1-(7-Methoxy-3,5-dioxa-11-azapentacyclo[10.7.1.02,6.08,20.014,19]icosa-1,6,8(20),14,16,18-hexaen-11-yl)ethanone
| Internal ID | fe39e270-75ff-4ce1-8ec8-b5381615d220 |
| Taxonomy | Alkaloids and derivatives > Aporphines |
| IUPAC Name | 1-(7-methoxy-3,5-dioxa-11-azapentacyclo[10.7.1.02,6.08,20.014,19]icosa-1,6,8(20),14,16,18-hexaen-11-yl)ethanone |
| SMILES (Canonical) | CC(=O)N1CCC2=C3C1CC4=CC=CC=C4C3=C5C(=C2OC)OCO5 |
| SMILES (Isomeric) | CC(=O)N1CCC2=C3C1CC4=CC=CC=C4C3=C5C(=C2OC)OCO5 |
| InChI | InChI=1S/C20H19NO4/c1-11(22)21-8-7-14-16-15(21)9-12-5-3-4-6-13(12)17(16)19-20(18(14)23-2)25-10-24-19/h3-6,15H,7-10H2,1-2H3 |
| InChI Key | VLRJLXGQZGIYLP-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C20H19NO4 |
| Molecular Weight | 337.40 g/mol |
| Exact Mass | 337.13140809 g/mol |
| Topological Polar Surface Area (TPSA) | 48.00 Ų |
| XlogP | 2.70 |
| There are no found synonyms. |
![2D Structure of 1-(7-Methoxy-3,5-dioxa-11-azapentacyclo[10.7.1.02,6.08,20.014,19]icosa-1,6,8(20),14,16,18-hexaen-11-yl)ethanone](https://plantaedb.com/storage/docs/compounds/2023/11/01b98440-8652-11ee-a258-9172d6c7db36.jpg "2D Structure of 1-(7-Methoxy-3,5-dioxa-11-azapentacyclo[10.7.1.02,6.08,20.014,19]icosa-1,6,8(20),14,16,18-hexaen-11-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 | 98.49% | 96.09% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 97.20% | 91.11% |
| CHEMBL2581 | P07339 | Cathepsin D | 97.04% | 98.95% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 93.65% | 95.56% |
| CHEMBL2056 | P21728 | Dopamine D1 receptor | 92.03% | 91.00% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 88.81% | 86.33% |
| CHEMBL1907603 | Q05586 | Glutamate NMDA receptor; GRIN1/GRIN2B | 87.25% | 95.89% |
| CHEMBL2095226 | P05556 | Integrin alpha-5/beta-1 | 86.36% | 96.39% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 86.27% | 99.23% |
| CHEMBL2535 | P11166 | Glucose transporter | 85.85% | 98.75% |
| CHEMBL5028 | O14672 | ADAM10 | 85.06% | 97.50% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 84.99% | 89.00% |
| CHEMBL4040 | P28482 | MAP kinase ERK2 | 84.04% | 83.82% |
| CHEMBL4208 | P20618 | Proteasome component C5 | 82.02% | 90.00% |
| CHEMBL4303 | P08238 | Heat shock protein HSP 90-beta | 82.01% | 96.77% |
| CHEMBL4793 | Q86TI2 | Dipeptidyl peptidase IX | 81.55% | 96.95% |
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.
| Artabotrys hexapetalus |
| Magnolia kachirachirai |
| PubChem | 10382432 |
| LOTUS | LTS0193724 |
| wikiData | Q105288617 |