1-(6-Methoxy-3,20-dimethyl-15-oxa-3,20-diazapentacyclo[10.7.1.02,10.04,9.013,18]icosa-2(10),4(9),5,7-tetraen-17-yl)ethanone
| Internal ID | 725f9069-1f7d-45bb-b30a-b75ba00aa473 |
| Taxonomy | Alkaloids and derivatives > Macroline alkaloids |
| IUPAC Name | 1-(6-methoxy-3,20-dimethyl-15-oxa-3,20-diazapentacyclo[10.7.1.02,10.04,9.013,18]icosa-2(10),4(9),5,7-tetraen-17-yl)ethanone |
| SMILES (Canonical) | |
| SMILES (Isomeric) | |
| InChI | InChI=1S/C22H28N2O3/c1-12(25)17-10-27-11-18-15(17)8-21-22-16(9-20(18)23(21)2)14-6-5-13(26-4)7-19(14)24(22)3/h5-7,15,17-18,20-21H,8-11H2,1-4H3 |
| InChI Key | SRSUKTCWRPDHED-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C22H28N2O3 |
| Molecular Weight | 368.50 g/mol |
| Exact Mass | 368.20999276 g/mol |
| Topological Polar Surface Area (TPSA) | 43.70 Ų |
| XlogP | 1.90 |
| There are no found synonyms. |
![2D Structure of 1-(6-Methoxy-3,20-dimethyl-15-oxa-3,20-diazapentacyclo[10.7.1.02,10.04,9.013,18]icosa-2(10),4(9),5,7-tetraen-17-yl)ethanone](https://plantaedb.com/storage/docs/compounds/2023/11/f9503a60-8624-11ee-980f-e94e588ab66a.jpg "2D Structure of 1-(6-Methoxy-3,20-dimethyl-15-oxa-3,20-diazapentacyclo[10.7.1.02,10.04,9.013,18]icosa-2(10),4(9),5,7-tetraen-17-yl)ethanone")
| 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 | 98.25% | 96.09% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 97.76% | 91.11% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 93.66% | 95.56% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 93.51% | 89.00% |
| CHEMBL1951 | P21397 | Monoamine oxidase A | 93.34% | 91.49% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 91.31% | 94.45% |
| CHEMBL2581 | P07339 | Cathepsin D | 89.03% | 98.95% |
| CHEMBL4793 | Q86TI2 | Dipeptidyl peptidase IX | 88.90% | 96.95% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 87.18% | 94.00% |
| CHEMBL2535 | P11166 | Glucose transporter | 86.07% | 98.75% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 85.99% | 99.17% |
| CHEMBL1899 | P46098 | Serotonin 3a (5-HT3a) receptor | 85.69% | 100.00% |
| CHEMBL4016 | P42262 | Glutamate receptor ionotropic, AMPA 2 | 85.56% | 86.92% |
| CHEMBL2335 | P42785 | Lysosomal Pro-X carboxypeptidase | 85.35% | 100.00% |
| CHEMBL4208 | P20618 | Proteasome component C5 | 85.09% | 90.00% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 84.79% | 86.33% |
| CHEMBL2373 | P21730 | C5a anaphylatoxin chemotactic receptor | 84.25% | 92.62% |
| CHEMBL5409 | Q8TDU6 | G-protein coupled bile acid receptor 1 | 83.98% | 93.65% |
| CHEMBL1907603 | Q05586 | Glutamate NMDA receptor; GRIN1/GRIN2B | 82.56% | 95.89% |
| CHEMBL4657 | Q6V1X1 | Dipeptidyl peptidase VIII | 82.19% | 97.21% |
| CHEMBL2146302 | O94925 | Glutaminase kidney isoform, mitochondrial | 80.42% | 100.00% |
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.
| Alstonia macrophylla |
| PubChem | 72772211 |
| LOTUS | LTS0043807 |
| wikiData | Q104888789 |