methyl 5',6'-dimethoxy-1-methyl-3'-oxospiro[1,4a,5,5a,7,8,10,10a-octahydropyrano[3,4-f]indolizine-6,2'-1H-indole]-4-carboxylate
| Internal ID | a0456ae9-5df4-41f2-9883-bf74689f6bf1 |
| Taxonomy | Organoheterocyclic compounds > Indolizidines |
| IUPAC Name | methyl 5',6'-dimethoxy-1-methyl-3'-oxospiro[1,4a,5,5a,7,8,10,10a-octahydropyrano[3,4-f]indolizine-6,2'-1H-indole]-4-carboxylate |
| SMILES (Canonical) | CC1C2CN3CCC4(C3CC2C(=CO1)C(=O)OC)C(=O)C5=CC(=C(C=C5N4)OC)OC |
| SMILES (Isomeric) | CC1C2CN3CCC4(C3CC2C(=CO1)C(=O)OC)C(=O)C5=CC(=C(C=C5N4)OC)OC |
| InChI | InChI=1S/C23H28N2O6/c1-12-15-10-25-6-5-23(20(25)8-13(15)16(11-31-12)22(27)30-4)21(26)14-7-18(28-2)19(29-3)9-17(14)24-23/h7,9,11-13,15,20,24H,5-6,8,10H2,1-4H3 |
| InChI Key | BSQCYJALKUSFFD-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C23H28N2O6 |
| Molecular Weight | 428.50 g/mol |
| Exact Mass | 428.19473662 g/mol |
| Topological Polar Surface Area (TPSA) | 86.30 Ų |
| XlogP | 2.30 |
| There are no found synonyms. |
![2D Structure of methyl 5',6'-dimethoxy-1-methyl-3'-oxospiro[1,4a,5,5a,7,8,10,10a-octahydropyrano[3,4-f]indolizine-6,2'-1H-indole]-4-carboxylate](https://plantaedb.com/storage/docs/compounds/2023/11/7c32aab0-872f-11ee-a001-d73af862ff33.jpg "2D Structure of methyl 5',6'-dimethoxy-1-methyl-3'-oxospiro[1,4a,5,5a,7,8,10,10a-octahydropyrano[3,4-f]indolizine-6,2'-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 | 99.09% | 96.09% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 95.32% | 85.14% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 94.03% | 97.09% |
| CHEMBL241 | Q14432 | Phosphodiesterase 3A | 93.05% | 92.94% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 92.96% | 91.11% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 92.76% | 86.33% |
| CHEMBL5845 | P23415 | Glycine receptor subunit alpha-1 | 92.44% | 90.71% |
| CHEMBL3864 | Q06124 | Protein-tyrosine phosphatase 2C | 89.59% | 94.42% |
| CHEMBL340 | P08684 | Cytochrome P450 3A4 | 88.17% | 91.19% |
| CHEMBL2007 | P16234 | Platelet-derived growth factor receptor alpha | 88.07% | 91.07% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 85.28% | 95.89% |
| CHEMBL3746 | P80365 | 11-beta-hydroxysteroid dehydrogenase 2 | 85.27% | 94.78% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 82.82% | 94.45% |
| CHEMBL6136 | O60341 | Lysine-specific histone demethylase 1 | 82.24% | 95.58% |
| CHEMBL2413 | P32246 | C-C chemokine receptor type 1 | 81.89% | 89.50% |
| CHEMBL4478 | Q00975 | Voltage-gated N-type calcium channel alpha-1B subunit | 81.89% | 97.14% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 81.49% | 95.56% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 80.80% | 94.00% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 80.59% | 89.00% |
| CHEMBL1907600 | Q00535 | Cyclin-dependent kinase 5/CDK5 activator 1 | 80.39% | 93.03% |
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.
| Aspidosperma discolor |
| Piper nigrum |
| PubChem | 73880680 |
| LOTUS | LTS0137318 |
| wikiData | Q105225735 |