Streptoglutarimide C
| Internal ID | a33faf0f-3587-449f-b4e0-04f8a2a144ee |
| Taxonomy | Organoheterocyclic compounds > Pyridines and derivatives > Hydropyridines > Tetrahydropyridines |
| IUPAC Name | 4-[3-[(5S)-5-(hydroxymethyl)-3,5-dimethylfuran-2-ylidene]-2-oxopropyl]piperidine-2,6-dione |
| SMILES (Canonical) | CC1=CC(OC1=CC(=O)CC2CC(=O)NC(=O)C2)(C)CO |
| SMILES (Isomeric) | CC1=C[C@@](OC1=CC(=O)CC2CC(=O)NC(=O)C2)(C)CO |
| InChI | InChI=1S/C15H19NO5/c1-9-7-15(2,8-17)21-12(9)6-11(18)3-10-4-13(19)16-14(20)5-10/h6-7,10,17H,3-5,8H2,1-2H3,(H,16,19,20)/t15-/m0/s1 |
| InChI Key | JQZKTXYRILPWGP-HNNXBMFYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C15H19NO5 |
| Molecular Weight | 293.31 g/mol |
| Exact Mass | 293.12632271 g/mol |
| Topological Polar Surface Area (TPSA) | 92.70 Ų |
| XlogP | -1.10 |
| Atomic LogP (AlogP) | 0.61 |
| H-Bond Acceptor | 5 |
| H-Bond Donor | 2 |
| Rotatable Bonds | 4 |
| There are no found synonyms. |
| Target | Value | Probability (raw) | Probability (%) |
|---|---|---|---|
| Human Intestinal Absorption | + | 0.9311 | 93.11% |
| Caco-2 | + | 0.5440 | 54.40% |
| Blood Brain Barrier | + | 0.6750 | 67.50% |
| Human oral bioavailability | - | 0.6143 | 61.43% |
| Subcellular localzation | Mitochondria | 0.6545 | 65.45% |
| OATP2B1 inhibitior | - | 1.0000 | 100.00% |
| OATP1B1 inhibitior | + | 0.8500 | 85.00% |
| OATP1B3 inhibitior | + | 0.9470 | 94.70% |
| MATE1 inhibitior | - | 0.8012 | 80.12% |
| OCT2 inhibitior | - | 0.9500 | 95.00% |
| BSEP inhibitior | - | 0.6003 | 60.03% |
| P-glycoprotein inhibitior | - | 0.9406 | 94.06% |
| P-glycoprotein substrate | - | 0.7382 | 73.82% |
| CYP3A4 substrate | + | 0.5695 | 56.95% |
| CYP2C9 substrate | - | 0.6043 | 60.43% |
| CYP2D6 substrate | - | 0.8815 | 88.15% |
| CYP3A4 inhibition | - | 0.9531 | 95.31% |
| CYP2C9 inhibition | - | 0.8658 | 86.58% |
| CYP2C19 inhibition | - | 0.9041 | 90.41% |
| CYP2D6 inhibition | - | 0.9373 | 93.73% |
| CYP1A2 inhibition | - | 0.9042 | 90.42% |
| CYP2C8 inhibition | - | 0.7578 | 75.78% |
| CYP inhibitory promiscuity | - | 0.9397 | 93.97% |
| UGT catelyzed | - | 0.5638 | 56.38% |
| Carcinogenicity (binary) | - | 0.8628 | 86.28% |
| Carcinogenicity (trinary) | Non-required | 0.5281 | 52.81% |
| Eye corrosion | - | 0.9879 | 98.79% |
| Eye irritation | - | 0.9702 | 97.02% |
| Skin irritation | - | 0.7195 | 71.95% |
| Skin corrosion | - | 0.9161 | 91.61% |
| Ames mutagenesis | - | 0.7200 | 72.00% |
| Human Ether-a-go-go-Related Gene inhibition | - | 0.5909 | 59.09% |
| Micronuclear | + | 0.6200 | 62.00% |
| Hepatotoxicity | - | 0.5320 | 53.20% |
| skin sensitisation | - | 0.8349 | 83.49% |
| Respiratory toxicity | + | 0.5444 | 54.44% |
| Reproductive toxicity | + | 0.7222 | 72.22% |
| Mitochondrial toxicity | + | 0.8625 | 86.25% |
| Nephrotoxicity | - | 0.6061 | 60.61% |
| Acute Oral Toxicity (c) | III | 0.5034 | 50.34% |
| Estrogen receptor binding | - | 0.6802 | 68.02% |
| Androgen receptor binding | - | 0.5615 | 56.15% |
| Thyroid receptor binding | - | 0.6406 | 64.06% |
| Glucocorticoid receptor binding | - | 0.6009 | 60.09% |
| Aromatase binding | - | 0.6981 | 69.81% |
| PPAR gamma | + | 0.7163 | 71.63% |
| Honey bee toxicity | - | 0.9091 | 90.91% |
| Biodegradation | - | 0.8750 | 87.50% |
| Crustacea aquatic toxicity | - | 0.5900 | 59.00% |
| Fish aquatic toxicity | - | 0.7420 | 74.20% |
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 |
|---|---|---|---|---|
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 92.86% | 91.11% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 92.85% | 96.09% |
| CHEMBL2581 | P07339 | Cathepsin D | 90.79% | 98.95% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 90.68% | 95.56% |
| CHEMBL3310 | Q96DB2 | Histone deacetylase 11 | 88.36% | 88.56% |
| CHEMBL325 | Q13547 | Histone deacetylase 1 | 86.44% | 95.92% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 84.81% | 97.09% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 84.25% | 89.00% |
| CHEMBL4481 | P35228 | Nitric oxide synthase, inducible | 84.06% | 94.80% |
| CHEMBL5103 | Q969S8 | Histone deacetylase 10 | 83.65% | 90.08% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 83.58% | 86.33% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 83.07% | 94.45% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 82.91% | 100.00% |
| CHEMBL2553 | Q15418 | Ribosomal protein S6 kinase alpha 1 | 82.74% | 85.11% |
| CHEMBL1937 | Q92769 | Histone deacetylase 2 | 82.59% | 94.75% |
| CHEMBL299 | P17252 | Protein kinase C alpha | 82.36% | 98.03% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 81.23% | 94.73% |
| CHEMBL3392948 | Q9NP59 | Solute carrier family 40 member 1 | 80.99% | 95.00% |
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 | 145721253 |
| LOTUS | LTS0265585 |
| wikiData | Q105133773 |