5-(1-hydroxyethyl)-3-[hydroxy-(1,3,6-trimethyl-2-prop-1-enyl-4a,5,6,7,8,8a-hexahydro-2H-naphthalen-1-yl)methylidene]pyrrolidine-2,4-dione
| Internal ID | 1cdc7e70-5289-4f29-860b-8573b224cf28 |
| Taxonomy | Organoheterocyclic compounds > Pyrrolines |
| IUPAC Name | 5-(1-hydroxyethyl)-3-[hydroxy-(1,3,6-trimethyl-2-prop-1-enyl-4a,5,6,7,8,8a-hexahydro-2H-naphthalen-1-yl)methylidene]pyrrolidine-2,4-dione |
| SMILES (Canonical) | CC=CC1C(=CC2CC(CCC2C1(C)C(=C3C(=O)C(NC3=O)C(C)O)O)C)C |
| SMILES (Isomeric) | CC=CC1C(=CC2CC(CCC2C1(C)C(=C3C(=O)C(NC3=O)C(C)O)O)C)C |
| InChI | InChI=1S/C23H33NO4/c1-6-7-16-13(3)11-15-10-12(2)8-9-17(15)23(16,5)21(27)18-20(26)19(14(4)25)24-22(18)28/h6-7,11-12,14-17,19,25,27H,8-10H2,1-5H3,(H,24,28) |
| InChI Key | SAVBYHHROQZLEY-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C23H33NO4 |
| Molecular Weight | 387.50 g/mol |
| Exact Mass | 387.24095853 g/mol |
| Topological Polar Surface Area (TPSA) | 86.60 Ų |
| XlogP | 4.30 |
| There are no found synonyms. |
![2D Structure of 5-(1-hydroxyethyl)-3-[hydroxy-(1,3,6-trimethyl-2-prop-1-enyl-4a,5,6,7,8,8a-hexahydro-2H-naphthalen-1-yl)methylidene]pyrrolidine-2,4-dione](https://plantaedb.com/storage/docs/compounds/2023/11/fd6e93a0-8613-11ee-b625-7f71db1c23a0.jpg "2D Structure of 5-(1-hydroxyethyl)-3-[hydroxy-(1,3,6-trimethyl-2-prop-1-enyl-4a,5,6,7,8,8a-hexahydro-2H-naphthalen-1-yl)methylidene]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 | 96.62% | 98.95% |
| CHEMBL221 | P23219 | Cyclooxygenase-1 | 95.87% | 90.17% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 94.76% | 95.56% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 93.22% | 96.09% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 93.18% | 91.11% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 92.10% | 94.45% |
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 91.34% | 97.25% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 89.79% | 97.09% |
| CHEMBL3130 | O00329 | PI3-kinase p110-delta subunit | 89.05% | 96.47% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 88.61% | 85.14% |
| CHEMBL4224 | P49759 | Dual specificty protein kinase CLK1 | 88.37% | 85.30% |
| CHEMBL1937 | Q92769 | Histone deacetylase 2 | 87.24% | 94.75% |
| CHEMBL4072 | P07858 | Cathepsin B | 86.79% | 93.67% |
| CHEMBL1907605 | P24864 | Cyclin-dependent kinase 2/cyclin E1 | 85.49% | 92.88% |
| CHEMBL2553 | Q15418 | Ribosomal protein S6 kinase alpha 1 | 84.74% | 85.11% |
| CHEMBL3359 | P21462 | Formyl peptide receptor 1 | 84.05% | 93.56% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 83.56% | 100.00% |
| CHEMBL1907 | P15144 | Aminopeptidase N | 83.03% | 93.31% |
| CHEMBL216 | P11229 | Muscarinic acetylcholine receptor M1 | 82.55% | 94.23% |
| CHEMBL3351 | Q13085 | Acetyl-CoA carboxylase 1 | 82.12% | 93.04% |
| CHEMBL3492 | P49721 | Proteasome Macropain subunit | 81.85% | 90.24% |
| CHEMBL5845 | P23415 | Glycine receptor subunit alpha-1 | 81.18% | 90.71% |
| CHEMBL3807 | P17706 | T-cell protein-tyrosine phosphatase | 80.80% | 93.00% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 80.56% | 86.33% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 80.36% | 89.00% |
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.
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| There are no matching plants. |
| PubChem | 162927478 |
| LOTUS | LTS0135496 |
| wikiData | Q104197121 |