Aerophobin 2
| Internal ID | f67dfa20-26eb-4329-92e7-1e08c9259e33 |
| Taxonomy | Organoheterocyclic compounds > Azoles > Imidazoles > Substituted imidazoles > Aminoimidazoles |
| IUPAC Name | (5S,6R)-N-[3-(2-amino-1H-imidazol-5-yl)propyl]-7,9-dibromo-6-hydroxy-8-methoxy-1-oxa-2-azaspiro[4.5]deca-2,7,9-triene-3-carboxamide |
| SMILES (Canonical) | |
| SMILES (Isomeric) | |
| InChI | InChI=1S/C16H19Br2N5O4/c1-26-12-9(17)5-16(13(24)11(12)18)6-10(23-27-16)14(25)20-4-2-3-8-7-21-15(19)22-8/h5,7,13,24H,2-4,6H2,1H3,(H,20,25)(H3,19,21,22)/t13-,16+/m0/s1 |
| InChI Key | ZSZRBAQVYFYMTR-XJKSGUPXSA-N |
| Popularity | 8 references in papers |
| Molecular Formula | C16H19Br2N5O4 |
| Molecular Weight | 505.20 g/mol |
| Exact Mass | 504.97833 g/mol |
| Topological Polar Surface Area (TPSA) | 135.00 Ų |
| XlogP | 0.40 |
| 87075-23-8 |
| CHEBI:80953 |
| 1-Oxa-2-azaspiro(4.5)deca-2,6,8-triene-3-carboxamide, N-(3-(2-amino-1H-imidazol-4-yl)propyl)-7,9-dibromo-10-hydroxy-8-methoxy-, (5S,10R)- |
| CHEMBL518701 |
| DTXSID30236113 |
| AKOS040750156 |
| C17163 |
| Q27154924 |
| (5S,6R)-N-[3-(2-amino-1H-imidazol-5-yl)propyl]-7,9-dibromo-6-hydroxy-8-methoxy-1-oxa-2-azaspiro[4.5]deca-2,7,9-triene-3-carboxamide |
| 1-Oxa-2-azaspiro(4.5)deca-2,6,8-triene-3-carboxamide, N-(3-(2-amino-1H-imidazol-4-yl)propyl)-7,9-dibromo-10-hydroxy-8-methoxy-, trans-(+)- |
| 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 | 99.48% | 96.09% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 98.99% | 91.11% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 97.10% | 94.45% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 93.62% | 94.73% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 92.78% | 99.17% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 91.93% | 94.00% |
| CHEMBL1937 | Q92769 | Histone deacetylase 2 | 90.04% | 94.75% |
| CHEMBL221 | P23219 | Cyclooxygenase-1 | 89.00% | 90.17% |
| CHEMBL2563 | Q9UQL6 | Histone deacetylase 5 | 88.31% | 89.67% |
| CHEMBL2007 | P16234 | Platelet-derived growth factor receptor alpha | 88.01% | 91.07% |
| CHEMBL335 | P18031 | Protein-tyrosine phosphatase 1B | 87.98% | 95.17% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 87.98% | 95.56% |
| CHEMBL2581 | P07339 | Cathepsin D | 87.61% | 98.95% |
| CHEMBL2243 | O00519 | Anandamide amidohydrolase | 87.18% | 97.53% |
| CHEMBL2535 | P11166 | Glucose transporter | 87.18% | 98.75% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 86.55% | 86.33% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 85.44% | 97.09% |
| CHEMBL4145 | Q9UKV0 | Histone deacetylase 9 | 84.16% | 85.49% |
| CHEMBL4227 | P25090 | Lipoxin A4 receptor | 83.98% | 100.00% |
| CHEMBL4208 | P20618 | Proteasome component C5 | 83.77% | 90.00% |
| CHEMBL226 | P30542 | Adenosine A1 receptor | 83.63% | 95.93% |
| CHEMBL4793 | Q86TI2 | Dipeptidyl peptidase IX | 83.47% | 96.95% |
| CHEMBL4657 | Q6V1X1 | Dipeptidyl peptidase VIII | 83.42% | 97.21% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 82.34% | 95.89% |
| CHEMBL5028 | O14672 | ADAM10 | 81.92% | 97.50% |
| CHEMBL1907603 | Q05586 | Glutamate NMDA receptor; GRIN1/GRIN2B | 81.65% | 95.89% |
| CHEMBL279 | P35968 | Vascular endothelial growth factor receptor 2 | 81.06% | 95.52% |
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.
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| There are no matching plants. |
| PubChem | 159038 |
| LOTUS | LTS0079235 |
| wikiData | Q27154924 |