1-[(22R)-4,15-dimethoxy-2,12-diazahexacyclo[14.3.2.19,12.01,9.03,8.016,22]docosa-3(8),4,6-trien-2-yl]ethanone
| Internal ID | 5378759c-65c9-4851-bd39-5a778f148fd8 |
| Taxonomy | Alkaloids and derivatives > Aspidospermatan-type alkaloids |
| IUPAC Name | 1-[(22R)-4,15-dimethoxy-2,12-diazahexacyclo[14.3.2.19,12.01,9.03,8.016,22]docosa-3(8),4,6-trien-2-yl]ethanone |
| SMILES (Canonical) | CC(=O)N1C2=C(C=CC=C2OC)C34C15CCCC6(C3N(CCC6OC)CC4)CC5 |
| SMILES (Isomeric) | CC(=O)N1C2=C(C=CC=C2OC)C34C15CCCC6([C@@H]3N(CCC6OC)CC4)CC5 |
| InChI | InChI=1S/C24H32N2O3/c1-16(27)26-20-17(6-4-7-18(20)28-2)24-13-15-25-14-8-19(29-3)22(21(24)25)9-5-10-23(24,26)12-11-22/h4,6-7,19,21H,5,8-15H2,1-3H3/t19?,21-,22?,23?,24?/m0/s1 |
| InChI Key | SBYZZLKGHWVOBE-FIRWPCFVSA-N |
| Popularity | 1 reference in papers |
| Molecular Formula | C24H32N2O3 |
| Molecular Weight | 396.50 g/mol |
| Exact Mass | 396.24129289 g/mol |
| Topological Polar Surface Area (TPSA) | 42.00 Ų |
| XlogP | 2.70 |
| There are no found synonyms. |
![2D Structure of 1-[(22R)-4,15-dimethoxy-2,12-diazahexacyclo[14.3.2.19,12.01,9.03,8.016,22]docosa-3(8),4,6-trien-2-yl]ethanone](https://plantaedb.com/storage/docs/compounds/2023/11/f07f13f0-8628-11ee-b2a7-7b5fafcdf32d.jpg "2D Structure of 1-[(22R)-4,15-dimethoxy-2,12-diazahexacyclo[14.3.2.19,12.01,9.03,8.016,22]docosa-3(8),4,6-trien-2-yl]ethanone")
| 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 | 98.66% | 96.09% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 93.57% | 91.11% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 92.70% | 95.89% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 92.65% | 95.56% |
| CHEMBL2581 | P07339 | Cathepsin D | 91.61% | 98.95% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 90.30% | 86.33% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 88.11% | 94.45% |
| CHEMBL4478 | Q00975 | Voltage-gated N-type calcium channel alpha-1B subunit | 86.02% | 97.14% |
| CHEMBL5028 | O14672 | ADAM10 | 85.43% | 97.50% |
| CHEMBL1907600 | Q00535 | Cyclin-dependent kinase 5/CDK5 activator 1 | 83.66% | 93.03% |
| CHEMBL4208 | P20618 | Proteasome component C5 | 83.23% | 90.00% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 83.18% | 85.14% |
| CHEMBL340 | P08684 | Cytochrome P450 3A4 | 82.20% | 91.19% |
| CHEMBL4227 | P25090 | Lipoxin A4 receptor | 81.71% | 100.00% |
| CHEMBL220 | P22303 | Acetylcholinesterase | 81.09% | 94.45% |
| CHEMBL2535 | P11166 | Glucose transporter | 80.09% | 98.75% |
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 pyrifolium |
| PubChem | 163088479 |
| LOTUS | LTS0135402 |
| wikiData | Q105249796 |