3-hydroxy-7-methoxy-2,3-dihydro-1H-pyrrolo[2,1-b]quinazolin-9-one
| Internal ID | e162c1f7-803e-4556-9ff7-e62f2f927cc8 |
| Taxonomy | Organoheterocyclic compounds > Diazanaphthalenes > Benzodiazines > Quinazolines |
| IUPAC Name | 3-hydroxy-7-methoxy-2,3-dihydro-1H-pyrrolo[2,1-b]quinazolin-9-one |
| SMILES (Canonical) | COC1=CC2=C(C=C1)N=C3C(CCN3C2=O)O |
| SMILES (Isomeric) | COC1=CC2=C(C=C1)N=C3C(CCN3C2=O)O |
| InChI | InChI=1S/C12H12N2O3/c1-17-7-2-3-9-8(6-7)12(16)14-5-4-10(15)11(14)13-9/h2-3,6,10,15H,4-5H2,1H3 |
| InChI Key | MLGIKNSFMKMAAB-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C12H12N2O3 |
| Molecular Weight | 232.23 g/mol |
| Exact Mass | 232.08479225 g/mol |
| Topological Polar Surface Area (TPSA) | 62.10 Ų |
| XlogP | 0.40 |
| ACon0_001196 |
![2D Structure of 3-hydroxy-7-methoxy-2,3-dihydro-1H-pyrrolo[2,1-b]quinazolin-9-one](https://plantaedb.com/storage/docs/compounds/2023/11/3-hydroxy-7-methoxy-23-dihydro-1h-pyrrolo21-bquinazolin-9-one.jpg "2D Structure of 3-hydroxy-7-methoxy-2,3-dihydro-1H-pyrrolo[2,1-b]quinazolin-9-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 |
|---|---|---|---|---|
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 96.37% | 96.09% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 95.15% | 95.56% |
| CHEMBL2581 | P07339 | Cathepsin D | 93.50% | 98.95% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 93.01% | 85.14% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 91.58% | 94.00% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 91.28% | 86.33% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 87.97% | 91.11% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 87.46% | 95.89% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 85.47% | 97.09% |
| CHEMBL1860 | P10827 | Thyroid hormone receptor alpha | 85.13% | 99.15% |
| CHEMBL1075094 | Q16236 | Nuclear factor erythroid 2-related factor 2 | 84.89% | 96.00% |
| CHEMBL4208 | P20618 | Proteasome component C5 | 83.06% | 90.00% |
| CHEMBL221 | P23219 | Cyclooxygenase-1 | 82.96% | 90.17% |
| CHEMBL241 | Q14432 | Phosphodiesterase 3A | 80.55% | 92.94% |
| CHEMBL1907 | P15144 | Aminopeptidase N | 80.18% | 93.31% |
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.
| Justicia adhatoda |
| PubChem | 23872051 |
| LOTUS | LTS0004982 |
| wikiData | Q105166609 |