Palosine, 17-demethoxy-
| Internal ID | 45e66c86-b35f-4cb9-add5-bae7275f1fdd |
| Taxonomy | Alkaloids and derivatives > Aspidospermatan-type alkaloids |
| IUPAC Name | 1-(12-ethyl-8,16-diazapentacyclo[10.6.1.01,9.02,7.016,19]nonadeca-2,4,6-trien-8-yl)propan-1-one |
| SMILES (Canonical) | CCC(=O)N1C2CCC3(CCCN4C3C2(CC4)C5=CC=CC=C51)CC |
| SMILES (Isomeric) | CCC(=O)N1C2CCC3(CCCN4C3C2(CC4)C5=CC=CC=C51)CC |
| InChI | InChI=1S/C22H30N2O/c1-3-19(25)24-17-9-6-5-8-16(17)22-13-15-23-14-7-11-21(4-2,20(22)23)12-10-18(22)24/h5-6,8-9,18,20H,3-4,7,10-15H2,1-2H3 |
| InChI Key | ZVJUOTFDVKNXIK-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C22H30N2O |
| Molecular Weight | 338.50 g/mol |
| Exact Mass | 338.235813585 g/mol |
| Topological Polar Surface Area (TPSA) | 23.60 Ų |
| XlogP | 3.90 |
| 1-Propionylaspidospermidine # |
| ZVJUOTFDVKNXIK-UHFFFAOYSA-N |
| Aspidospermidine, 1-(1-oxopropyl)- |
| 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 | 97.55% | 96.09% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 91.94% | 95.56% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 90.83% | 91.11% |
| CHEMBL221 | P23219 | Cyclooxygenase-1 | 87.78% | 90.17% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 86.24% | 97.09% |
| CHEMBL4026 | P40763 | Signal transducer and activator of transcription 3 | 85.98% | 82.69% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 85.44% | 86.33% |
| CHEMBL2581 | P07339 | Cathepsin D | 85.21% | 98.95% |
| CHEMBL2781 | P19634 | Sodium/hydrogen exchanger 1 | 84.44% | 90.24% |
| CHEMBL5028 | O14672 | ADAM10 | 84.26% | 97.50% |
| CHEMBL1907600 | Q00535 | Cyclin-dependent kinase 5/CDK5 activator 1 | 84.21% | 93.03% |
| CHEMBL4208 | P20618 | Proteasome component C5 | 83.56% | 90.00% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 80.80% | 95.89% |
| CHEMBL5845 | P23415 | Glycine receptor subunit alpha-1 | 80.77% | 90.71% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 80.35% | 94.45% |
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 discolor |
| PubChem | 579957 |
| LOTUS | LTS0111986 |
| wikiData | Q105384345 |