methyl (1S,4aS,5aS,6S,10aS)-5'-hydroxy-1-methyl-2'-oxospiro[1,4a,5,5a,7,8,10,10a-octahydropyrano[3,4-f]indolizine-6,3'-1H-indole]-4-carboxylate
| Internal ID | 8217ce65-68df-48ef-b224-da5258dbd1b4 |
| Taxonomy | Organoheterocyclic compounds > Indolizidines |
| IUPAC Name | methyl (1S,4aS,5aS,6S,10aS)-5'-hydroxy-1-methyl-2'-oxospiro[1,4a,5,5a,7,8,10,10a-octahydropyrano[3,4-f]indolizine-6,3'-1H-indole]-4-carboxylate |
| SMILES (Canonical) | |
| SMILES (Isomeric) | |
| InChI | InChI=1S/C21H24N2O5/c1-11-14-9-23-6-5-21(16-7-12(24)3-4-17(16)22-20(21)26)18(23)8-13(14)15(10-28-11)19(25)27-2/h3-4,7,10-11,13-14,18,24H,5-6,8-9H2,1-2H3,(H,22,26)/t11-,13-,14-,18-,21-/m0/s1 |
| InChI Key | WDOSCDMZYXDQLB-NPJJOBTJSA-N |
| Popularity | 2 references in papers |
| Molecular Formula | C21H24N2O5 |
| Molecular Weight | 384.40 g/mol |
| Exact Mass | 384.16852187 g/mol |
| Topological Polar Surface Area (TPSA) | 88.10 Ų |
| XlogP | 1.30 |
| There are no found synonyms. |
![2D Structure of methyl (1S,4aS,5aS,6S,10aS)-5'-hydroxy-1-methyl-2'-oxospiro[1,4a,5,5a,7,8,10,10a-octahydropyrano[3,4-f]indolizine-6,3'-1H-indole]-4-carboxylate](https://plantaedb.com/storage/docs/compounds/2023/11/e6e0b560-853c-11ee-9aff-6996c0ecd71f.jpg "2D Structure of methyl (1S,4aS,5aS,6S,10aS)-5'-hydroxy-1-methyl-2'-oxospiro[1,4a,5,5a,7,8,10,10a-octahydropyrano[3,4-f]indolizine-6,3'-1H-indole]-4-carboxylate")
| 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 |
|---|---|---|---|---|
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 97.89% | 96.09% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 97.49% | 91.11% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 96.74% | 85.14% |
| CHEMBL5845 | P23415 | Glycine receptor subunit alpha-1 | 95.30% | 90.71% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 94.72% | 94.45% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 93.33% | 86.33% |
| CHEMBL4208 | P20618 | Proteasome component C5 | 90.61% | 90.00% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 87.72% | 97.09% |
| CHEMBL236 | P41143 | Delta opioid receptor | 86.75% | 99.35% |
| CHEMBL2782 | P35610 | Acyl coenzyme A:cholesterol acyltransferase 1 | 85.77% | 91.65% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 84.73% | 99.23% |
| CHEMBL2581 | P07339 | Cathepsin D | 84.56% | 98.95% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 84.05% | 95.56% |
| CHEMBL340 | P08684 | Cytochrome P450 3A4 | 83.58% | 91.19% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 83.48% | 95.89% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 83.47% | 94.00% |
| CHEMBL2073 | P07947 | Tyrosine-protein kinase YES | 83.07% | 83.14% |
| CHEMBL5852 | Q96P65 | Pyroglutamylated RFamide peptide receptor | 82.36% | 85.00% |
| CHEMBL2007 | P16234 | Platelet-derived growth factor receptor alpha | 82.04% | 91.07% |
| CHEMBL3864 | Q06124 | Protein-tyrosine phosphatase 2C | 81.59% | 94.42% |
| CHEMBL1907600 | Q00535 | Cyclin-dependent kinase 5/CDK5 activator 1 | 80.87% | 93.03% |
| CHEMBL241 | Q14432 | Phosphodiesterase 3A | 80.72% | 92.94% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 80.38% | 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.
To see more specific details click the taxa you are interested in.
| Hamelia patens |
| PubChem | 102094751 |
| LOTUS | LTS0167829 |
| wikiData | Q104394619 |