Rhazinilam
| Internal ID | 49e6ce34-659f-4e25-98c8-3ff827fb1401 |
| Taxonomy | Benzenoids |
| IUPAC Name | (12R)-12-ethyl-8,16-diazatetracyclo[10.6.1.02,7.016,19]nonadeca-1(19),2,4,6,17-pentaen-9-one |
| SMILES (Canonical) | CCC12CCCN3C1=C(C=C3)C4=CC=CC=C4NC(=O)CC2 |
| SMILES (Isomeric) | CC[C@]12CCCN3C1=C(C=C3)C4=CC=CC=C4NC(=O)CC2 |
| InChI | InChI=1S/C19H22N2O/c1-2-19-10-5-12-21-13-9-15(18(19)21)14-6-3-4-7-16(14)20-17(22)8-11-19/h3-4,6-7,9,13H,2,5,8,10-12H2,1H3,(H,20,22)/t19-/m1/s1 |
| InChI Key | VLQAFTDOIRUYSZ-LJQANCHMSA-N |
| Popularity | 46 references in papers |
| Molecular Formula | C19H22N2O |
| Molecular Weight | 294.40 g/mol |
| Exact Mass | 294.173213330 g/mol |
| Topological Polar Surface Area (TPSA) | 34.00 Ų |
| XlogP | 2.90 |
| CHEMBL302501 |
| SCHEMBL4908273 |
| Q18394240 |
| (12R)-12-ethyl-8,16-diazatetracyclo[10.6.1.0?,?.0??,??]nonadeca-1(19),2,4,6,17-pentaen-9-one |
| (12R)-12-ethyl-8,16-diazatetracyclo[10.6.1.02,7.016,19]nonadeca-1(19),2,4,6,17-pentaen-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 |
|---|---|---|---|---|
| CHEMBL2581 | P07339 | Cathepsin D | 99.10% | 98.95% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 93.16% | 95.56% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 91.17% | 86.33% |
| CHEMBL3524 | P56524 | Histone deacetylase 4 | 91.03% | 92.97% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 90.50% | 85.14% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 90.04% | 96.09% |
| CHEMBL5697 | Q9GZT9 | Egl nine homolog 1 | 88.95% | 93.40% |
| CHEMBL4026 | P40763 | Signal transducer and activator of transcription 3 | 88.70% | 82.69% |
| CHEMBL1937 | Q92769 | Histone deacetylase 2 | 88.22% | 94.75% |
| CHEMBL228 | P31645 | Serotonin transporter | 86.53% | 95.51% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 85.90% | 99.23% |
| CHEMBL1907600 | Q00535 | Cyclin-dependent kinase 5/CDK5 activator 1 | 84.11% | 93.03% |
| CHEMBL221 | P23219 | Cyclooxygenase-1 | 84.06% | 90.17% |
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 82.31% | 97.25% |
| CHEMBL2781 | P19634 | Sodium/hydrogen exchanger 1 | 82.21% | 90.24% |
| CHEMBL2095172 | P14867 | GABA-A receptor; alpha-1/beta-2/gamma-2 | 82.08% | 92.67% |
| CHEMBL2378 | P30307 | Dual specificity phosphatase Cdc25C | 81.54% | 96.67% |
| CHEMBL230 | P35354 | Cyclooxygenase-2 | 80.68% | 89.63% |
| CHEMBL3351 | Q13085 | Acetyl-CoA carboxylase 1 | 80.58% | 93.04% |
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.
| Aspidosperma excelsum |
| Aspidosperma quebracho-blanco |
| Kopsia arborea |
| Kopsia singapurensis |
| Kopsia teoi |
| Leuconotis griffithii |
| Rauvolfia serpentina |
| Rhazya stricta |
| PubChem | 11312435 |
| LOTUS | LTS0103897 |
| wikiData | Q18394240 |