(3Z,5R)-3-[(Z,2S,4S)-1-hydroxy-2,4-dimethyloct-6-enylidene]-5-[(R)-hydroxy-(4-hydroxyphenyl)methyl]pyrrolidine-2,4-dione
| Internal ID | 2997c94a-10db-4785-84e4-eda39e1032a1 |
| Taxonomy | Benzenoids > Phenols > 1-hydroxy-2-unsubstituted benzenoids |
| IUPAC Name | (3Z,5R)-3-[(Z,2S,4S)-1-hydroxy-2,4-dimethyloct-6-enylidene]-5-[(R)-hydroxy-(4-hydroxyphenyl)methyl]pyrrolidine-2,4-dione |
| SMILES (Canonical) | |
| SMILES (Isomeric) | |
| InChI | InChI=1S/C21H27NO5/c1-4-5-6-12(2)11-13(3)18(24)16-20(26)17(22-21(16)27)19(25)14-7-9-15(23)10-8-14/h4-5,7-10,12-13,17,19,23-25H,6,11H2,1-3H3,(H,22,27)/b5-4-,18-16-/t12-,13-,17+,19+/m0/s1 |
| InChI Key | IWIISBMWNKBQQH-OMBQEDPYSA-N |
| Popularity | 2 references in papers |
| Molecular Formula | C21H27NO5 |
| Molecular Weight | 373.40 g/mol |
| Exact Mass | 373.18892296 g/mol |
| Topological Polar Surface Area (TPSA) | 107.00 Ų |
| XlogP | 3.40 |
| There are no found synonyms. |
![2D Structure of (3Z,5R)-3-[(Z,2S,4S)-1-hydroxy-2,4-dimethyloct-6-enylidene]-5-[(R)-hydroxy-(4-hydroxyphenyl)methyl]pyrrolidine-2,4-dione](https://plantaedb.com/storage/docs/compounds/2023/11/fc9d07e0-8547-11ee-a6b4-31339ce37723.jpg "2D Structure of (3Z,5R)-3-[(Z,2S,4S)-1-hydroxy-2,4-dimethyloct-6-enylidene]-5-[(R)-hydroxy-(4-hydroxyphenyl)methyl]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 | 98.77% | 98.95% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 93.98% | 95.56% |
| CHEMBL4040 | P28482 | MAP kinase ERK2 | 93.91% | 83.82% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 92.95% | 96.09% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 92.71% | 91.11% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 91.98% | 94.45% |
| CHEMBL5845 | P23415 | Glycine receptor subunit alpha-1 | 85.94% | 90.71% |
| CHEMBL242 | Q92731 | Estrogen receptor beta | 82.94% | 98.35% |
| CHEMBL216 | P11229 | Muscarinic acetylcholine receptor M1 | 82.45% | 94.23% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 82.40% | 99.17% |
| CHEMBL4208 | P20618 | Proteasome component C5 | 82.21% | 90.00% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 81.38% | 85.14% |
| CHEMBL2035 | P08912 | Muscarinic acetylcholine receptor M5 | 81.07% | 94.62% |
| CHEMBL2345 | P51812 | Ribosomal protein S6 kinase alpha 3 | 80.64% | 95.64% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 80.43% | 94.73% |
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 | 122397575 |
| LOTUS | LTS0085800 |
| wikiData | Q105121654 |