methyl (1'S,3R,4'aS,5'aS,10'aS)-5,6-dimethoxy-1'-methylspiro[1,2-dihydroindole-3,6'-1,4a,5,5a,7,8,10,10a-octahydropyrano[3,4-f]indolizine]-4'-carboxylate
| Internal ID | 6b1c2906-76cc-412f-b75c-21cbfd7aa9c5 |
| Taxonomy | Organoheterocyclic compounds > Indolizidines |
| IUPAC Name | methyl (1'S,3R,4'aS,5'aS,10'aS)-5,6-dimethoxy-1'-methylspiro[1,2-dihydroindole-3,6'-1,4a,5,5a,7,8,10,10a-octahydropyrano[3,4-f]indolizine]-4'-carboxylate |
| SMILES (Canonical) | |
| SMILES (Isomeric) | |
| InChI | InChI=1S/C23H30N2O5/c1-13-15-10-25-6-5-23(21(25)7-14(15)16(11-30-13)22(26)29-4)12-24-18-9-20(28-3)19(27-2)8-17(18)23/h8-9,11,13-15,21,24H,5-7,10,12H2,1-4H3/t13-,14-,15-,21-,23-/m0/s1 |
| InChI Key | TVGWKEGHPRMQLA-PBIMBJDMSA-N |
| Popularity | 2 references in papers |
| Molecular Formula | C23H30N2O5 |
| Molecular Weight | 414.50 g/mol |
| Exact Mass | 414.21547206 g/mol |
| Topological Polar Surface Area (TPSA) | 69.30 Ų |
| XlogP | 2.70 |
| There are no found synonyms. |
![2D Structure of methyl (1'S,3R,4'aS,5'aS,10'aS)-5,6-dimethoxy-1'-methylspiro[1,2-dihydroindole-3,6'-1,4a,5,5a,7,8,10,10a-octahydropyrano[3,4-f]indolizine]-4'-carboxylate](https://plantaedb.com/storage/docs/compounds/2023/11/7c0b2020-859d-11ee-a139-2ff22e9bfd61.jpg "2D Structure of methyl (1'S,3R,4'aS,5'aS,10'aS)-5,6-dimethoxy-1'-methylspiro[1,2-dihydroindole-3,6'-1,4a,5,5a,7,8,10,10a-octahydropyrano[3,4-f]indolizine]-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 | 99.05% | 96.09% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 96.86% | 85.14% |
| CHEMBL5845 | P23415 | Glycine receptor subunit alpha-1 | 90.25% | 90.71% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 89.74% | 86.33% |
| CHEMBL241 | Q14432 | Phosphodiesterase 3A | 89.34% | 92.94% |
| CHEMBL4478 | Q00975 | Voltage-gated N-type calcium channel alpha-1B subunit | 88.11% | 97.14% |
| CHEMBL340 | P08684 | Cytochrome P450 3A4 | 87.78% | 91.19% |
| CHEMBL5469 | Q14289 | Protein tyrosine kinase 2 beta | 87.58% | 91.03% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 85.82% | 91.11% |
| CHEMBL2007 | P16234 | Platelet-derived growth factor receptor alpha | 85.46% | 91.07% |
| CHEMBL4208 | P20618 | Proteasome component C5 | 84.91% | 90.00% |
| CHEMBL2413 | P32246 | C-C chemokine receptor type 1 | 83.52% | 89.50% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 83.51% | 94.00% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 83.17% | 97.09% |
| CHEMBL3746 | P80365 | 11-beta-hydroxysteroid dehydrogenase 2 | 82.29% | 94.78% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 82.17% | 89.00% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 81.55% | 94.45% |
| CHEMBL218 | P21554 | Cannabinoid CB1 receptor | 80.45% | 96.61% |
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.
| Rauvolfia salicifolia |
| PubChem | 163025519 |
| LOTUS | LTS0177368 |
| wikiData | Q105265290 |