7,8,21-Trimethoxy-11-methyl-17,19-dioxa-11-azatetracyclo[12.7.0.04,9.016,20]henicosa-1(21),4(9),5,7,14,16(20)-hexaene-2,3-dione
| Internal ID | 3e570aa5-59ad-42a3-85df-6efcc6c05618 |
| Taxonomy | Alkaloids and derivatives > Protopine alkaloids |
| IUPAC Name | 7,8,21-trimethoxy-11-methyl-17,19-dioxa-11-azatetracyclo[12.7.0.04,9.016,20]henicosa-1(21),4(9),5,7,14,16(20)-hexaene-2,3-dione |
| SMILES (Canonical) | CN1CCC2=CC3=C(C(=C2C(=O)C(=O)C4=C(C1)C(=C(C=C4)OC)OC)OC)OCO3 |
| SMILES (Isomeric) | CN1CCC2=CC3=C(C(=C2C(=O)C(=O)C4=C(C1)C(=C(C=C4)OC)OC)OC)OCO3 |
| InChI | InChI=1S/C22H23NO7/c1-23-8-7-12-9-16-21(30-11-29-16)22(28-4)17(12)19(25)18(24)13-5-6-15(26-2)20(27-3)14(13)10-23/h5-6,9H,7-8,10-11H2,1-4H3 |
| InChI Key | PERSMPLCTGDLHL-UHFFFAOYSA-N |
| Popularity | 1 reference in papers |
| Molecular Formula | C22H23NO7 |
| Molecular Weight | 413.40 g/mol |
| Exact Mass | 413.14745207 g/mol |
| Topological Polar Surface Area (TPSA) | 83.50 Ų |
| XlogP | 2.50 |
| There are no found synonyms. |
![2D Structure of 7,8,21-Trimethoxy-11-methyl-17,19-dioxa-11-azatetracyclo[12.7.0.04,9.016,20]henicosa-1(21),4(9),5,7,14,16(20)-hexaene-2,3-dione](https://plantaedb.com/storage/docs/compounds/2023/11/cd1a8260-8562-11ee-a27f-a9ed92fbd226.jpg "2D Structure of 7,8,21-Trimethoxy-11-methyl-17,19-dioxa-11-azatetracyclo[12.7.0.04,9.016,20]henicosa-1(21),4(9),5,7,14,16(20)-hexaene-2,3-dione")
| 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 |
|---|---|---|---|---|
| CHEMBL4303 | P08238 | Heat shock protein HSP 90-beta | 98.69% | 96.77% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 96.70% | 95.56% |
| CHEMBL2581 | P07339 | Cathepsin D | 96.23% | 98.95% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 95.59% | 96.09% |
| CHEMBL5697 | Q9GZT9 | Egl nine homolog 1 | 95.10% | 93.40% |
| CHEMBL2056 | P21728 | Dopamine D1 receptor | 94.66% | 91.00% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 93.78% | 86.33% |
| CHEMBL4247 | Q9UM73 | ALK tyrosine kinase receptor | 93.24% | 96.86% |
| CHEMBL4208 | P20618 | Proteasome component C5 | 91.48% | 90.00% |
| CHEMBL5311 | P37023 | Serine/threonine-protein kinase receptor R3 | 90.94% | 82.67% |
| CHEMBL261 | P00915 | Carbonic anhydrase I | 90.88% | 96.76% |
| CHEMBL2535 | P11166 | Glucose transporter | 90.60% | 98.75% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 90.33% | 94.00% |
| CHEMBL3192 | Q9BY41 | Histone deacetylase 8 | 90.30% | 93.99% |
| CHEMBL5747 | Q92793 | CREB-binding protein | 88.90% | 95.12% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 88.48% | 89.00% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 87.64% | 95.89% |
| CHEMBL4940 | P07195 | L-lactate dehydrogenase B chain | 86.44% | 95.53% |
| CHEMBL2069156 | Q14145 | Kelch-like ECH-associated protein 1 | 86.08% | 82.38% |
| CHEMBL2085 | P14174 | Macrophage migration inhibitory factor | 85.56% | 80.78% |
| CHEMBL4225 | P49760 | Dual specificity protein kinase CLK2 | 85.48% | 80.96% |
| CHEMBL4895 | P30530 | Tyrosine-protein kinase receptor UFO | 85.46% | 90.95% |
| CHEMBL2378 | P30307 | Dual specificity phosphatase Cdc25C | 85.43% | 96.67% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 84.45% | 94.45% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 83.25% | 91.11% |
| CHEMBL1871 | P10275 | Androgen Receptor | 82.62% | 96.43% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 81.06% | 100.00% |
| CHEMBL5925 | P22413 | Ectonucleotide pyrophosphatase/phosphodiesterase family member 1 | 80.78% | 92.38% |
| CHEMBL1951 | P21397 | Monoamine oxidase A | 80.23% | 91.49% |
| CHEMBL1966 | Q02127 | Dihydroorotate dehydrogenase | 80.14% | 96.09% |
| CHEMBL1075094 | Q16236 | Nuclear factor erythroid 2-related factor 2 | 80.09% | 96.00% |
| CHEMBL5409 | Q8TDU6 | G-protein coupled bile acid receptor 1 | 80.00% | 93.65% |
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.
| Papaver curviscapum |
| PubChem | 14239602 |
| LOTUS | LTS0124897 |
| wikiData | Q105381434 |