spiro[1-benzofuran-2,3'-2,9-dihydro-1H-pyrrolo[2,1-b]quinazoline]-3-one
| Internal ID | 8014d7ff-c081-4817-a89c-9a135f289c49 |
| Taxonomy | Organoheterocyclic compounds > Diazanaphthalenes > Benzodiazines > Quinazolines |
| IUPAC Name | spiro[1-benzofuran-2,3'-2,9-dihydro-1H-pyrrolo[2,1-b]quinazoline]-3-one |
| SMILES (Canonical) | C1CN2CC3=CC=CC=C3N=C2C14C(=O)C5=CC=CC=C5O4 |
| SMILES (Isomeric) | C1CN2CC3=CC=CC=C3N=C2C14C(=O)C5=CC=CC=C5O4 |
| InChI | InChI=1S/C18H14N2O2/c21-16-13-6-2-4-8-15(13)22-18(16)9-10-20-11-12-5-1-3-7-14(12)19-17(18)20/h1-8H,9-11H2 |
| InChI Key | WTCJCMUXLLVBFN-UHFFFAOYSA-N |
| Popularity | 1 reference in papers |
| Molecular Formula | C18H14N2O2 |
| Molecular Weight | 290.30 g/mol |
| Exact Mass | 290.105527694 g/mol |
| Topological Polar Surface Area (TPSA) | 41.90 Ų |
| XlogP | 2.40 |
| There are no found synonyms. |
![2D Structure of spiro[1-benzofuran-2,3'-2,9-dihydro-1H-pyrrolo[2,1-b]quinazoline]-3-one](https://plantaedb.com/storage/docs/compounds/2023/11/spiro1-benzofuran-23-29-dihydro-1h-pyrrolo21-bquinazoline-3-one.jpg "2D Structure of spiro[1-benzofuran-2,3'-2,9-dihydro-1H-pyrrolo[2,1-b]quinazoline]-3-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 |
|---|---|---|---|---|
| CHEMBL4040 | P28482 | MAP kinase ERK2 | 99.34% | 83.82% |
| CHEMBL6007 | O75762 | Transient receptor potential cation channel subfamily A member 1 | 97.10% | 92.17% |
| CHEMBL2581 | P07339 | Cathepsin D | 95.75% | 98.95% |
| CHEMBL5805 | Q9NR97 | Toll-like receptor 8 | 92.97% | 96.25% |
| CHEMBL5697 | Q9GZT9 | Egl nine homolog 1 | 92.42% | 93.40% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 92.19% | 95.56% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 90.73% | 96.09% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 90.33% | 85.14% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 89.33% | 86.33% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 87.67% | 99.23% |
| CHEMBL4208 | P20618 | Proteasome component C5 | 87.11% | 90.00% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 86.47% | 91.11% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 81.42% | 94.00% |
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.
| Anisotes trisulcus |
| PubChem | 163044722 |
| LOTUS | LTS0127354 |
| wikiData | Q105312392 |