5,10,11,12-Tetramethoxy-16-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2(7),3,5,9,11,13(17)-heptaen-8-one
| Internal ID | 6c8cfd8a-0bbc-49fb-9c80-27131f531ab3 |
| Taxonomy | Alkaloids and derivatives > Isoaporphines > Oxoisoaporphines |
| IUPAC Name | 5,10,11,12-tetramethoxy-16-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2(7),3,5,9,11,13(17)-heptaen-8-one |
| SMILES (Canonical) | COC1=CC2=C(C=C1)C3=NCCC4=C3C(=C(C(=C4OC)OC)OC)C2=O |
| SMILES (Isomeric) | COC1=CC2=C(C=C1)C3=NCCC4=C3C(=C(C(=C4OC)OC)OC)C2=O |
| InChI | InChI=1S/C20H19NO5/c1-23-10-5-6-11-13(9-10)17(22)15-14-12(7-8-21-16(11)14)18(24-2)20(26-4)19(15)25-3/h5-6,9H,7-8H2,1-4H3 |
| InChI Key | CHYDVJFTRUIRDR-UHFFFAOYSA-N |
| Popularity | 1 reference in papers |
| Molecular Formula | C20H19NO5 |
| Molecular Weight | 353.40 g/mol |
| Exact Mass | 353.12632271 g/mol |
| Topological Polar Surface Area (TPSA) | 66.40 Ų |
| XlogP | 2.70 |
| There are no found synonyms. |
![2D Structure of 5,10,11,12-Tetramethoxy-16-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2(7),3,5,9,11,13(17)-heptaen-8-one](https://plantaedb.com/storage/docs/compounds/2023/11/f23537c0-86d8-11ee-ae21-0d5f8459a1ae.jpg "2D Structure of 5,10,11,12-Tetramethoxy-16-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2(7),3,5,9,11,13(17)-heptaen-8-one")
| 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 |
|---|---|---|---|---|
| CHEMBL2581 | P07339 | Cathepsin D | 96.08% | 98.95% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 94.39% | 95.56% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 92.34% | 91.11% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 91.83% | 96.09% |
| CHEMBL1907 | P15144 | Aminopeptidase N | 91.21% | 93.31% |
| CHEMBL2378 | P30307 | Dual specificity phosphatase Cdc25C | 90.41% | 96.67% |
| CHEMBL4303 | P08238 | Heat shock protein HSP 90-beta | 89.53% | 96.77% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 87.38% | 94.00% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 86.78% | 86.33% |
| CHEMBL4208 | P20618 | Proteasome component C5 | 86.62% | 90.00% |
| CHEMBL2535 | P11166 | Glucose transporter | 86.05% | 98.75% |
| CHEMBL2056 | P21728 | Dopamine D1 receptor | 85.43% | 91.00% |
| CHEMBL5697 | Q9GZT9 | Egl nine homolog 1 | 83.71% | 93.40% |
| CHEMBL1075094 | Q16236 | Nuclear factor erythroid 2-related factor 2 | 83.60% | 96.00% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 81.97% | 95.89% |
| CHEMBL1860 | P10827 | Thyroid hormone receptor alpha | 81.68% | 99.15% |
| CHEMBL1966 | Q02127 | Dihydroorotate dehydrogenase | 81.60% | 96.09% |
| CHEMBL4940 | P07195 | L-lactate dehydrogenase B chain | 81.47% | 95.53% |
| CHEMBL2146302 | O94925 | Glutaminase kidney isoform, mitochondrial | 80.84% | 100.00% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 80.69% | 99.23% |
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.
| Menispermum dauricum |
| PubChem | 15489512 |
| LOTUS | LTS0094280 |
| wikiData | Q104959482 |