methyl N-[2-[2-[[3-(3-bromo-4-hydroxyphenyl)-2-hydroxyiminopropanoyl]amino]ethyldisulfanyl]ethyl]carbamate
| Internal ID | babc3216-7e5a-41f8-8d55-7dd2733261c5 |
| Taxonomy | Benzenoids > Phenols > Halophenols > Bromophenols > O-bromophenols |
| IUPAC Name | methyl N-[2-[2-[[3-(3-bromo-4-hydroxyphenyl)-2-hydroxyiminopropanoyl]amino]ethyldisulfanyl]ethyl]carbamate |
| SMILES (Canonical) | COC(=O)NCCSSCCNC(=O)C(=NO)CC1=CC(=C(C=C1)O)Br |
| SMILES (Isomeric) | COC(=O)NCCSSCCNC(=O)C(=NO)CC1=CC(=C(C=C1)O)Br |
| InChI | InChI=1S/C15H20BrN3O5S2/c1-24-15(22)18-5-7-26-25-6-4-17-14(21)12(19-23)9-10-2-3-13(20)11(16)8-10/h2-3,8,20,23H,4-7,9H2,1H3,(H,17,21)(H,18,22) |
| InChI Key | QBAGBBYBQAYFBT-UHFFFAOYSA-N |
| Popularity | 2 references in papers |
| Molecular Formula | C15H20BrN3O5S2 |
| Molecular Weight | 466.40 g/mol |
| Exact Mass | 465.00278 g/mol |
| Topological Polar Surface Area (TPSA) | 171.00 Ų |
| XlogP | 2.60 |
| There are no found synonyms. |
![2D Structure of methyl N-[2-[2-[[3-(3-bromo-4-hydroxyphenyl)-2-hydroxyiminopropanoyl]amino]ethyldisulfanyl]ethyl]carbamate](https://plantaedb.com/storage/docs/compounds/2023/11/1b770b20-8720-11ee-91a8-c9aabe290bbf.jpg "2D Structure of methyl N-[2-[2-[[3-(3-bromo-4-hydroxyphenyl)-2-hydroxyiminopropanoyl]amino]ethyldisulfanyl]ethyl]carbamate")
| 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 | 97.81% | 98.95% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 97.78% | 91.11% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 95.72% | 96.09% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 92.83% | 99.17% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 90.89% | 94.45% |
| CHEMBL4208 | P20618 | Proteasome component C5 | 89.71% | 90.00% |
| CHEMBL3492 | P49721 | Proteasome Macropain subunit | 86.84% | 90.24% |
| CHEMBL1907605 | P24864 | Cyclin-dependent kinase 2/cyclin E1 | 86.32% | 92.88% |
| CHEMBL2535 | P11166 | Glucose transporter | 86.32% | 98.75% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 83.97% | 94.00% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 82.70% | 86.33% |
| CHEMBL5845 | P23415 | Glycine receptor subunit alpha-1 | 82.58% | 90.71% |
| CHEMBL3091268 | Q92753 | Nuclear receptor ROR-beta | 82.56% | 95.50% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 82.14% | 95.56% |
| CHEMBL3959 | P16083 | Quinone reductase 2 | 82.12% | 89.49% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 81.32% | 94.73% |
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 | 73805232 |
| LOTUS | LTS0034837 |
| wikiData | Q105217702 |