(12S,19R)-12-ethyl-19-hydroxy-8,16-diazatetracyclo[10.6.1.02,7.016,19]nonadeca-1(18),2,4,6-tetraene-9,17-dione
| Internal ID | f29f197d-4411-4e62-9eef-bf663c2dc94c |
| Taxonomy | Alkaloids and derivatives > Rhazinilam alkaloids |
| IUPAC Name | (12S,19R)-12-ethyl-19-hydroxy-8,16-diazatetracyclo[10.6.1.02,7.016,19]nonadeca-1(18),2,4,6-tetraene-9,17-dione |
| SMILES (Canonical) | CCC12CCCN3C1(C(=CC3=O)C4=CC=CC=C4NC(=O)CC2)O |
| SMILES (Isomeric) | CC[C@@]12CCCN3[C@@]1(C(=CC3=O)C4=CC=CC=C4NC(=O)CC2)O |
| InChI | InChI=1S/C19H22N2O3/c1-2-18-9-5-11-21-17(23)12-14(19(18,21)24)13-6-3-4-7-15(13)20-16(22)8-10-18/h3-4,6-7,12,24H,2,5,8-11H2,1H3,(H,20,22)/t18-,19-/m0/s1 |
| InChI Key | OXDBJKLQCGAPQX-OALUTQOASA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C19H22N2O3 |
| Molecular Weight | 326.40 g/mol |
| Exact Mass | 326.16304257 g/mol |
| Topological Polar Surface Area (TPSA) | 69.60 Ų |
| XlogP | 1.00 |
| There are no found synonyms. |
![2D Structure of (12S,19R)-12-ethyl-19-hydroxy-8,16-diazatetracyclo[10.6.1.02,7.016,19]nonadeca-1(18),2,4,6-tetraene-9,17-dione](https://plantaedb.com/storage/docs/compounds/2023/11/001d0440-8539-11ee-9fb4-17f4cb2b19ad.jpg "2D Structure of (12S,19R)-12-ethyl-19-hydroxy-8,16-diazatetracyclo[10.6.1.02,7.016,19]nonadeca-1(18),2,4,6-tetraene-9,17-dione")
| 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 | 98.24% | 98.95% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 96.78% | 96.09% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 95.29% | 95.56% |
| CHEMBL4026 | P40763 | Signal transducer and activator of transcription 3 | 94.84% | 82.69% |
| CHEMBL230 | P35354 | Cyclooxygenase-2 | 93.97% | 89.63% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 92.81% | 86.33% |
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 92.71% | 97.25% |
| CHEMBL4208 | P20618 | Proteasome component C5 | 92.49% | 90.00% |
| CHEMBL1937 | Q92769 | Histone deacetylase 2 | 91.17% | 94.75% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 86.60% | 85.14% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 85.05% | 100.00% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 83.81% | 99.23% |
| CHEMBL1907600 | Q00535 | Cyclin-dependent kinase 5/CDK5 activator 1 | 83.60% | 93.03% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 82.91% | 97.09% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 82.77% | 91.11% |
| CHEMBL2378 | P30307 | Dual specificity phosphatase Cdc25C | 81.49% | 96.67% |
| CHEMBL3524 | P56524 | Histone deacetylase 4 | 81.22% | 92.97% |
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.
| Alstonia scholaris |
| Kopsia griffithii |
| Kopsia singapurensis |
| PubChem | 154496892 |
| LOTUS | LTS0069544 |
| wikiData | Q104912382 |