(16Z)-12,28-diazapentacyclo[22.7.1.18,12.010,25.028,32]tritriaconta-8,16-dien-31-one
| Internal ID | 4d21a23b-10c5-4345-9075-b0df360762f5 |
| Taxonomy | Organoheterocyclic compounds > Quinolizidines |
| IUPAC Name | (16Z)-12,28-diazapentacyclo[22.7.1.18,12.010,25.028,32]tritriaconta-8,16-dien-31-one |
| SMILES (Canonical) | |
| SMILES (Isomeric) | |
| InChI | InChI=1S/C31H50N2O/c34-30-18-21-33-20-17-27-26-22-25-14-10-7-8-12-16-29(30)31(33)28(27)15-11-6-4-2-1-3-5-9-13-19-32(23-25)24-26/h3,5,22,26-29,31H,1-2,4,6-21,23-24H2/b5-3- |
| InChI Key | LGNPAXFORTZWPR-HYXAFXHYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C31H50N2O |
| Molecular Weight | 466.70 g/mol |
| Exact Mass | 466.392314223 g/mol |
| Topological Polar Surface Area (TPSA) | 23.60 Ų |
| XlogP | 7.10 |
| There are no found synonyms. |
![2D Structure of (16Z)-12,28-diazapentacyclo[22.7.1.18,12.010,25.028,32]tritriaconta-8,16-dien-31-one](https://plantaedb.com/storage/docs/compounds/2023/11/16z-1228-diazapentacyclo227118120102502832tritriaconta-816-dien-31-one.jpg "2D Structure of (16Z)-12,28-diazapentacyclo[22.7.1.18,12.010,25.028,32]tritriaconta-8,16-dien-31-one")
| 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 |
|---|---|---|---|---|
| CHEMBL4040 | P28482 | MAP kinase ERK2 | 98.95% | 83.82% |
| CHEMBL2581 | P07339 | Cathepsin D | 96.85% | 98.95% |
| CHEMBL3746 | P80365 | 11-beta-hydroxysteroid dehydrogenase 2 | 95.52% | 94.78% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 92.13% | 94.45% |
| CHEMBL3192 | Q9BY41 | Histone deacetylase 8 | 89.17% | 93.99% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 88.62% | 95.56% |
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 88.07% | 97.25% |
| CHEMBL1978 | P11511 | Cytochrome P450 19A1 | 87.69% | 91.76% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 86.32% | 97.09% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 84.80% | 95.89% |
| CHEMBL1907600 | Q00535 | Cyclin-dependent kinase 5/CDK5 activator 1 | 84.08% | 93.03% |
| CHEMBL3055 | P50613 | Cyclin-dependent kinase 7 | 83.81% | 81.88% |
| CHEMBL1907605 | P24864 | Cyclin-dependent kinase 2/cyclin E1 | 83.18% | 92.88% |
| CHEMBL5805 | Q9NR97 | Toll-like receptor 8 | 81.98% | 96.25% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 81.84% | 91.11% |
| CHEMBL2693 | Q9UIQ6 | Cystinyl aminopeptidase | 81.59% | 97.64% |
| CHEMBL2274 | Q9H228 | Sphingosine 1-phosphate receptor Edg-8 | 81.22% | 100.00% |
| CHEMBL3807 | P17706 | T-cell protein-tyrosine phosphatase | 80.82% | 93.00% |
| CHEMBL217 | P14416 | Dopamine D2 receptor | 80.63% | 95.62% |
| CHEMBL5255 | O00206 | Toll-like receptor 4 | 80.45% | 92.50% |
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 | 152772141 |
| LOTUS | LTS0203238 |
| wikiData | Q105151474 |