7-Hydroxy-3,5-dioxa-11-azapentacyclo[10.7.1.02,6.08,20.014,19]icosa-1(20),2(6),7,12,14,16,18-heptaene-9,10-dione
| Internal ID | c28f7e9b-f712-414b-98de-9eeba9eedfbb |
| Taxonomy | Alkaloids and derivatives > Aporphines |
| IUPAC Name | 7-hydroxy-3,5-dioxa-11-azapentacyclo[10.7.1.02,6.08,20.014,19]icosa-1(20),2(6),7,12,14,16,18-heptaene-9,10-dione |
| SMILES (Canonical) | C1OC2=C(O1)C(=C3C4=C2C5=CC=CC=C5C=C4NC(=O)C3=O)O |
| SMILES (Isomeric) | C1OC2=C(O1)C(=C3C4=C2C5=CC=CC=C5C=C4NC(=O)C3=O)O |
| InChI | InChI=1S/C17H9NO5/c19-13-12-11-9(18-17(21)14(12)20)5-7-3-1-2-4-8(7)10(11)15-16(13)23-6-22-15/h1-5,19H,6H2,(H,18,21) |
| InChI Key | WBSYCQJWUFPZEV-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C17H9NO5 |
| Molecular Weight | 307.26 g/mol |
| Exact Mass | 307.04807239 g/mol |
| Topological Polar Surface Area (TPSA) | 84.90 Ų |
| XlogP | 3.20 |
| There are no found synonyms. |
![2D Structure of 7-Hydroxy-3,5-dioxa-11-azapentacyclo[10.7.1.02,6.08,20.014,19]icosa-1(20),2(6),7,12,14,16,18-heptaene-9,10-dione](https://plantaedb.com/storage/docs/compounds/2023/11/499761f0-85bc-11ee-a2f9-537f38ac9f4f.jpg "2D Structure of 7-Hydroxy-3,5-dioxa-11-azapentacyclo[10.7.1.02,6.08,20.014,19]icosa-1(20),2(6),7,12,14,16,18-heptaene-9,10-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 |
|---|---|---|---|---|
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 99.89% | 91.11% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 97.26% | 95.56% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 95.36% | 94.45% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 93.99% | 94.73% |
| CHEMBL2581 | P07339 | Cathepsin D | 93.86% | 98.95% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 92.85% | 89.00% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 91.76% | 99.23% |
| CHEMBL3830 | Q2M2I8 | Adaptor-associated kinase | 90.52% | 83.10% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 90.17% | 94.00% |
| CHEMBL3384 | Q16512 | Protein kinase N1 | 87.69% | 80.71% |
| CHEMBL2708 | Q16584 | Mitogen-activated protein kinase kinase kinase 11 | 87.31% | 81.14% |
| CHEMBL1937 | Q92769 | Histone deacetylase 2 | 86.24% | 94.75% |
| CHEMBL230 | P35354 | Cyclooxygenase-2 | 85.96% | 89.63% |
| CHEMBL3192 | Q9BY41 | Histone deacetylase 8 | 85.23% | 93.99% |
| CHEMBL2378 | P30307 | Dual specificity phosphatase Cdc25C | 83.29% | 96.67% |
| CHEMBL1860 | P10827 | Thyroid hormone receptor alpha | 80.66% | 99.15% |
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.
| Magnolia compressa |
| PubChem | 163008074 |
| LOTUS | LTS0111900 |
| wikiData | Q105301025 |