(1S,16R)-1-ethyl-15-oxa-5,18-diazatetracyclo[14.3.1.04,12.06,11]icosa-4(12),6,8,10-tetraene-14,17-dione
Internal ID | 93878a1a-2317-4869-86fc-0e50ce573748 |
Taxonomy | Organoheterocyclic compounds > Indoles and derivatives > Indoles > 3-alkylindoles |
IUPAC Name | (1S,16R)-1-ethyl-15-oxa-5,18-diazatetracyclo[14.3.1.04,12.06,11]icosa-4(12),6,8,10-tetraene-14,17-dione |
SMILES (Canonical) | CCC12CCC3=C(CC(=O)OC(C1)C(=O)NC2)C4=CC=CC=C4N3 |
SMILES (Isomeric) | CC[C@]12CCC3=C(CC(=O)O[C@H](C1)C(=O)NC2)C4=CC=CC=C4N3 |
InChI | InChI=1S/C19H22N2O3/c1-2-19-8-7-15-13(12-5-3-4-6-14(12)21-15)9-17(22)24-16(10-19)18(23)20-11-19/h3-6,16,21H,2,7-11H2,1H3,(H,20,23)/t16-,19+/m1/s1 |
InChI Key | YUPRHHFLOLUPFG-APWZRJJASA-N |
Popularity | 1 reference in papers |
Molecular Formula | C19H22N2O3 |
Molecular Weight | 326.40 g/mol |
Exact Mass | 326.16304257 g/mol |
Topological Polar Surface Area (TPSA) | 71.20 Ų |
XlogP | 2.80 |
There are no found synonyms. |
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 |
---|---|---|---|---|
CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 98.67% | 91.11% |
CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 98.58% | 97.25% |
CHEMBL255 | P29275 | Adenosine A2b receptor | 96.70% | 98.59% |
CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 96.07% | 96.09% |
CHEMBL2581 | P07339 | Cathepsin D | 92.96% | 98.95% |
CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 92.49% | 95.56% |
CHEMBL3137262 | O60341 | LSD1/CoREST complex | 91.68% | 97.09% |
CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 89.75% | 99.23% |
CHEMBL3310 | Q96DB2 | Histone deacetylase 11 | 89.60% | 88.56% |
CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 89.45% | 89.00% |
CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 89.28% | 94.45% |
CHEMBL2095172 | P14867 | GABA-A receptor; alpha-1/beta-2/gamma-2 | 88.23% | 92.67% |
CHEMBL5103 | Q969S8 | Histone deacetylase 10 | 85.95% | 90.08% |
CHEMBL2535 | P11166 | Glucose transporter | 85.09% | 98.75% |
CHEMBL2717 | Q9HCR9 | Phosphodiesterase 11A | 84.46% | 85.00% |
CHEMBL1951 | P21397 | Monoamine oxidase A | 83.69% | 91.49% |
CHEMBL202 | P00374 | Dihydrofolate reductase | 83.50% | 89.92% |
CHEMBL2373 | P21730 | C5a anaphylatoxin chemotactic receptor | 82.34% | 92.62% |
CHEMBL216 | P11229 | Muscarinic acetylcholine receptor M1 | 82.04% | 94.23% |
CHEMBL2094127 | P06493 | Cyclin-dependent kinase 1/cyclin B | 81.27% | 96.00% |
CHEMBL4026 | P40763 | Signal transducer and activator of transcription 3 | 80.78% | 82.69% |
CHEMBL221 | P23219 | Cyclooxygenase-1 | 80.32% | 90.17% |
CHEMBL4481 | P35228 | Nitric oxide synthase, inducible | 80.03% | 94.80% |
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 quebracho-blanco |
Linum usitatissimum |
PubChem | 134830560 |
LOTUS | LTS0188003 |
wikiData | Q105278173 |