2,3-Dihydroxy-8-oxo-5,6-dihydroisoquinolino[2,1-b]isoquinoline-12-carbaldehyde
| Internal ID | f7fdfd8b-fb9b-45bb-9653-11614c8c6222 |
| Taxonomy | Organoheterocyclic compounds > Isoquinolines and derivatives > Isoquinolones and derivatives |
| IUPAC Name | 2,3-dihydroxy-8-oxo-5,6-dihydroisoquinolino[2,1-b]isoquinoline-12-carbaldehyde |
| SMILES (Canonical) | |
| SMILES (Isomeric) | |
| InChI | InChI=1S/C18H13NO4/c20-9-11-2-1-3-12-13(11)7-15-14-8-17(22)16(21)6-10(14)4-5-19(15)18(12)23/h1-3,6-9,21-22H,4-5H2 |
| InChI Key | PFAPHJSTBQCVBG-UHFFFAOYSA-N |
| Popularity | 2 references in papers |
| Molecular Formula | C18H13NO4 |
| Molecular Weight | 307.30 g/mol |
| Exact Mass | 307.08445790 g/mol |
| Topological Polar Surface Area (TPSA) | 77.80 Ų |
| XlogP | 1.90 |
| There are no found synonyms. |
![2D Structure of 2,3-Dihydroxy-8-oxo-5,6-dihydroisoquinolino[2,1-b]isoquinoline-12-carbaldehyde](https://plantaedb.com/storage/docs/compounds/2023/11/23-dihydroxy-8-oxo-56-dihydroisoquinolino21-bisoquinoline-12-carbaldehyde.jpg "2D Structure of 2,3-Dihydroxy-8-oxo-5,6-dihydroisoquinolino[2,1-b]isoquinoline-12-carbaldehyde")
| 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 |
|---|---|---|---|---|
| CHEMBL5697 | Q9GZT9 | Egl nine homolog 1 | 98.88% | 93.40% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 98.69% | 95.56% |
| CHEMBL1951 | P21397 | Monoamine oxidase A | 98.46% | 91.49% |
| CHEMBL2581 | P07339 | Cathepsin D | 97.33% | 98.95% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 96.77% | 91.11% |
| CHEMBL1163101 | O75460 | Serine/threonine-protein kinase/endoribonuclease IRE1 | 95.49% | 98.11% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 93.23% | 89.00% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 89.09% | 86.33% |
| CHEMBL2085 | P14174 | Macrophage migration inhibitory factor | 87.42% | 80.78% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 84.63% | 96.09% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 83.85% | 99.23% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 83.13% | 85.14% |
| CHEMBL217 | P14416 | Dopamine D2 receptor | 82.88% | 95.62% |
| CHEMBL2535 | P11166 | Glucose transporter | 81.51% | 98.75% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 80.21% | 95.89% |
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.
| Alangium salviifolium |
| PubChem | 54763667 |
| LOTUS | LTS0023902 |
| wikiData | Q105207609 |