(2R)-6-[(1E,3E)-4-(3-chloro-1H-pyrrol-2-yl)-3-methylbuta-1,3-dienyl]-2,3,3,7-tetramethyl-2H-furo[3,2-c]pyran-4-one
| Internal ID | bcdc3967-a6ad-437d-b98c-9229cdaaa06a |
| Taxonomy | Organoheterocyclic compounds > Pyrans > Pyranones and derivatives |
| IUPAC Name | (2R)-6-[(1E,3E)-4-(3-chloro-1H-pyrrol-2-yl)-3-methylbuta-1,3-dienyl]-2,3,3,7-tetramethyl-2H-furo[3,2-c]pyran-4-one |
| SMILES (Canonical) | |
| SMILES (Isomeric) | |
| InChI | InChI=1S/C20H22ClNO3/c1-11(10-15-14(21)8-9-22-15)6-7-16-12(2)18-17(19(23)25-16)20(4,5)13(3)24-18/h6-10,13,22H,1-5H3/b7-6+,11-10+/t13-/m1/s1 |
| InChI Key | IMYZEZLKASQAKN-ZUSLKBAUSA-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 | 4.70 |
| There are no found synonyms. |
![2D Structure of (2R)-6-[(1E,3E)-4-(3-chloro-1H-pyrrol-2-yl)-3-methylbuta-1,3-dienyl]-2,3,3,7-tetramethyl-2H-furo[3,2-c]pyran-4-one](https://plantaedb.com/storage/docs/compounds/2023/11/09727bf0-87e5-11ee-8c4d-81b6a21ecdb7.jpg "2D Structure of (2R)-6-[(1E,3E)-4-(3-chloro-1H-pyrrol-2-yl)-3-methylbuta-1,3-dienyl]-2,3,3,7-tetramethyl-2H-furo[3,2-c]pyran-4-one")
| 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 |
|---|---|---|---|---|
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 95.59% | 95.56% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 93.64% | 94.45% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 93.49% | 91.11% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 91.97% | 94.73% |
| CHEMBL3192 | Q9BY41 | Histone deacetylase 8 | 91.60% | 93.99% |
| CHEMBL4224 | P49759 | Dual specificty protein kinase CLK1 | 89.62% | 85.30% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 87.27% | 86.33% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 86.85% | 89.00% |
| CHEMBL2335 | P42785 | Lysosomal Pro-X carboxypeptidase | 85.02% | 100.00% |
| CHEMBL2581 | P07339 | Cathepsin D | 83.13% | 98.95% |
| CHEMBL1937 | Q92769 | Histone deacetylase 2 | 82.90% | 94.75% |
| CHEMBL3359 | P21462 | Formyl peptide receptor 1 | 82.42% | 93.56% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 81.79% | 94.00% |
| CHEMBL225 | P28335 | Serotonin 2c (5-HT2c) receptor | 81.49% | 89.62% |
| CHEMBL1907600 | Q00535 | Cyclin-dependent kinase 5/CDK5 activator 1 | 81.21% | 93.03% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 80.96% | 100.00% |
| CHEMBL5852 | Q96P65 | Pyroglutamylated RFamide peptide receptor | 80.57% | 85.00% |
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 | 163185390 |
| LOTUS | LTS0114607 |
| wikiData | Q105116010 |