4-[4-(5-methoxy-2-methyl-5-oxopent-1-enyl)-6,7-dimethyl-1-(2-methylpropyl)-3-oxo-2,4,7,7a-tetrahydro-1H-isoindol-3a-yl]-4-oxobutanoic acid
| Internal ID | 711b0bd1-0a7e-4c52-84cb-08368a6a74c6 |
| Taxonomy | Organoheterocyclic compounds > Isoindoles and derivatives > Isoindolines > Isoindolones |
| IUPAC Name | 4-[4-(5-methoxy-2-methyl-5-oxopent-1-enyl)-6,7-dimethyl-1-(2-methylpropyl)-3-oxo-2,4,7,7a-tetrahydro-1H-isoindol-3a-yl]-4-oxobutanoic acid |
| SMILES (Canonical) | |
| SMILES (Isomeric) | |
| InChI | InChI=1S/C25H37NO6/c1-14(2)11-19-23-17(5)16(4)13-18(12-15(3)7-10-22(30)32-6)25(23,24(31)26-19)20(27)8-9-21(28)29/h12-14,17-19,23H,7-11H2,1-6H3,(H,26,31)(H,28,29) |
| InChI Key | UBYJJKLHALKIBE-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C25H37NO6 |
| Molecular Weight | 447.60 g/mol |
| Exact Mass | 447.26208790 g/mol |
| Topological Polar Surface Area (TPSA) | 110.00 Ų |
| XlogP | 3.00 |
| There are no found synonyms. |
![2D Structure of 4-[4-(5-methoxy-2-methyl-5-oxopent-1-enyl)-6,7-dimethyl-1-(2-methylpropyl)-3-oxo-2,4,7,7a-tetrahydro-1H-isoindol-3a-yl]-4-oxobutanoic acid](https://plantaedb.com/storage/docs/compounds/2023/11/b2059f20-864e-11ee-a627-59b8982b350d.jpg "2D Structure of 4-[4-(5-methoxy-2-methyl-5-oxopent-1-enyl)-6,7-dimethyl-1-(2-methylpropyl)-3-oxo-2,4,7,7a-tetrahydro-1H-isoindol-3a-yl]-4-oxobutanoic acid")
| 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 |
|---|---|---|---|---|
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 98.40% | 85.14% |
| CHEMBL2581 | P07339 | Cathepsin D | 98.08% | 98.95% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 96.57% | 94.45% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 95.66% | 91.11% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 95.12% | 96.09% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 92.61% | 95.56% |
| CHEMBL3130 | O00329 | PI3-kinase p110-delta subunit | 86.63% | 96.47% |
| CHEMBL5845 | P23415 | Glycine receptor subunit alpha-1 | 86.15% | 90.71% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 85.94% | 99.17% |
| CHEMBL221 | P23219 | Cyclooxygenase-1 | 85.92% | 90.17% |
| CHEMBL3437 | Q16853 | Amine oxidase, copper containing | 85.69% | 94.00% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 85.55% | 99.23% |
| CHEMBL340 | P08684 | Cytochrome P450 3A4 | 84.59% | 91.19% |
| CHEMBL4227 | P25090 | Lipoxin A4 receptor | 84.47% | 100.00% |
| CHEMBL5163 | Q9NY46 | Sodium channel protein type III alpha subunit | 84.43% | 96.90% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 84.13% | 86.33% |
| CHEMBL3359 | P21462 | Formyl peptide receptor 1 | 83.73% | 93.56% |
| CHEMBL1293267 | Q9HC97 | G-protein coupled receptor 35 | 82.91% | 89.34% |
| CHEMBL3091268 | Q92753 | Nuclear receptor ROR-beta | 80.90% | 95.50% |
| CHEMBL213 | P08588 | Beta-1 adrenergic receptor | 80.79% | 95.56% |
| CHEMBL2007 | P16234 | Platelet-derived growth factor receptor alpha | 80.65% | 91.07% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 80.20% | 94.73% |
| CHEMBL2964 | P36507 | Dual specificity mitogen-activated protein kinase kinase 2 | 80.10% | 80.00% |
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 | 162814176 |
| LOTUS | LTS0208387 |
| wikiData | Q104198036 |