(5-Hydroxy-12-methoxy-6-oxo-7,15-diazatetracyclo[7.7.1.02,7.010,15]heptadecan-4-yl) 2-methylbut-2-enoate
| Internal ID | 61a50a68-b82a-4761-9060-5379d8649742 |
| Taxonomy | Alkaloids and derivatives > Lupin alkaloids > Sparteine, lupanine, and related alkaloids |
| IUPAC Name | (5-hydroxy-12-methoxy-6-oxo-7,15-diazatetracyclo[7.7.1.02,7.010,15]heptadecan-4-yl) 2-methylbut-2-enoate |
| SMILES (Canonical) | |
| SMILES (Isomeric) | |
| InChI | InChI=1S/C21H32N2O5/c1-4-12(2)21(26)28-18-9-17-13-7-14(11-23(17)20(25)19(18)24)16-8-15(27-3)5-6-22(16)10-13/h4,13-19,24H,5-11H2,1-3H3 |
| InChI Key | YVQJCCQBPAKQKB-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C21H32N2O5 |
| Molecular Weight | 392.50 g/mol |
| Exact Mass | 392.23112213 g/mol |
| Topological Polar Surface Area (TPSA) | 79.30 Ų |
| XlogP | 1.40 |
| There are no found synonyms. |
![2D Structure of (5-Hydroxy-12-methoxy-6-oxo-7,15-diazatetracyclo[7.7.1.02,7.010,15]heptadecan-4-yl) 2-methylbut-2-enoate](https://plantaedb.com/storage/docs/compounds/2023/11/73dc1f50-856c-11ee-8885-3177c380750f.jpg "2D Structure of (5-Hydroxy-12-methoxy-6-oxo-7,15-diazatetracyclo[7.7.1.02,7.010,15]heptadecan-4-yl) 2-methylbut-2-enoate")
| 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 | 96.07% | 96.09% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 94.62% | 91.11% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 92.93% | 94.45% |
| CHEMBL2581 | P07339 | Cathepsin D | 91.72% | 98.95% |
| CHEMBL340 | P08684 | Cytochrome P450 3A4 | 90.74% | 91.19% |
| CHEMBL3807 | P17706 | T-cell protein-tyrosine phosphatase | 88.69% | 93.00% |
| CHEMBL284 | P27487 | Dipeptidyl peptidase IV | 87.50% | 95.69% |
| CHEMBL1902 | P62942 | FK506-binding protein 1A | 87.32% | 97.05% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 87.19% | 95.89% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 84.79% | 95.56% |
| CHEMBL2111367 | P27986 | PI3-kinase p110-alpha/p85-alpha | 83.74% | 94.33% |
| CHEMBL241 | Q14432 | Phosphodiesterase 3A | 82.46% | 92.94% |
| CHEMBL1871 | P10275 | Androgen Receptor | 82.19% | 96.43% |
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 81.95% | 97.25% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 81.80% | 99.23% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 80.55% | 89.00% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 80.33% | 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.
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| There are no matching plants. |
| PubChem | 73201088 |
| LOTUS | LTS0063043 |
| wikiData | Q105365835 |