(+)-N-Deacetylaspidospermine
| Internal ID | 424e59aa-4faa-435d-be10-21989410e59a |
| Taxonomy | Alkaloids and derivatives > Aspidospermatan-type alkaloids |
| IUPAC Name | 12-ethyl-6-methoxy-8,16-diazapentacyclo[10.6.1.01,9.02,7.016,19]nonadeca-2(7),3,5-triene |
| SMILES (Canonical) | CCC12CCCN3C1C4(CC3)C(CC2)NC5=C4C=CC=C5OC |
| SMILES (Isomeric) | CCC12CCCN3C1C4(CC3)C(CC2)NC5=C4C=CC=C5OC |
| InChI | InChI=1S/C20H28N2O/c1-3-19-9-5-12-22-13-11-20(18(19)22)14-6-4-7-15(23-2)17(14)21-16(20)8-10-19/h4,6-7,16,18,21H,3,5,8-13H2,1-2H3 |
| InChI Key | NGBPTTMEDUDCAG-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C20H28N2O |
| Molecular Weight | 312.40 g/mol |
| Exact Mass | 312.220163521 g/mol |
| Topological Polar Surface Area (TPSA) | 24.50 Ų |
| XlogP | 4.00 |
| Deacetylaspidospermine |
| NoName_4444 |
| Aspidospermine, deacetyl- |
| 17-Methoxyaspidospermidine # |
| DTXSID50903714 |
| NGBPTTMEDUDCAG-UHFFFAOYSA-N |
| 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 | 98.86% | 96.09% |
| CHEMBL4040 | P28482 | MAP kinase ERK2 | 96.41% | 83.82% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 95.94% | 97.09% |
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 94.49% | 97.25% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 92.57% | 95.89% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 92.17% | 86.33% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 91.79% | 95.56% |
| CHEMBL225 | P28335 | Serotonin 2c (5-HT2c) receptor | 91.27% | 89.62% |
| CHEMBL2581 | P07339 | Cathepsin D | 89.52% | 98.95% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 89.34% | 94.45% |
| CHEMBL4478 | Q00975 | Voltage-gated N-type calcium channel alpha-1B subunit | 86.14% | 97.14% |
| CHEMBL4895 | P30530 | Tyrosine-protein kinase receptor UFO | 84.95% | 90.95% |
| CHEMBL5203 | P33316 | dUTP pyrophosphatase | 84.27% | 99.18% |
| CHEMBL4026 | P40763 | Signal transducer and activator of transcription 3 | 83.33% | 82.69% |
| CHEMBL335 | P18031 | Protein-tyrosine phosphatase 1B | 81.47% | 95.17% |
| CHEMBL3476 | O15111 | Inhibitor of nuclear factor kappa B kinase alpha subunit | 81.44% | 95.83% |
| CHEMBL4208 | P20618 | Proteasome component C5 | 81.36% | 90.00% |
| CHEMBL3192 | Q9BY41 | Histone deacetylase 8 | 80.65% | 93.99% |
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 quebracho-blanco |
| Strempeliopsis strempelioides |
| Vallesia glabra |
| PubChem | 580302 |
| LOTUS | LTS0193312 |
| wikiData | Q104250855 |