19-Hydroxy-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 | 9f3f621d-2e2f-432f-abe4-3cb95df65214 |
| Taxonomy | Organoheterocyclic compounds > Quinolines and derivatives > Pyrroloquinolines |
| IUPAC Name | 19-hydroxy-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) | CC1(C2CC3C(N1)C(=O)C4=C(C3(CC2O)C)NC5=CC=CC=C54)C |
| SMILES (Isomeric) | CC1(C2CC3C(N1)C(=O)C4=C(C3(CC2O)C)NC5=CC=CC=C54)C |
| InChI | InChI=1S/C20H24N2O2/c1-19(2)11-8-12-16(22-19)17(24)15-10-6-4-5-7-13(10)21-18(15)20(12,3)9-14(11)23/h4-7,11-12,14,16,21-23H,8-9H2,1-3H3 |
| InChI Key | JWYJMGVPHSPVOT-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C20H24N2O2 |
| Molecular Weight | 324.40 g/mol |
| Exact Mass | 324.183778013 g/mol |
| Topological Polar Surface Area (TPSA) | 65.10 Ų |
| XlogP | 2.60 |
| There are no found synonyms. |
![2D Structure of 19-Hydroxy-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/2023/11/7fd60d50-870c-11ee-8611-5b4ba3c0bbea.jpg "2D Structure of 19-Hydroxy-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 |
|---|---|---|---|---|
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 98.50% | 94.45% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 98.28% | 91.11% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 96.43% | 96.09% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 95.59% | 95.56% |
| CHEMBL2035 | P08912 | Muscarinic acetylcholine receptor M5 | 94.34% | 94.62% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 91.35% | 99.23% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 90.73% | 85.14% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 90.67% | 89.00% |
| CHEMBL216 | P11229 | Muscarinic acetylcholine receptor M1 | 90.62% | 94.23% |
| CHEMBL2581 | P07339 | Cathepsin D | 89.73% | 98.95% |
| CHEMBL1951 | P21397 | Monoamine oxidase A | 88.37% | 91.49% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 88.20% | 97.09% |
| CHEMBL3310 | Q96DB2 | Histone deacetylase 11 | 85.08% | 88.56% |
| CHEMBL255 | P29275 | Adenosine A2b receptor | 84.51% | 98.59% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 82.88% | 100.00% |
| CHEMBL4026 | P40763 | Signal transducer and activator of transcription 3 | 82.63% | 82.69% |
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 82.29% | 97.25% |
| CHEMBL1821 | P08173 | Muscarinic acetylcholine receptor M4 | 81.83% | 94.08% |
| CHEMBL218 | P21554 | Cannabinoid CB1 receptor | 80.74% | 96.61% |
| CHEMBL2535 | P11166 | Glucose transporter | 80.33% | 98.75% |
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 australasica |
| PubChem | 15601052 |
| LOTUS | LTS0229382 |
| wikiData | Q105136453 |