Streptoglutarimide I
| Internal ID | d07ceb14-9557-44c3-a15e-f96ef45482eb |
| Taxonomy | Organoheterocyclic compounds > Pyridines and derivatives > Hydropyridines > Tetrahydropyridines |
| IUPAC Name | 4-[(2R)-2-hydroxy-2-[(1R,3S,5S)-3-hydroxy-3,5-dimethyl-2-oxocyclohexyl]ethyl]piperidine-2,6-dione |
| SMILES (Canonical) | CC1CC(C(=O)C(C1)(C)O)C(CC2CC(=O)NC(=O)C2)O |
| SMILES (Isomeric) | C[C@H]1C[C@@H](C(=O)[C@@](C1)(C)O)[C@@H](CC2CC(=O)NC(=O)C2)O |
| InChI | InChI=1S/C15H23NO5/c1-8-3-10(14(20)15(2,21)7-8)11(17)4-9-5-12(18)16-13(19)6-9/h8-11,17,21H,3-7H2,1-2H3,(H,16,18,19)/t8-,10+,11+,15-/m0/s1 |
| InChI Key | SUOBVRUNPIKYHC-DOKDZLDGSA-N |
| Popularity | 1 reference in papers |
| Molecular Formula | C15H23NO5 |
| Molecular Weight | 297.35 g/mol |
| Exact Mass | 297.15762283 g/mol |
| Topological Polar Surface Area (TPSA) | 104.00 Ų |
| XlogP | 0.10 |
| Atomic LogP (AlogP) | 0.16 |
| H-Bond Acceptor | 5 |
| H-Bond Donor | 3 |
| Rotatable Bonds | 3 |
| 4-[(2R)-2-hydroxy-2-[(1R,3S,5S)-3-hydroxy-3,5-dimethyl-2-oxocyclohexyl]ethyl]piperidine-2,6-dione |
| 4-((2R)-2-hydroxy-2-((1R,3S,5S)-3-hydroxy-3,5-dimethyl-2-oxocyclohexyl)ethyl)piperidine-2,6-dione |
| RefChem:185924 |
| CHEMBL4455356 |
| CHEBI:225564 |
| Target | Value | Probability (raw) | Probability (%) |
|---|---|---|---|
| Human Intestinal Absorption | + | 0.9085 | 90.85% |
| Caco-2 | - | 0.6812 | 68.12% |
| Blood Brain Barrier | + | 0.6384 | 63.84% |
| Human oral bioavailability | - | 0.5571 | 55.71% |
| Subcellular localzation | Mitochondria | 0.7560 | 75.60% |
| OATP2B1 inhibitior | - | 0.8528 | 85.28% |
| OATP1B1 inhibitior | + | 0.9292 | 92.92% |
| OATP1B3 inhibitior | + | 0.9474 | 94.74% |
| MATE1 inhibitior | - | 0.9800 | 98.00% |
| OCT2 inhibitior | - | 1.0000 | 100.00% |
| BSEP inhibitior | - | 0.9534 | 95.34% |
| P-glycoprotein inhibitior | - | 0.8537 | 85.37% |
| P-glycoprotein substrate | + | 0.5314 | 53.14% |
| CYP3A4 substrate | + | 0.5406 | 54.06% |
| CYP2C9 substrate | - | 0.6091 | 60.91% |
| CYP2D6 substrate | - | 0.8459 | 84.59% |
| CYP3A4 inhibition | - | 0.9654 | 96.54% |
| CYP2C9 inhibition | - | 0.9263 | 92.63% |
| CYP2C19 inhibition | - | 0.9310 | 93.10% |
| CYP2D6 inhibition | - | 0.9341 | 93.41% |
| CYP1A2 inhibition | - | 0.9482 | 94.82% |
| CYP2C8 inhibition | - | 0.9447 | 94.47% |
| CYP inhibitory promiscuity | - | 0.9661 | 96.61% |
| UGT catelyzed | + | 0.7000 | 70.00% |
| Carcinogenicity (binary) | - | 0.8600 | 86.00% |
| Carcinogenicity (trinary) | Non-required | 0.6013 | 60.13% |
| Eye corrosion | - | 0.9922 | 99.22% |
| Eye irritation | - | 0.9772 | 97.72% |
| Skin irritation | - | 0.5764 | 57.64% |
| Skin corrosion | - | 0.9286 | 92.86% |
| Ames mutagenesis | - | 0.8500 | 85.00% |
| Human Ether-a-go-go-Related Gene inhibition | - | 0.6513 | 65.13% |
| Micronuclear | + | 0.7200 | 72.00% |
| Hepatotoxicity | + | 0.5660 | 56.60% |
| skin sensitisation | - | 0.8983 | 89.83% |
| Respiratory toxicity | + | 0.7000 | 70.00% |
| Reproductive toxicity | + | 0.9111 | 91.11% |
| Mitochondrial toxicity | + | 0.8125 | 81.25% |
| Nephrotoxicity | - | 0.5975 | 59.75% |
| Acute Oral Toxicity (c) | I | 0.7768 | 77.68% |
| Estrogen receptor binding | + | 0.7955 | 79.55% |
| Androgen receptor binding | + | 0.6470 | 64.70% |
| Thyroid receptor binding | + | 0.7694 | 76.94% |
| Glucocorticoid receptor binding | + | 0.5512 | 55.12% |
| Aromatase binding | - | 0.6663 | 66.63% |
| PPAR gamma | + | 0.6591 | 65.91% |
| Honey bee toxicity | - | 0.7993 | 79.93% |
| Biodegradation | - | 0.7000 | 70.00% |
| Crustacea aquatic toxicity | - | 0.6300 | 63.00% |
| Fish aquatic toxicity | - | 0.5698 | 56.98% |
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 |
|---|---|---|---|---|
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 98.01% | 97.25% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 97.88% | 85.14% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 97.31% | 96.09% |
| CHEMBL2581 | P07339 | Cathepsin D | 94.79% | 98.95% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 93.08% | 91.11% |
| CHEMBL299 | P17252 | Protein kinase C alpha | 90.44% | 98.03% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 90.41% | 97.09% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 87.83% | 94.45% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 86.37% | 100.00% |
| CHEMBL5103 | Q969S8 | Histone deacetylase 10 | 83.05% | 90.08% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 82.31% | 95.56% |
| CHEMBL255 | P29275 | Adenosine A2b receptor | 82.23% | 98.59% |
| CHEMBL4026 | P40763 | Signal transducer and activator of transcription 3 | 80.96% | 82.69% |
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 | 145721259 |
| LOTUS | LTS0057479 |
| wikiData | Q105261179 |