16-Methoxy-3,5-dioxa-11-azapentacyclo[10.7.1.02,6.08,20.014,19]icosa-1(19),2(6),7,12(20),13,16-hexaene-15,18-dione
| Internal ID | 273e0c3c-c946-4ecb-8db7-131612706e6d |
| Taxonomy | Alkaloids and derivatives > Aporphines |
| IUPAC Name | 16-methoxy-3,5-dioxa-11-azapentacyclo[10.7.1.02,6.08,20.014,19]icosa-1(19),2(6),7,12(20),13,16-hexaene-15,18-dione |
| SMILES (Canonical) | COC1=CC(=O)C2=C3C4=C(C=C2C1=O)NCCC4=CC5=C3OCO5 |
| SMILES (Isomeric) | COC1=CC(=O)C2=C3C4=C(C=C2C1=O)NCCC4=CC5=C3OCO5 |
| InChI | InChI=1S/C18H13NO5/c1-22-12-6-11(20)15-9(17(12)21)5-10-14-8(2-3-19-10)4-13-18(16(14)15)24-7-23-13/h4-6,19H,2-3,7H2,1H3 |
| InChI Key | UYUUOXGBYBNIHS-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C18H13NO5 |
| Molecular Weight | 323.30 g/mol |
| Exact Mass | 323.07937252 g/mol |
| Topological Polar Surface Area (TPSA) | 73.90 Ų |
| XlogP | 2.70 |
| There are no found synonyms. |
![2D Structure of 16-Methoxy-3,5-dioxa-11-azapentacyclo[10.7.1.02,6.08,20.014,19]icosa-1(19),2(6),7,12(20),13,16-hexaene-15,18-dione](https://plantaedb.com/storage/docs/compounds/2023/11/985557c0-861f-11ee-9b91-e38de1cdd8fa.jpg "2D Structure of 16-Methoxy-3,5-dioxa-11-azapentacyclo[10.7.1.02,6.08,20.014,19]icosa-1(19),2(6),7,12(20),13,16-hexaene-15,18-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 | 99.55% | 96.77% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 97.67% | 91.11% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 95.78% | 94.45% |
| CHEMBL2581 | P07339 | Cathepsin D | 94.89% | 98.95% |
| CHEMBL4225 | P49760 | Dual specificity protein kinase CLK2 | 94.57% | 80.96% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 93.58% | 89.00% |
| CHEMBL3192 | Q9BY41 | Histone deacetylase 8 | 93.38% | 93.99% |
| CHEMBL4224 | P49759 | Dual specificty protein kinase CLK1 | 91.73% | 85.30% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 91.06% | 86.33% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 90.90% | 96.09% |
| CHEMBL5311 | P37023 | Serine/threonine-protein kinase receptor R3 | 89.55% | 82.67% |
| CHEMBL2378 | P30307 | Dual specificity phosphatase Cdc25C | 89.33% | 96.67% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 89.30% | 94.00% |
| CHEMBL255 | P29275 | Adenosine A2b receptor | 88.97% | 98.59% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 87.46% | 95.56% |
| CHEMBL2094127 | P06493 | Cyclin-dependent kinase 1/cyclin B | 87.20% | 96.00% |
| CHEMBL4481 | P35228 | Nitric oxide synthase, inducible | 86.32% | 94.80% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 86.03% | 100.00% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 85.98% | 97.09% |
| CHEMBL4208 | P20618 | Proteasome component C5 | 85.47% | 90.00% |
| CHEMBL1951 | P21397 | Monoamine oxidase A | 83.86% | 91.49% |
| CHEMBL3880 | P07900 | Heat shock protein HSP 90-alpha | 82.87% | 96.21% |
| CHEMBL2535 | P11166 | Glucose transporter | 81.83% | 98.75% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 81.43% | 99.23% |
| CHEMBL226 | P30542 | Adenosine A1 receptor | 81.12% | 95.93% |
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.
| Fissistigma balansae |
| PubChem | 10829734 |
| LOTUS | LTS0085008 |
| wikiData | Q105281953 |