[4-hydroxy-3-(2-hydroxypropan-2-yl)-2-oxo-3b,4,5,6,8,8a-hexahydro-3H-furo[3,2-a]pyrrolizin-3a-yl]methyl 3-methylbutanoate
| Internal ID | a3b4bc6a-2d01-4931-a169-ab4fbf789350 |
| Taxonomy | Organoheterocyclic compounds > Furopyrroles |
| IUPAC Name | [4-hydroxy-3-(2-hydroxypropan-2-yl)-2-oxo-3b,4,5,6,8,8a-hexahydro-3H-furo[3,2-a]pyrrolizin-3a-yl]methyl 3-methylbutanoate |
| SMILES (Canonical) | CC(C)CC(=O)OCC12C(CN3C1C(CC3)O)OC(=O)C2C(C)(C)O |
| SMILES (Isomeric) | CC(C)CC(=O)OCC12C(CN3C1C(CC3)O)OC(=O)C2C(C)(C)O |
| InChI | InChI=1S/C18H29NO6/c1-10(2)7-13(21)24-9-18-12(8-19-6-5-11(20)15(18)19)25-16(22)14(18)17(3,4)23/h10-12,14-15,20,23H,5-9H2,1-4H3 |
| InChI Key | NDLNMQXZGBXYAM-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C18H29NO6 |
| Molecular Weight | 355.40 g/mol |
| Exact Mass | 355.19948764 g/mol |
| Topological Polar Surface Area (TPSA) | 96.30 Ų |
| XlogP | 1.10 |
| There are no found synonyms. |
![2D Structure of [4-hydroxy-3-(2-hydroxypropan-2-yl)-2-oxo-3b,4,5,6,8,8a-hexahydro-3H-furo[3,2-a]pyrrolizin-3a-yl]methyl 3-methylbutanoate](https://plantaedb.com/storage/docs/compounds/2023/11/598711a0-859a-11ee-b075-dfa91bedae76.jpg "2D Structure of [4-hydroxy-3-(2-hydroxypropan-2-yl)-2-oxo-3b,4,5,6,8,8a-hexahydro-3H-furo[3,2-a]pyrrolizin-3a-yl]methyl 3-methylbutanoate")
| 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 |
|---|---|---|---|---|
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 98.14% | 97.25% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 97.06% | 85.14% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 96.32% | 94.45% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 95.12% | 96.09% |
| CHEMBL2581 | P07339 | Cathepsin D | 94.41% | 98.95% |
| CHEMBL4588 | P22894 | Matrix metalloproteinase 8 | 93.41% | 94.66% |
| CHEMBL3351 | Q13085 | Acetyl-CoA carboxylase 1 | 90.33% | 93.04% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 89.56% | 91.11% |
| CHEMBL3359 | P21462 | Formyl peptide receptor 1 | 87.64% | 93.56% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 87.56% | 95.89% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 85.13% | 97.09% |
| CHEMBL2274 | Q9H228 | Sphingosine 1-phosphate receptor Edg-8 | 84.35% | 100.00% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 84.13% | 89.00% |
| CHEMBL1795139 | Q8IU80 | Transmembrane protease serine 6 | 84.03% | 98.33% |
| CHEMBL3130 | O00329 | PI3-kinase p110-delta subunit | 83.65% | 96.47% |
| CHEMBL3437 | Q16853 | Amine oxidase, copper containing | 83.15% | 94.00% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 83.13% | 95.56% |
| CHEMBL2842 | P42345 | Serine/threonine-protein kinase mTOR | 82.83% | 92.78% |
| CHEMBL5103 | Q969S8 | Histone deacetylase 10 | 81.82% | 90.08% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 81.43% | 99.23% |
| CHEMBL3691 | Q13822 | Autotaxin | 81.24% | 96.39% |
| CHEMBL4051 | P13569 | Cystic fibrosis transmembrane conductance regulator | 81.07% | 95.71% |
| CHEMBL5163 | Q9NY46 | Sodium channel protein type III alpha subunit | 80.20% | 96.90% |
| CHEMBL5028 | O14672 | ADAM10 | 80.14% | 97.50% |
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.
| Senecio caudatus |
| PubChem | 163051956 |
| LOTUS | LTS0105460 |
| wikiData | Q105177615 |