1,2-Didehydroaspidospermidine
| Internal ID | 018c054e-920c-4231-a312-99bceb99913e |
| Taxonomy | Alkaloids and derivatives > Plumeran-type alkaloids |
| IUPAC Name | (1S,12R,19R)-12-ethyl-8,16-diazapentacyclo[10.6.1.01,9.02,7.016,19]nonadeca-2,4,6,8-tetraene |
| SMILES (Canonical) | CCC12CCCN3C1C4(CC3)C(=NC5=CC=CC=C45)CC2 |
| SMILES (Isomeric) | CC[C@]12CCCN3[C@H]1[C@@]4(CC3)C(=NC5=CC=CC=C45)CC2 |
| InChI | InChI=1S/C19H24N2/c1-2-18-9-5-12-21-13-11-19(17(18)21)14-6-3-4-7-15(14)20-16(19)8-10-18/h3-4,6-7,17H,2,5,8-13H2,1H3/t17-,18-,19-/m1/s1 |
| InChI Key | FGFBHTJUUGUSCK-GUDVDZBRSA-N |
| Popularity | 4 references in papers |
| Molecular Formula | C19H24N2 |
| Molecular Weight | 280.40 g/mol |
| Exact Mass | 280.193948774 g/mol |
| Topological Polar Surface Area (TPSA) | 15.60 Ų |
| XlogP | 3.00 |
| 19751-76-9 |
| (1S,12R,19R)-12-ethyl-8,16-diazapentacyclo[10.6.1.01,9.02,7.016,19]nonadeca-2,4,6,8-tetraene |
| SCHEMBL22449963 |
| 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 | 96.46% | 96.09% |
| CHEMBL2581 | P07339 | Cathepsin D | 94.85% | 98.95% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 90.63% | 86.33% |
| CHEMBL230 | P35354 | Cyclooxygenase-2 | 89.23% | 89.63% |
| CHEMBL335 | P18031 | Protein-tyrosine phosphatase 1B | 89.02% | 95.17% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 87.01% | 95.56% |
| CHEMBL4026 | P40763 | Signal transducer and activator of transcription 3 | 85.37% | 82.69% |
| CHEMBL264 | Q9Y5N1 | Histamine H3 receptor | 83.94% | 91.43% |
| CHEMBL4208 | P20618 | Proteasome component C5 | 82.36% | 90.00% |
| CHEMBL2107 | P61073 | C-X-C chemokine receptor type 4 | 81.72% | 93.10% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 81.57% | 97.09% |
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 80.99% | 97.25% |
| CHEMBL2373 | P21730 | C5a anaphylatoxin chemotactic receptor | 80.55% | 92.62% |
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.
| Alstonia rostrata |
| PubChem | 10945856 |
| LOTUS | LTS0153569 |
| wikiData | Q104994864 |