P08172 | Muscarinic acetylcholine receptor M2 | 81.47% | 94.97% |
| CHEMBL3807 | P17706 | T-cell protein-tyrosine phosphatase | 81.28% | 93.00% |
| CHEMBL5852 | Q96P65 | Pyroglutamylated RFamide peptide receptor | 80.36% | 85.00% |
Below are displayed all the plants proven (via scientific papers) to contain this
compound!
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| There are no matching plants. |
| PubChem | 163025583 |
| LOTUS | LTS0054948 |
| wikiData | Q105288426 |