N-[2-[2-[[3-[3-bromo-5-[3-bromo-5-[3-[2-[2-[[3-(3-bromo-4-hydroxyphenyl)-2-hydroxyiminopropanoyl]amino]ethyldisulfanyl]ethylamino]-2-hydroxyimino-3-oxopropyl]-2-hydroxyphenyl]-4-hydroxyphenyl]-2-hydroxyiminopropanoyl]amino]ethyldisulfanyl]ethyl]-3-(3-bromo-4-hydroxyphenyl)-2-hydroxyiminopropanamide
| Internal ID | 1e901ff4-fb7a-470e-9788-2bbf7aac1d8e |
| Taxonomy | Benzenoids > Benzene and substituted derivatives > Biphenyls and derivatives > Brominated biphenyls > Polybrominated biphenyls |
| IUPAC Name | N-[2-[2-[[3-[3-bromo-5-[3-bromo-5-[3-[2-[2-[[3-(3-bromo-4-hydroxyphenyl)-2-hydroxyiminopropanoyl]amino]ethyldisulfanyl]ethylamino]-2-hydroxyimino-3-oxopropyl]-2-hydroxyphenyl]-4-hydroxyphenyl]-2-hydroxyiminopropanoyl]amino]ethyldisulfanyl]ethyl]-3-(3-bromo-4-hydroxyphenyl)-2-hydroxyiminopropanamide |
| SMILES (Canonical) | |
| SMILES (Isomeric) | |
| InChI | InChI=1S/C44H46Br4N8O12S4/c45-29-15-23(1-3-37(29)57)19-33(53-65)41(61)49-5-9-69-71-11-7-51-43(63)35(55-67)21-25-13-27(39(59)31(47)17-25)28-14-26(18-32(48)40(28)60)22-36(56-68)44(64)52-8-12-72-70-10-6-50-42(62)34(54-66)20-24-2-4-38(58)30(46)16-24/h1-4,13-18,57-60,65-68H,5-12,19-22H2,(H,49,61)(H,50,62)(H,51,63)(H,52,64) |
| InChI Key | VVFUCWCIWIOTJW-UHFFFAOYSA-N |
| Popularity | 3 references in papers |
| Molecular Formula | C44H46Br4N8O12S4 |
| Molecular Weight | 1326.80 g/mol |
| Exact Mass | 1325.88106 g/mol |
| Topological Polar Surface Area (TPSA) | 429.00 Ų |
| XlogP | 9.30 |
| There are no found synonyms. |
![2D Structure of N-[2-[2-[[3-[3-bromo-5-[3-bromo-5-[3-[2-[2-[[3-(3-bromo-4-hydroxyphenyl)-2-hydroxyiminopropanoyl]amino]ethyldisulfanyl]ethylamino]-2-hydroxyimino-3-oxopropyl]-2-hydroxyphenyl]-4-hydroxyphenyl]-2-hydroxyiminopropanoyl]amino]ethyldisulfanyl]ethyl]-3-(3-bromo-4-hydroxyphenyl)-2-hydroxyiminopropanamide](https://plantaedb.com/storage/docs/compounds/2023/11/25d09230-864d-11ee-8834-5ff2b2a94394.jpg "2D Structure of N-[2-[2-[[3-[3-bromo-5-[3-bromo-5-[3-[2-[2-[[3-(3-bromo-4-hydroxyphenyl)-2-hydroxyiminopropanoyl]amino]ethyldisulfanyl]ethylamino]-2-hydroxyimino-3-oxopropyl]-2-hydroxyphenyl]-4-hydroxyphenyl]-2-hydroxyiminopropanoyl]amino]ethyldisulfanyl]ethyl]-3-(3-bromo-4-hydroxyphenyl)-2-hydroxyiminopropanamide")
| 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 | 98.46% | 98.95% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 97.54% | 91.11% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 90.85% | 99.17% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 89.85% | 96.09% |
| CHEMBL1907605 | P24864 | Cyclin-dependent kinase 2/cyclin E1 | 89.71% | 92.88% |
| CHEMBL3788 | O00444 | Serine/threonine-protein kinase PLK4 | 88.33% | 83.65% |
| CHEMBL3492 | P49721 | Proteasome Macropain subunit | 88.06% | 90.24% |
| CHEMBL4208 | P20618 | Proteasome component C5 | 87.36% | 90.00% |
| CHEMBL5845 | P23415 | Glycine receptor subunit alpha-1 | 87.19% | 90.71% |
| CHEMBL1293267 | Q9HC97 | G-protein coupled receptor 35 | 87.14% | 89.34% |
| CHEMBL3091268 | Q92753 | Nuclear receptor ROR-beta | 84.00% | 95.50% |
| CHEMBL1860 | P10827 | Thyroid hormone receptor alpha | 83.70% | 99.15% |
| CHEMBL2535 | P11166 | Glucose transporter | 83.27% | 98.75% |
| CHEMBL1907602 | P06493 | Cyclin-dependent kinase 1/cyclin B1 | 82.84% | 91.24% |
| CHEMBL3864 | Q06124 | Protein-tyrosine phosphatase 2C | 81.80% | 94.42% |
| CHEMBL3959 | P16083 | Quinone reductase 2 | 81.28% | 89.49% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 80.93% | 94.00% |
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 | 73811742 |
| LOTUS | LTS0085996 |
| wikiData | Q105297643 |