4-[(7,9-Dibromo-6-hydroxy-8-methoxy-1-oxa-2-azaspiro[4.5]deca-2,7,9-triene-3-carbonyl)amino]butanoic acid
| Internal ID | 0cb69883-1221-46d2-a259-a0b3037f0f57 |
| Taxonomy | Organic acids and derivatives > Carboxylic acids and derivatives > Amino acids, peptides, and analogues > Amino acids and derivatives > Gamma amino acids and derivatives |
| IUPAC Name | 4-[(7,9-dibromo-6-hydroxy-8-methoxy-1-oxa-2-azaspiro[4.5]deca-2,7,9-triene-3-carbonyl)amino]butanoic acid |
| SMILES (Canonical) | |
| SMILES (Isomeric) | |
| InChI | InChI=1S/C14H16Br2N2O6/c1-23-11-7(15)5-14(12(21)10(11)16)6-8(18-24-14)13(22)17-4-2-3-9(19)20/h5,12,21H,2-4,6H2,1H3,(H,17,22)(H,19,20) |
| InChI Key | QIRBPXLEOLCMDX-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C14H16Br2N2O6 |
| Molecular Weight | 468.09 g/mol |
| Exact Mass | 467.93546 g/mol |
| Topological Polar Surface Area (TPSA) | 117.00 Ų |
| XlogP | 0.10 |
| There are no found synonyms. |
![2D Structure of 4-[(7,9-Dibromo-6-hydroxy-8-methoxy-1-oxa-2-azaspiro[4.5]deca-2,7,9-triene-3-carbonyl)amino]butanoic acid](https://plantaedb.com/storage/docs/compounds/2023/11/abb7e7a0-8603-11ee-89a6-71b3f24c4ddd.jpg "2D Structure of 4-[(7,9-Dibromo-6-hydroxy-8-methoxy-1-oxa-2-azaspiro[4.5]deca-2,7,9-triene-3-carbonyl)amino]butanoic 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 |
|---|---|---|---|---|
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 98.61% | 96.09% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 98.44% | 91.11% |
| CHEMBL2581 | P07339 | Cathepsin D | 95.32% | 98.95% |
| CHEMBL221 | P23219 | Cyclooxygenase-1 | 95.10% | 90.17% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 92.02% | 99.17% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 88.05% | 95.56% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 87.92% | 94.45% |
| CHEMBL335 | P18031 | Protein-tyrosine phosphatase 1B | 87.86% | 95.17% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 87.60% | 94.73% |
| CHEMBL4227 | P25090 | Lipoxin A4 receptor | 85.07% | 100.00% |
| CHEMBL5028 | O14672 | ADAM10 | 84.85% | 97.50% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 84.05% | 99.23% |
| CHEMBL5163 | Q9NY46 | Sodium channel protein type III alpha subunit | 81.73% | 96.90% |
| CHEMBL3807 | P17706 | T-cell protein-tyrosine phosphatase | 80.81% | 93.00% |
| CHEMBL2007 | P16234 | Platelet-derived growth factor receptor alpha | 80.60% | 91.07% |
Below are displayed all the plants proven (via scientific papers) to contain this
compound!
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| There are no matching plants. |
| PubChem | 73323949 |
| LOTUS | LTS0195537 |
| wikiData | Q105221729 |