(2R)-4-methyl-2-[(2R)-1-[4-[(2R,4R)-4-methyl-5-oxooxolan-2-yl]butyl]pyrrolidin-2-yl]-2H-furan-5-one
| Internal ID | cbb39f1b-b411-416a-8db8-5aa2a07bd1fe |
| Taxonomy | Organoheterocyclic compounds > Lactones > Gamma butyrolactones |
| IUPAC Name | (2R)-4-methyl-2-[(2R)-1-[4-[(2R,4R)-4-methyl-5-oxooxolan-2-yl]butyl]pyrrolidin-2-yl]-2H-furan-5-one |
| SMILES (Canonical) | |
| SMILES (Isomeric) | |
| InChI | InChI=1S/C18H27NO4/c1-12-10-14(22-17(12)20)6-3-4-8-19-9-5-7-15(19)16-11-13(2)18(21)23-16/h11-12,14-16H,3-10H2,1-2H3/t12-,14-,15-,16-/m1/s1 |
| InChI Key | JLFBHOJKNSFNNB-DTZQCDIJSA-N |
| Popularity | 3 references in papers |
| Molecular Formula | C18H27NO4 |
| Molecular Weight | 321.40 g/mol |
| Exact Mass | 321.19400834 g/mol |
| Topological Polar Surface Area (TPSA) | 55.80 Ų |
| XlogP | 2.90 |
| CHEMBL1215882 |
![2D Structure of (2R)-4-methyl-2-[(2R)-1-[4-[(2R,4R)-4-methyl-5-oxooxolan-2-yl]butyl]pyrrolidin-2-yl]-2H-furan-5-one](https://plantaedb.com/storage/docs/compounds/2023/11/dubiusamine-b.jpg "2D Structure of (2R)-4-methyl-2-[(2R)-1-[4-[(2R,4R)-4-methyl-5-oxooxolan-2-yl]butyl]pyrrolidin-2-yl]-2H-furan-5-one")
| 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 | 94.77% | 98.95% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 94.77% | 95.56% |
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 94.44% | 97.25% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 90.87% | 96.09% |
| CHEMBL5103 | Q969S8 | Histone deacetylase 10 | 90.64% | 90.08% |
| CHEMBL2069156 | Q14145 | Kelch-like ECH-associated protein 1 | 90.42% | 82.38% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 88.51% | 97.09% |
| CHEMBL230 | P35354 | Cyclooxygenase-2 | 88.44% | 89.63% |
| CHEMBL1978 | P11511 | Cytochrome P450 19A1 | 87.88% | 91.76% |
| CHEMBL4803 | P29474 | Nitric-oxide synthase, endothelial | 86.26% | 86.00% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 85.07% | 86.33% |
| CHEMBL5697 | Q9GZT9 | Egl nine homolog 1 | 84.61% | 93.40% |
| CHEMBL5805 | Q9NR97 | Toll-like receptor 8 | 83.05% | 96.25% |
| CHEMBL5966 | P55899 | IgG receptor FcRn large subunit p51 | 83.01% | 90.93% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 82.39% | 95.89% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 81.18% | 89.00% |
| CHEMBL5203 | P33316 | dUTP pyrophosphatase | 80.78% | 99.18% |
| CHEMBL1795139 | Q8IU80 | Transmembrane protease serine 6 | 80.57% | 98.33% |
| CHEMBL217 | P14416 | Dopamine D2 receptor | 80.26% | 95.62% |
| CHEMBL2073 | P07947 | Tyrosine-protein kinase YES | 80.03% | 83.14% |
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.
| Pandanus dubius |
| PubChem | 46217346 |
| LOTUS | LTS0158863 |
| wikiData | Q105130678 |