16-methoxy-3,5-dioxa-11-azapentacyclo[10.7.1.02,6.08,20.014,19]icosa-1(19),2(6),7,9,12(20),14,16-heptaene-13,18-dione
| Internal ID | adc68031-78fa-4c21-9f32-04fdb47337a5 |
| 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),7,9,12(20),14,16-heptaene-13,18-dione |
| SMILES (Canonical) | COC1=CC(=O)C2=C3C4=C(C(=O)C2=C1)NC=CC4=CC5=C3OCO5 |
| SMILES (Isomeric) | COC1=CC(=O)C2=C3C4=C(C(=O)C2=C1)NC=CC4=CC5=C3OCO5 |
| InChI | InChI=1S/C18H11NO5/c1-22-9-5-10-14(11(20)6-9)15-13-8(2-3-19-16(13)17(10)21)4-12-18(15)24-7-23-12/h2-6,19H,7H2,1H3 |
| InChI Key | MMQCCIZOUVWMTI-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C18H11NO5 |
| Molecular Weight | 321.30 g/mol |
| Exact Mass | 321.06372245 g/mol |
| Topological Polar Surface Area (TPSA) | 73.90 Ų |
| XlogP | 0.50 |
| 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),7,9,12(20),14,16-heptaene-13,18-dione](https://plantaedb.com/storage/docs/compounds/2023/07/90cde9f0-219a-11ee-92e4-db4d7b3c4d2d.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),7,9,12(20),14,16-heptaene-13,18-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 | 98.93% | 96.77% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 98.39% | 91.11% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 97.79% | 94.45% |
| CHEMBL3192 | Q9BY41 | Histone deacetylase 8 | 96.97% | 93.99% |
| CHEMBL2581 | P07339 | Cathepsin D | 95.37% | 98.95% |
| CHEMBL4224 | P49759 | Dual specificty protein kinase CLK1 | 94.35% | 85.30% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 92.37% | 95.56% |
| CHEMBL1937 | Q92769 | Histone deacetylase 2 | 92.03% | 94.75% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 91.71% | 94.00% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 89.26% | 96.09% |
| CHEMBL2708 | Q16584 | Mitogen-activated protein kinase kinase kinase 11 | 87.59% | 81.14% |
| CHEMBL4481 | P35228 | Nitric oxide synthase, inducible | 87.54% | 94.80% |
| CHEMBL4225 | P49760 | Dual specificity protein kinase CLK2 | 87.40% | 80.96% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 86.43% | 86.33% |
| CHEMBL2803 | P43403 | Tyrosine-protein kinase ZAP-70 | 84.13% | 82.50% |
| CHEMBL2378 | P30307 | Dual specificity phosphatase Cdc25C | 84.05% | 96.67% |
| CHEMBL4208 | P20618 | Proteasome component C5 | 82.29% | 90.00% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 82.00% | 99.23% |
| CHEMBL2373 | P21730 | C5a anaphylatoxin chemotactic receptor | 81.61% | 92.62% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 81.16% | 89.00% |
| CHEMBL2717 | Q9HCR9 | Phosphodiesterase 11A | 80.87% | 85.00% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 80.62% | 97.09% |
| CHEMBL1075094 | Q16236 | Nuclear factor erythroid 2-related factor 2 | 80.58% | 96.00% |
| CHEMBL2535 | P11166 | Glucose transporter | 80.36% | 98.75% |
| CHEMBL5543 | Q9Y463 | Dual specificity tyrosine-phosphorylation-regulated kinase 1B | 80.02% | 94.70% |
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.
| Annona squamosa |