5-[(4-Hydroxyphenyl)methyl]-3-(1-hydroxy-2,4,6-trimethylnon-6-enylidene)pyrrolidine-2,4-dione
| Internal ID | e61a67ad-d246-4224-ae91-1db38170e060 |
| Taxonomy | Benzenoids > Phenols > 1-hydroxy-2-unsubstituted benzenoids |
| IUPAC Name | 5-[(4-hydroxyphenyl)methyl]-3-(1-hydroxy-2,4,6-trimethylnon-6-enylidene)pyrrolidine-2,4-dione |
| SMILES (Canonical) | CCC=C(C)CC(C)CC(C)C(=C1C(=O)C(NC1=O)CC2=CC=C(C=C2)O)O |
| SMILES (Isomeric) | CCC=C(C)CC(C)CC(C)C(=C1C(=O)C(NC1=O)CC2=CC=C(C=C2)O)O |
| InChI | InChI=1S/C23H31NO4/c1-5-6-14(2)11-15(3)12-16(4)21(26)20-22(27)19(24-23(20)28)13-17-7-9-18(25)10-8-17/h6-10,15-16,19,25-26H,5,11-13H2,1-4H3,(H,24,28) |
| InChI Key | KGVANRZKBPUYPV-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C23H31NO4 |
| Molecular Weight | 385.50 g/mol |
| Exact Mass | 385.22530847 g/mol |
| Topological Polar Surface Area (TPSA) | 86.60 Ų |
| XlogP | 5.50 |
| There are no found synonyms. |
![2D Structure of 5-[(4-Hydroxyphenyl)methyl]-3-(1-hydroxy-2,4,6-trimethylnon-6-enylidene)pyrrolidine-2,4-dione](https://plantaedb.com/storage/docs/compounds/2023/11/5-4-hydroxyphenylmethyl-3-1-hydroxy-246-trimethylnon-6-enylidenepyrrolidine-24-dione.jpg "2D Structure of 5-[(4-Hydroxyphenyl)methyl]-3-(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 | 99.37% | 98.95% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 97.32% | 94.45% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 93.56% | 96.09% |
| CHEMBL4040 | P28482 | MAP kinase ERK2 | 93.50% | 83.82% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 92.45% | 91.11% |
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 91.10% | 97.25% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 89.74% | 95.56% |
| CHEMBL5845 | P23415 | Glycine receptor subunit alpha-1 | 88.68% | 90.71% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 85.73% | 94.73% |
| CHEMBL1937 | Q92769 | Histone deacetylase 2 | 85.62% | 94.75% |
| CHEMBL5966 | P55899 | IgG receptor FcRn large subunit p51 | 85.02% | 90.93% |
| CHEMBL2274 | Q9H228 | Sphingosine 1-phosphate receptor Edg-8 | 84.27% | 100.00% |
| CHEMBL1907594 | P30926 | Neuronal acetylcholine receptor; alpha3/beta4 | 83.35% | 97.23% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 82.71% | 86.33% |
| CHEMBL3091268 | Q92753 | Nuclear receptor ROR-beta | 82.23% | 95.50% |
| CHEMBL2288 | Q13526 | Peptidyl-prolyl cis-trans isomerase NIMA-interacting 1 | 81.88% | 91.71% |
| CHEMBL255 | P29275 | Adenosine A2b receptor | 81.79% | 98.59% |
| CHEMBL5103 | Q969S8 | Histone deacetylase 10 | 81.36% | 90.08% |
| CHEMBL3359 | P21462 | Formyl peptide receptor 1 | 80.88% | 93.56% |
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 | 76173504 |
| LOTUS | LTS0080381 |
| wikiData | Q104170273 |