methyl (1S,2S,7S,11S,17R,18R)-18-ethyl-8,14-diazapentacyclo[9.5.2.01,9.02,7.014,17]octadec-9-ene-10-carboxylate
| Internal ID | 7840a9fc-fdd4-4df2-b09a-a86779c59eb6 |
| Taxonomy | Organoheterocyclic compounds > Diazaspirononane derivatives |
| IUPAC Name | methyl (1S,2S,7S,11S,17R,18R)-18-ethyl-8,14-diazapentacyclo[9.5.2.01,9.02,7.014,17]octadec-9-ene-10-carboxylate |
| SMILES (Canonical) | |
| SMILES (Isomeric) | |
| InChI | InChI=1S/C20H30N2O2/c1-3-12-13-8-10-22-11-9-20(18(12)22)14-6-4-5-7-15(14)21-17(20)16(13)19(23)24-2/h12-15,18,21H,3-11H2,1-2H3/t12-,13+,14-,15+,18-,20-/m1/s1 |
| InChI Key | AKKGSBVONASWJC-WTLXFOEESA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C20H30N2O2 |
| Molecular Weight | 330.50 g/mol |
| Exact Mass | 330.230728204 g/mol |
| Topological Polar Surface Area (TPSA) | 41.60 Ų |
| XlogP | 3.20 |
| There are no found synonyms. |
![2D Structure of methyl (1S,2S,7S,11S,17R,18R)-18-ethyl-8,14-diazapentacyclo[9.5.2.01,9.02,7.014,17]octadec-9-ene-10-carboxylate](https://plantaedb.com/storage/docs/compounds/2023/11/089285f0-83fa-11ee-8307-b16c7a1c5e9a.jpg "2D Structure of methyl (1S,2S,7S,11S,17R,18R)-18-ethyl-8,14-diazapentacyclo[9.5.2.01,9.02,7.014,17]octadec-9-ene-10-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 | 99.44% | 96.09% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 94.83% | 97.09% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 94.38% | 94.45% |
| CHEMBL2581 | P07339 | Cathepsin D | 92.24% | 98.95% |
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 92.05% | 97.25% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 90.48% | 91.11% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 88.75% | 85.14% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 88.45% | 95.89% |
| CHEMBL4187 | Q99250 | Sodium channel protein type II alpha subunit | 88.37% | 95.50% |
| CHEMBL4208 | P20618 | Proteasome component C5 | 87.43% | 90.00% |
| CHEMBL1907600 | Q00535 | Cyclin-dependent kinase 5/CDK5 activator 1 | 85.38% | 93.03% |
| CHEMBL4227 | P25090 | Lipoxin A4 receptor | 84.81% | 100.00% |
| CHEMBL3430907 | Q96GD4 | Aurora kinase B/Inner centromere protein | 84.69% | 97.50% |
| CHEMBL233 | P35372 | Mu opioid receptor | 84.55% | 97.93% |
| CHEMBL2111367 | P27986 | PI3-kinase p110-alpha/p85-alpha | 83.66% | 94.33% |
| CHEMBL340 | P08684 | Cytochrome P450 3A4 | 81.97% | 91.19% |
| CHEMBL2274 | Q9H228 | Sphingosine 1-phosphate receptor Edg-8 | 81.74% | 100.00% |
| CHEMBL218 | P21554 | Cannabinoid CB1 receptor | 81.51% | 96.61% |
| CHEMBL5845 | P23415 | Glycine receptor subunit alpha-1 | 81.39% | 90.71% |
| CHEMBL5028 | O14672 | ADAM10 | 81.08% | 97.50% |
| CHEMBL226 | P30542 | Adenosine A1 receptor | 80.69% | 95.93% |
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 | 162908180 |
| LOTUS | LTS0028474 |
| wikiData | Q104913690 |