(3Z,5S)-5-[(S)-hydroxy-(4-hydroxyphenyl)methyl]-3-[(E,2S,4R)-1-hydroxy-2,4,6-trimethylnon-6-enylidene]pyrrolidine-2,4-dione
| Internal ID | 632d472a-6df1-413e-8c99-a4e375aea0bb |
| Taxonomy | Benzenoids > Phenols > 1-hydroxy-2-unsubstituted benzenoids |
| IUPAC Name | (3Z,5S)-5-[(S)-hydroxy-(4-hydroxyphenyl)methyl]-3-[(E,2S,4R)-1-hydroxy-2,4,6-trimethylnon-6-enylidene]pyrrolidine-2,4-dione |
| SMILES (Canonical) | |
| SMILES (Isomeric) | |
| InChI | InChI=1S/C23H31NO5/c1-5-6-13(2)11-14(3)12-15(4)20(26)18-22(28)19(24-23(18)29)21(27)16-7-9-17(25)10-8-16/h6-10,14-15,19,21,25-27H,5,11-12H2,1-4H3,(H,24,29)/b13-6+,20-18-/t14-,15-,19-,21-/m0/s1 |
| InChI Key | CRZCNQJDEBVYEU-DUQOIEBXSA-N |
| Popularity | 3 references in papers |
| Molecular Formula | C23H31NO5 |
| Molecular Weight | 401.50 g/mol |
| Exact Mass | 401.22022309 g/mol |
| Topological Polar Surface Area (TPSA) | 107.00 Ų |
| XlogP | 4.40 |
| There are no found synonyms. |
![2D Structure of (3Z,5S)-5-[(S)-hydroxy-(4-hydroxyphenyl)methyl]-3-[(E,2S,4R)-1-hydroxy-2,4,6-trimethylnon-6-enylidene]pyrrolidine-2,4-dione](https://plantaedb.com/storage/docs/compounds/2023/11/d1cfdd30-862e-11ee-aef6-8b4fec8f91a8.jpg "2D Structure of (3Z,5S)-5-[(S)-hydroxy-(4-hydroxyphenyl)methyl]-3-[(E,2S,4R)-1-hydroxy-2,4,6-trimethylnon-6-enylidene]pyrrolidine-2,4-dione")
| 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 | 99.24% | 98.95% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 96.32% | 91.11% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 93.95% | 94.45% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 93.59% | 96.09% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 90.73% | 95.56% |
| CHEMBL5845 | P23415 | Glycine receptor subunit alpha-1 | 89.65% | 90.71% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 87.81% | 94.73% |
| CHEMBL3830 | Q2M2I8 | Adaptor-associated kinase | 86.78% | 83.10% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 86.48% | 85.14% |
| CHEMBL3359 | P21462 | Formyl peptide receptor 1 | 86.22% | 93.56% |
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 84.04% | 97.25% |
| CHEMBL221 | P23219 | Cyclooxygenase-1 | 83.88% | 90.17% |
| CHEMBL2345 | P51812 | Ribosomal protein S6 kinase alpha 3 | 83.48% | 95.64% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 83.18% | 86.33% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 81.89% | 89.00% |
| CHEMBL1937 | Q92769 | Histone deacetylase 2 | 81.72% | 94.75% |
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.
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| There are no matching plants. |
| PubChem | 135737865 |
| LOTUS | LTS0082771 |
| wikiData | Q104969009 |