3-(3,4-Dibromo-5-hydroxyphenyl)-3-hydroxy-1-icos-8-enoylpyrrolidin-2-one
| Internal ID | b4fb909e-7192-4059-a6bc-820bb80ed91d |
| Taxonomy | Organoheterocyclic compounds > Pyrrolidines > Phenylpyrrolidines |
| IUPAC Name | 3-(3,4-dibromo-5-hydroxyphenyl)-3-hydroxy-1-icos-8-enoylpyrrolidin-2-one |
| SMILES (Canonical) | |
| SMILES (Isomeric) | |
| InChI | InChI=1S/C30H45Br2NO4/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-27(35)33-21-20-30(37,29(33)36)24-22-25(31)28(32)26(34)23-24/h12-13,22-23,34,37H,2-11,14-21H2,1H3 |
| InChI Key | ZEXIDDZIAVCLOC-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C30H45Br2NO4 |
| Molecular Weight | 643.50 g/mol |
| Exact Mass | 643.16948 g/mol |
| Topological Polar Surface Area (TPSA) | 77.80 Ų |
| XlogP | 10.10 |
| There are no found synonyms. |
| 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 |
|---|---|---|---|---|
| CHEMBL230 | P35354 | Cyclooxygenase-2 | 99.68% | 89.63% |
| CHEMBL2581 | P07339 | Cathepsin D | 99.47% | 98.95% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 97.61% | 96.09% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 97.39% | 91.11% |
| CHEMBL3192 | Q9BY41 | Histone deacetylase 8 | 96.05% | 93.99% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 93.08% | 95.56% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 91.07% | 99.17% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 89.03% | 94.45% |
| CHEMBL4769 | O95749 | Geranylgeranyl pyrophosphate synthetase | 88.22% | 92.08% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 88.18% | 86.33% |
| CHEMBL5845 | P23415 | Glycine receptor subunit alpha-1 | 87.09% | 90.71% |
| CHEMBL4588 | P22894 | Matrix metalloproteinase 8 | 86.97% | 94.66% |
| CHEMBL2781 | P19634 | Sodium/hydrogen exchanger 1 | 86.89% | 90.24% |
| CHEMBL1781 | P11387 | DNA topoisomerase I | 86.70% | 97.00% |
| CHEMBL1937 | Q92769 | Histone deacetylase 2 | 85.44% | 94.75% |
| CHEMBL2069156 | Q14145 | Kelch-like ECH-associated protein 1 | 85.34% | 82.38% |
| CHEMBL5697 | Q9GZT9 | Egl nine homolog 1 | 85.21% | 93.40% |
| CHEMBL5043 | Q6P179 | Endoplasmic reticulum aminopeptidase 2 | 84.95% | 91.81% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 84.66% | 89.00% |
| CHEMBL1907600 | Q00535 | Cyclin-dependent kinase 5/CDK5 activator 1 | 84.15% | 93.03% |
| CHEMBL335 | P18031 | Protein-tyrosine phosphatase 1B | 83.45% | 95.17% |
| CHEMBL4208 | P20618 | Proteasome component C5 | 82.48% | 90.00% |
| CHEMBL233 | P35372 | Mu opioid receptor | 81.24% | 97.93% |
| CHEMBL4227 | P25090 | Lipoxin A4 receptor | 80.75% | 100.00% |
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 | 74052771 |
| LOTUS | LTS0019664 |
| wikiData | Q105373811 |