7-Hydroxy-18,20-dioxa-16-azapentacyclo[11.7.1.01,16.03,8.09,21]henicosa-3(8),4,6,9(21),10,12-hexaen-14-one
| Internal ID | 0323115b-e2c0-4bf4-94b2-c3ff62b47b2a |
| Taxonomy | Alkaloids and derivatives > Aporphines |
| IUPAC Name | 7-hydroxy-18,20-dioxa-16-azapentacyclo[11.7.1.01,16.03,8.09,21]henicosa-3(8),4,6,9(21),10,12-hexaen-14-one |
| SMILES (Canonical) | C1C2=C(C3=C4C15N(CC(=O)C4=CC=C3)COCO5)C(=CC=C2)O |
| SMILES (Isomeric) | C1C2=C(C3=C4C15N(CC(=O)C4=CC=C3)COCO5)C(=CC=C2)O |
| InChI | InChI=1S/C18H15NO4/c20-14-6-1-3-11-7-18-17-12(4-2-5-13(17)16(11)14)15(21)8-19(18)9-22-10-23-18/h1-6,20H,7-10H2 |
| InChI Key | LAHAUCQBFPWHMI-UHFFFAOYSA-N |
| Popularity | 1 reference in papers |
| Molecular Formula | C18H15NO4 |
| Molecular Weight | 309.30 g/mol |
| Exact Mass | 309.10010796 g/mol |
| Topological Polar Surface Area (TPSA) | 59.00 Ų |
| XlogP | 2.30 |
| There are no found synonyms. |
![2D Structure of 7-Hydroxy-18,20-dioxa-16-azapentacyclo[11.7.1.01,16.03,8.09,21]henicosa-3(8),4,6,9(21),10,12-hexaen-14-one](https://plantaedb.com/storage/docs/compounds/2023/11/8e380e40-84b6-11ee-b941-615637a5b9f7.jpg "2D Structure of 7-Hydroxy-18,20-dioxa-16-azapentacyclo[11.7.1.01,16.03,8.09,21]henicosa-3(8),4,6,9(21),10,12-hexaen-14-one")
| 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 |
|---|---|---|---|---|
| CHEMBL1951 | P21397 | Monoamine oxidase A | 98.39% | 91.49% |
| CHEMBL2581 | P07339 | Cathepsin D | 97.53% | 98.95% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 94.89% | 91.11% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 92.81% | 95.56% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 89.69% | 86.33% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 89.23% | 99.23% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 89.21% | 89.00% |
| CHEMBL5697 | Q9GZT9 | Egl nine homolog 1 | 88.16% | 93.40% |
| CHEMBL1860 | P10827 | Thyroid hormone receptor alpha | 87.85% | 99.15% |
| CHEMBL1907600 | Q00535 | Cyclin-dependent kinase 5/CDK5 activator 1 | 87.28% | 93.03% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 85.42% | 94.00% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 85.34% | 96.09% |
| CHEMBL2553 | Q15418 | Ribosomal protein S6 kinase alpha 1 | 82.82% | 85.11% |
| CHEMBL5805 | Q9NR97 | Toll-like receptor 8 | 82.53% | 96.25% |
| CHEMBL3475 | P05121 | Plasminogen activator inhibitor-1 | 81.35% | 83.00% |
| CHEMBL3830 | Q2M2I8 | Adaptor-associated kinase | 80.68% | 83.10% |
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.
| Duguetia eximia |
| PubChem | 163192542 |
| LOTUS | LTS0079881 |
| wikiData | Q105148644 |