1-(19,21-Epoxy-17-hydroxy-16-methoxyaspidospermidin-1-yl)ethanone
| Internal ID | 6f062ad5-0e09-40ea-9b91-82af2aa0033d |
| Taxonomy | Organoheterocyclic compounds > Indoles and derivatives > Carbazoles |
| IUPAC Name | 1-[(1R,4R,12R,16S)-7-hydroxy-8-methoxy-17-oxa-5,15-diazahexacyclo[13.4.3.01,16.04,12.06,11.012,16]docosa-6(11),7,9-trien-5-yl]ethanone |
| SMILES (Canonical) | CC(=O)N1C2CCC34CCCN5C3(C2(CC5)C6=C1C(=C(C=C6)OC)O)OCC4 |
| SMILES (Isomeric) | CC(=O)N1[C@@H]2CC[C@@]34CCCN5[C@]3([C@]2(CC5)C6=C1C(=C(C=C6)OC)O)OCC4 |
| InChI | InChI=1S/C22H28N2O4/c1-14(25)24-17-6-8-20-7-3-11-23-12-9-21(17,22(20,23)28-13-10-20)15-4-5-16(27-2)19(26)18(15)24/h4-5,17,26H,3,6-13H2,1-2H3/t17-,20-,21-,22+/m1/s1 |
| InChI Key | QGGACCULAHXNDK-CIQXWFTPSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C22H28N2O4 |
| Molecular Weight | 384.50 g/mol |
| Exact Mass | 384.20490738 g/mol |
| Topological Polar Surface Area (TPSA) | 62.20 Ų |
| XlogP | 2.00 |
| 2494-58-8 |
| 1-(19,21-Epoxy-17-hydroxy-16-methoxyaspidospermidin-1-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 | 98.90% | 96.09% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 94.69% | 91.11% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 92.92% | 95.89% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 91.17% | 94.45% |
| CHEMBL2581 | P07339 | Cathepsin D | 90.16% | 98.95% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 90.06% | 85.14% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 88.68% | 86.33% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 87.88% | 89.00% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 87.83% | 94.00% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 86.32% | 95.56% |
| CHEMBL5845 | P23415 | Glycine receptor subunit alpha-1 | 83.64% | 90.71% |
| CHEMBL340 | P08684 | Cytochrome P450 3A4 | 82.62% | 91.19% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 81.51% | 100.00% |
| CHEMBL5028 | O14672 | ADAM10 | 81.29% | 97.50% |
| CHEMBL241 | Q14432 | Phosphodiesterase 3A | 80.60% | 92.94% |
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 excelsum |
| Aspidosperma megalocarpon |
| PubChem | 12308698 |
| LOTUS | LTS0059241 |
| wikiData | Q104395703 |