1,14,14-Trimethyl-3,13-diazapentacyclo[13.2.2.02,10.04,9.012,17]nonadeca-2(10),4,6,8-tetraen-11-one
| Internal ID | a6f7b217-5f70-4d5b-b2b9-b10b4e261106 |
| Taxonomy | Organoheterocyclic compounds > Quinolines and derivatives > Pyrroloquinolines |
| IUPAC Name | 1,14,14-trimethyl-3,13-diazapentacyclo[13.2.2.02,10.04,9.012,17]nonadeca-2(10),4,6,8-tetraen-11-one |
| SMILES (Canonical) | |
| SMILES (Isomeric) | |
| InChI | InChI=1S/C20H24N2O/c1-19(2)11-8-9-20(3)13(10-11)16(22-19)17(23)15-12-6-4-5-7-14(12)21-18(15)20/h4-7,11,13,16,21-22H,8-10H2,1-3H3 |
| InChI Key | AHJPJJQWNMIKFL-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C20H24N2O |
| Molecular Weight | 308.40 g/mol |
| Exact Mass | 308.188863393 g/mol |
| Topological Polar Surface Area (TPSA) | 44.90 Ų |
| XlogP | 3.60 |
| There are no found synonyms. |
![2D Structure of 1,14,14-Trimethyl-3,13-diazapentacyclo[13.2.2.02,10.04,9.012,17]nonadeca-2(10),4,6,8-tetraen-11-one](https://plantaedb.com/storage/docs/compounds/2023/11/11414-trimethyl-313-diazapentacyclo1322021004901217nonadeca-210468-tetraen-11-one.jpg "2D Structure of 1,14,14-Trimethyl-3,13-diazapentacyclo[13.2.2.02,10.04,9.012,17]nonadeca-2(10),4,6,8-tetraen-11-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 |
|---|---|---|---|---|
| CHEMBL2035 | P08912 | Muscarinic acetylcholine receptor M5 | 97.50% | 94.62% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 97.27% | 94.45% |
| CHEMBL216 | P11229 | Muscarinic acetylcholine receptor M1 | 97.20% | 94.23% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 95.48% | 95.56% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 95.45% | 91.11% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 93.66% | 97.09% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 93.27% | 96.09% |
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 91.84% | 97.25% |
| CHEMBL2581 | P07339 | Cathepsin D | 90.87% | 98.95% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 90.15% | 99.23% |
| CHEMBL1821 | P08173 | Muscarinic acetylcholine receptor M4 | 89.09% | 94.08% |
| CHEMBL3310 | Q96DB2 | Histone deacetylase 11 | 88.48% | 88.56% |
| CHEMBL4026 | P40763 | Signal transducer and activator of transcription 3 | 87.50% | 82.69% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 87.37% | 89.00% |
| CHEMBL1937 | Q92769 | Histone deacetylase 2 | 86.66% | 94.75% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 86.64% | 100.00% |
| CHEMBL3155 | P34969 | Serotonin 7 (5-HT7) receptor | 86.61% | 90.71% |
| CHEMBL3192 | Q9BY41 | Histone deacetylase 8 | 86.05% | 93.99% |
| CHEMBL255 | P29275 | Adenosine A2b receptor | 82.84% | 98.59% |
| CHEMBL1951 | P21397 | Monoamine oxidase A | 82.49% | 91.49% |
| CHEMBL2094127 | P06493 | Cyclin-dependent kinase 1/cyclin B | 81.39% | 96.00% |
| CHEMBL5103 | Q969S8 | Histone deacetylase 10 | 81.17% | 90.08% |
| CHEMBL2095172 | P14867 | GABA-A receptor; alpha-1/beta-2/gamma-2 | 80.26% | 92.67% |
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.
| Aristotelia serrata |
| PubChem | 3785486 |
| LOTUS | LTS0082706 |
| wikiData | Q104912279 |