Vasicinol
| Internal ID | f7299c6d-4d7f-491f-8fdd-9e80cb807876 |
| Taxonomy | Organoheterocyclic compounds > Diazanaphthalenes > Benzodiazines > Quinazolines |
| IUPAC Name | (3S)-1,2,3,9-tetrahydropyrrolo[2,1-b]quinazoline-3,7-diol |
| SMILES (Canonical) | C1CN2CC3=C(C=CC(=C3)O)N=C2C1O |
| SMILES (Isomeric) | C1CN2CC3=C(C=CC(=C3)O)N=C2[C@H]1O |
| InChI | InChI=1S/C11H12N2O2/c14-8-1-2-9-7(5-8)6-13-4-3-10(15)11(13)12-9/h1-2,5,10,14-15H,3-4,6H2/t10-/m0/s1 |
| InChI Key | WEFMOGRHGUPGMA-JTQLQIEISA-N |
| Popularity | 1 reference in papers |
| Molecular Formula | C11H12N2O2 |
| Molecular Weight | 204.22 g/mol |
| Exact Mass | 204.089877630 g/mol |
| Topological Polar Surface Area (TPSA) | 56.10 Ų |
| XlogP | 0.10 |
| 5081-51-6 |
| (3S)-1,2,3,9-tetrahydropyrrolo[2,1-b]quinazoline-3,7-diol |
| C10743 |
| AC1L9DOK |
| CHEBI:9935 |
| HY-N1102 |
| AKOS040762482 |
| FS-10059 |
| CS-0016390 |
| Q27108521 |
| There are more than 10 synonyms. If you wish to see them all click here. |
| 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 | 94.58% | 93.40% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 90.84% | 96.09% |
| CHEMBL1907603 | Q05586 | Glutamate NMDA receptor; GRIN1/GRIN2B | 89.73% | 95.89% |
| CHEMBL225 | P28335 | Serotonin 2c (5-HT2c) receptor | 89.50% | 89.62% |
| CHEMBL2581 | P07339 | Cathepsin D | 87.76% | 98.95% |
| CHEMBL4040 | P28482 | MAP kinase ERK2 | 86.84% | 83.82% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 86.72% | 86.33% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 86.06% | 95.89% |
| CHEMBL217 | P14416 | Dopamine D2 receptor | 85.73% | 95.62% |
| CHEMBL5845 | P23415 | Glycine receptor subunit alpha-1 | 83.60% | 90.71% |
| CHEMBL2107 | P61073 | C-X-C chemokine receptor type 4 | 83.59% | 93.10% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 83.27% | 97.09% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 83.25% | 91.11% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 82.82% | 94.45% |
| CHEMBL241 | Q14432 | Phosphodiesterase 3A | 82.60% | 92.94% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 81.49% | 94.00% |
| CHEMBL4208 | P20618 | Proteasome component C5 | 81.47% | 90.00% |
| CHEMBL2781 | P19634 | Sodium/hydrogen exchanger 1 | 80.65% | 90.24% |
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 | 442934 |
| LOTUS | LTS0076492 |
| wikiData | Q27108521 |