(2Z)-3-(3-bromo-4-hydroxy-phenyl)-N-[2-[2-[[(2Z)-3-(3-bromo-4-hydroxy-phenyl)-2-hydroxyimino-propanoyl]amino]ethyldisulfanyl]ethyl]-2-hydroxyimino-propanamide
| Internal ID | 3998f2a2-281e-49f9-ac35-360241791078 |
| Taxonomy | Benzenoids > Phenols > Halophenols > Bromophenols > O-bromophenols |
| IUPAC Name | (2Z)-3-(3-bromo-4-hydroxyphenyl)-N-[2-[2-[[(2Z)-3-(3-bromo-4-hydroxyphenyl)-2-hydroxyiminopropanoyl]amino]ethyldisulfanyl]ethyl]-2-hydroxyiminopropanamide |
| SMILES (Canonical) | |
| SMILES (Isomeric) | |
| InChI | InChI=1S/C22H24Br2N4O6S2/c23-15-9-13(1-3-19(15)29)11-17(27-33)21(31)25-5-7-35-36-8-6-26-22(32)18(28-34)12-14-2-4-20(30)16(24)10-14/h1-4,9-10,29-30,33-34H,5-8,11-12H2,(H,25,31)(H,26,32)/b27-17-,28-18- |
| InChI Key | LMAFSGDNHVBIHU-HJTNQMAYSA-N |
| Popularity | 2 references in papers |
| Molecular Formula | C22H24Br2N4O6S2 |
| Molecular Weight | 664.40 g/mol |
| Exact Mass | 663.94835 g/mol |
| Topological Polar Surface Area (TPSA) | 214.00 Ų |
| XlogP | 4.80 |
| (E,E)-Psammaplin A; Bisprasin;UVI 5000 |
| MLS005951917 |
| SCHEMBL12521616 |
| SMR004624572 |
| (2Z)-3-(3-bromo-4-hydroxy-phenyl)-N-[2-[2-[[(2Z)-3-(3-bromo-4-hydroxy-phenyl)-2-hydroxyimino-propanoyl]amino]ethyldisulfanyl]ethyl]-2-hydroxyimino-propanamide |
| 3-(3-Bromo-4-hydroxyphenyl)-N-(2-((2-((3-(3-bromo-4-hydroxyphenyl)-2-(hydroxyimino)propanoyl)amino)ethyl)dithio)ethyl)-2-(hydroxyimino)propanamide |
![2D Structure of (2Z)-3-(3-bromo-4-hydroxy-phenyl)-N-[2-[2-[[(2Z)-3-(3-bromo-4-hydroxy-phenyl)-2-hydroxyimino-propanoyl]amino]ethyldisulfanyl]ethyl]-2-hydroxyimino-propanamide](https://plantaedb.com/storage/docs/compounds/2023/11/c42485a0-8434-11ee-b914-7b43f1bb5585.jpg "2D Structure of (2Z)-3-(3-bromo-4-hydroxy-phenyl)-N-[2-[2-[[(2Z)-3-(3-bromo-4-hydroxy-phenyl)-2-hydroxyimino-propanoyl]amino]ethyldisulfanyl]ethyl]-2-hydroxyimino-propanamide")
| Target | Value | Probability (raw) | Probability (%) |
|---|---|---|---|
| No predicted properties yet! | |||
Proven Targets:
| CHEMBL ID | UniProt ID | Name | Min activity | Assay type | Source |
|---|---|---|---|---|---|
| CHEMBL325 | Q13547 | Histone deacetylase 1 |
45 nM |
IC50 |
via Super-PRED
|
Predicted Targets (via Super-PRED):
| CHEMBL ID | UniProt ID | Name | Probability | Model accuracy |
|---|---|---|---|---|
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 97.36% | 91.11% |
| CHEMBL2581 | P07339 | Cathepsin D | 96.01% | 98.95% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 90.00% | 99.17% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 89.07% | 96.09% |
| CHEMBL3959 | P16083 | Quinone reductase 2 | 87.23% | 89.49% |
| CHEMBL4208 | P20618 | Proteasome component C5 | 87.07% | 90.00% |
| CHEMBL5845 | P23415 | Glycine receptor subunit alpha-1 | 85.20% | 90.71% |
| CHEMBL1907605 | P24864 | Cyclin-dependent kinase 2/cyclin E1 | 84.83% | 92.88% |
| CHEMBL3492 | P49721 | Proteasome Macropain subunit | 84.17% | 90.24% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 83.75% | 94.45% |
| CHEMBL2535 | P11166 | Glucose transporter | 83.61% | 98.75% |
| CHEMBL1907602 | P06493 | Cyclin-dependent kinase 1/cyclin B1 | 80.78% | 91.24% |
| CHEMBL3091268 | Q92753 | Nuclear receptor ROR-beta | 80.12% | 95.50% |
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 | 6399893 |
| LOTUS | LTS0081177 |
| wikiData | Q76324818 |