16,17-Dimethoxy-3,5-dioxa-11-azapentacyclo[10.7.1.02,6.08,20.014,19]icosa-1(20),2(6),7,14,16,18-hexaene
| Internal ID | 3ff7a232-db67-4b9b-bc6c-d1e5a6992a0b |
| Taxonomy | Alkaloids and derivatives > Aporphines |
| IUPAC Name | 16,17-dimethoxy-3,5-dioxa-11-azapentacyclo[10.7.1.02,6.08,20.014,19]icosa-1(20),2(6),7,14,16,18-hexaene |
| SMILES (Canonical) | |
| SMILES (Isomeric) | |
| InChI | InChI=1S/C19H19NO4/c1-21-14-7-11-5-13-17-10(3-4-20-13)6-16-19(24-9-23-16)18(17)12(11)8-15(14)22-2/h6-8,13,20H,3-5,9H2,1-2H3 |
| InChI Key | YNWJEUJZYKLCJG-UHFFFAOYSA-N |
| Popularity | 4 references in papers |
| Molecular Formula | C19H19NO4 |
| Molecular Weight | 325.40 g/mol |
| Exact Mass | 325.13140809 g/mol |
| Topological Polar Surface Area (TPSA) | 49.00 Ų |
| XlogP | 2.80 |
| There are no found synonyms. |
![2D Structure of 16,17-Dimethoxy-3,5-dioxa-11-azapentacyclo[10.7.1.02,6.08,20.014,19]icosa-1(20),2(6),7,14,16,18-hexaene](https://plantaedb.com/storage/docs/compounds/2023/11/cf75f130-85eb-11ee-abb4-3fc05069d798.jpg "2D Structure of 16,17-Dimethoxy-3,5-dioxa-11-azapentacyclo[10.7.1.02,6.08,20.014,19]icosa-1(20),2(6),7,14,16,18-hexaene")
| 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 | 96.41% | 96.77% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 94.84% | 96.09% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 94.42% | 97.09% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 93.67% | 91.11% |
| CHEMBL3192 | Q9BY41 | Histone deacetylase 8 | 93.66% | 93.99% |
| CHEMBL3231 | Q13464 | Rho-associated protein kinase 1 | 93.16% | 95.55% |
| CHEMBL241 | Q14432 | Phosphodiesterase 3A | 91.90% | 92.94% |
| CHEMBL2373 | P21730 | C5a anaphylatoxin chemotactic receptor | 91.03% | 92.62% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 90.97% | 86.33% |
| CHEMBL3880 | P07900 | Heat shock protein HSP 90-alpha | 90.73% | 96.21% |
| CHEMBL5311 | P37023 | Serine/threonine-protein kinase receptor R3 | 90.67% | 82.67% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 89.14% | 95.89% |
| CHEMBL4247 | Q9UM73 | ALK tyrosine kinase receptor | 87.11% | 96.86% |
| CHEMBL3438 | Q05513 | Protein kinase C zeta | 86.82% | 88.48% |
| CHEMBL2581 | P07339 | Cathepsin D | 86.71% | 98.95% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 86.38% | 100.00% |
| CHEMBL4208 | P20618 | Proteasome component C5 | 86.20% | 90.00% |
| CHEMBL4225 | P49760 | Dual specificity protein kinase CLK2 | 84.91% | 80.96% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 83.94% | 94.00% |
| CHEMBL2535 | P11166 | Glucose transporter | 83.50% | 98.75% |
| CHEMBL2413 | P32246 | C-C chemokine receptor type 1 | 82.89% | 89.50% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 82.11% | 94.45% |
| CHEMBL5339 | Q5NUL3 | G-protein coupled receptor 120 | 81.62% | 95.78% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 81.52% | 99.17% |
| CHEMBL5747 | Q92793 | CREB-binding protein | 81.01% | 95.12% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 80.98% | 89.00% |
| CHEMBL4793 | Q86TI2 | Dipeptidyl peptidase IX | 80.92% | 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.
| Goniothalamus laoticus |
| Magnolia arcabucoana |
| Ocotea acutifolia |
| PubChem | 10041981 |
| LOTUS | LTS0056642 |
| wikiData | Q105351138 |