Streptoglutarimide D
| Internal ID | 635510be-38aa-41ea-992a-67e46e6152ef |
| Taxonomy | Organoheterocyclic compounds > Pyridines and derivatives > Hydropyridines > Tetrahydropyridines |
| IUPAC Name | 4-[[(5R)-5-[(2S)-3-hydroxy-2-methylpropyl]-5-methyl-4-oxofuran-2-yl]methyl]piperidine-2,6-dione |
| SMILES (Canonical) | CC(CC1(C(=O)C=C(O1)CC2CC(=O)NC(=O)C2)C)CO |
| SMILES (Isomeric) | C[C@@H](C[C@@]1(C(=O)C=C(O1)CC2CC(=O)NC(=O)C2)C)CO |
| InChI | InChI=1S/C15H21NO5/c1-9(8-17)7-15(2)12(18)6-11(21-15)3-10-4-13(19)16-14(20)5-10/h6,9-10,17H,3-5,7-8H2,1-2H3,(H,16,19,20)/t9-,15+/m0/s1 |
| InChI Key | NRABVDBGEKAWMI-BJOHPYRUSA-N |
| Popularity | 1 reference in papers |
| Molecular Formula | C15H21NO5 |
| Molecular Weight | 295.33 g/mol |
| Exact Mass | 295.14197277 g/mol |
| Topological Polar Surface Area (TPSA) | 92.70 Ų |
| XlogP | 0.00 |
| Atomic LogP (AlogP) | 0.69 |
| H-Bond Acceptor | 5 |
| H-Bond Donor | 2 |
| Rotatable Bonds | 5 |
| 4-(((5R)-5-((2S)-3-hydroxy-2-methylpropyl)-5-methyl-4-oxofuran-2-yl)methyl)piperidine-2,6-dione |
| 4-[[(5R)-5-[(2S)-3-hydroxy-2-methylpropyl]-5-methyl-4-oxofuran-2-yl]methyl]piperidine-2,6-dione |
| RefChem:185919 |
| CHEMBL4534482 |
| CHEBI:225540 |
| 4-[[(5R)-5-[(2S)-3-hydroxy-2-methylpropyl]-5-methyl-4-oxouran-2-yl]methyl]piperidine-2,6-dione |
| Target | Value | Probability (raw) | Probability (%) |
|---|---|---|---|
| Human Intestinal Absorption | + | 0.9350 | 93.50% |
| Caco-2 | - | 0.8247 | 82.47% |
| Blood Brain Barrier | + | 0.7250 | 72.50% |
| Human oral bioavailability | - | 0.6143 | 61.43% |
| Subcellular localzation | Mitochondria | 0.6839 | 68.39% |
| OATP2B1 inhibitior | - | 0.8560 | 85.60% |
| OATP1B1 inhibitior | + | 0.9043 | 90.43% |
| OATP1B3 inhibitior | + | 0.9423 | 94.23% |
| MATE1 inhibitior | - | 0.6612 | 66.12% |
| OCT2 inhibitior | - | 0.9500 | 95.00% |
| BSEP inhibitior | - | 0.5403 | 54.03% |
| P-glycoprotein inhibitior | - | 0.9124 | 91.24% |
| P-glycoprotein substrate | - | 0.6885 | 68.85% |
| CYP3A4 substrate | + | 0.5416 | 54.16% |
| CYP2C9 substrate | - | 0.5915 | 59.15% |
| CYP2D6 substrate | - | 0.8930 | 89.30% |
| CYP3A4 inhibition | - | 0.9587 | 95.87% |
| CYP2C9 inhibition | - | 0.9014 | 90.14% |
| CYP2C19 inhibition | - | 0.9322 | 93.22% |
| CYP2D6 inhibition | - | 0.9422 | 94.22% |
| CYP1A2 inhibition | - | 0.9300 | 93.00% |
| CYP2C8 inhibition | - | 0.8806 | 88.06% |
| CYP inhibitory promiscuity | - | 0.9537 | 95.37% |
| UGT catelyzed | + | 0.6000 | 60.00% |
| Carcinogenicity (binary) | - | 0.8728 | 87.28% |
| Carcinogenicity (trinary) | Non-required | 0.5696 | 56.96% |
| Eye corrosion | - | 0.9898 | 98.98% |
| Eye irritation | - | 0.9778 | 97.78% |
| Skin irritation | - | 0.7289 | 72.89% |
| Skin corrosion | - | 0.9235 | 92.35% |
| Ames mutagenesis | - | 0.7200 | 72.00% |
| Human Ether-a-go-go-Related Gene inhibition | - | 0.7249 | 72.49% |
| Micronuclear | + | 0.6400 | 64.00% |
| Hepatotoxicity | - | 0.6548 | 65.48% |
| skin sensitisation | - | 0.8463 | 84.63% |
| Respiratory toxicity | + | 0.6667 | 66.67% |
| Reproductive toxicity | + | 0.8111 | 81.11% |
| Mitochondrial toxicity | + | 0.8375 | 83.75% |
| Nephrotoxicity | - | 0.5830 | 58.30% |
| Acute Oral Toxicity (c) | III | 0.5012 | 50.12% |
| Estrogen receptor binding | - | 0.7361 | 73.61% |
| Androgen receptor binding | + | 0.6156 | 61.56% |
| Thyroid receptor binding | - | 0.5329 | 53.29% |
| Glucocorticoid receptor binding | + | 0.6079 | 60.79% |
| Aromatase binding | - | 0.5363 | 53.63% |
| PPAR gamma | - | 0.5050 | 50.50% |
| Honey bee toxicity | - | 0.9175 | 91.75% |
| Biodegradation | - | 0.6750 | 67.50% |
| Crustacea aquatic toxicity | - | 0.6500 | 65.00% |
| Fish aquatic toxicity | - | 0.7361 | 73.61% |
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 |
|---|---|---|---|---|
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 97.59% | 94.45% |
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 96.65% | 97.25% |
| CHEMBL2581 | P07339 | Cathepsin D | 96.37% | 98.95% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 95.64% | 96.09% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 95.34% | 91.11% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 88.35% | 95.56% |
| CHEMBL1907605 | P24864 | Cyclin-dependent kinase 2/cyclin E1 | 86.68% | 92.88% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 86.33% | 97.09% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 85.71% | 100.00% |
| CHEMBL3310 | Q96DB2 | Histone deacetylase 11 | 85.08% | 88.56% |
| CHEMBL1937 | Q92769 | Histone deacetylase 2 | 83.09% | 94.75% |
| CHEMBL5845 | P23415 | Glycine receptor subunit alpha-1 | 82.95% | 90.71% |
| CHEMBL5103 | Q969S8 | Histone deacetylase 10 | 81.68% | 90.08% |
| CHEMBL1293267 | Q9HC97 | G-protein coupled receptor 35 | 80.52% | 89.34% |
| CHEMBL4208 | P20618 | Proteasome component C5 | 80.31% | 90.00% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 80.06% | 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 | 145721254 |
| LOTUS | LTS0052902 |
| wikiData | Q105184218 |