Malbranpyrrole E
| Internal ID | d1562bf7-e970-44a1-b8c2-bc9441298f47 |
| Taxonomy | Organoheterocyclic compounds > Pyrans > Pyranones and derivatives |
| IUPAC Name | 6-[(2E,4E)-5-(3-chloro-1H-pyrrol-2-yl)penta-2,4-dien-2-yl]-4-methoxy-3-(2-methylbut-3-en-2-yl)pyran-2-one |
| SMILES (Canonical) | |
| SMILES (Isomeric) | |
| InChI | InChI=1S/C20H22ClNO3/c1-6-20(3,4)18-17(24-5)12-16(25-19(18)23)13(2)8-7-9-15-14(21)10-11-22-15/h6-12,22H,1H2,2-5H3/b9-7+,13-8+ |
| InChI Key | KMCWFIGQAAUEOM-AVPQAVFTSA-N |
| Popularity | 2 references in papers |
| Molecular Formula | C20H22ClNO3 |
| Molecular Weight | 359.80 g/mol |
| Exact Mass | 359.1288213 g/mol |
| Topological Polar Surface Area (TPSA) | 51.30 Ų |
| XlogP | 5.40 |
| 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 |
|---|---|---|---|---|
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 97.09% | 91.11% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 96.63% | 94.45% |
| CHEMBL2581 | P07339 | Cathepsin D | 95.40% | 98.95% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 94.48% | 86.33% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 92.45% | 94.73% |
| CHEMBL1293267 | Q9HC97 | G-protein coupled receptor 35 | 92.22% | 89.34% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 92.07% | 95.56% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 89.94% | 94.00% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 87.25% | 95.89% |
| CHEMBL3976 | Q9UHL4 | Dipeptidyl peptidase II | 86.73% | 92.29% |
| CHEMBL2335 | P42785 | Lysosomal Pro-X carboxypeptidase | 84.72% | 100.00% |
| CHEMBL225 | P28335 | Serotonin 2c (5-HT2c) receptor | 83.58% | 89.62% |
| CHEMBL4478 | Q00975 | Voltage-gated N-type calcium channel alpha-1B subunit | 83.23% | 97.14% |
| CHEMBL5957 | P21589 | 5'-nucleotidase | 82.86% | 97.78% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 82.07% | 99.17% |
| CHEMBL3091268 | Q92753 | Nuclear receptor ROR-beta | 81.45% | 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 | 44597918 |
| LOTUS | LTS0096017 |
| wikiData | Q77484093 |