19-Ethyl-19-hydroxy-17-oxa-3,13-diazapentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2,5,7,10,15(20)-hexaene-14,18-dione
Internal ID | 66097ced-96ef-4c52-89be-7bfe1ac9ee8f |
Taxonomy | Organoheterocyclic compounds > Pyranopyridines |
IUPAC Name | 19-ethyl-19-hydroxy-17-oxa-3,13-diazapentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2,5,7,10,15(20)-hexaene-14,18-dione |
SMILES (Canonical) | CCC1(C2=C(COC1=O)C(=O)N3CC4=CC5C=CC=CC5N=C4C3=C2)O |
SMILES (Isomeric) | CCC1(C2=C(COC1=O)C(=O)N3CC4=CC5C=CC=CC5N=C4C3=C2)O |
InChI | InChI=1S/C20H18N2O4/c1-2-20(25)14-8-16-17-12(7-11-5-3-4-6-15(11)21-17)9-22(16)18(23)13(14)10-26-19(20)24/h3-8,11,15,25H,2,9-10H2,1H3 |
InChI Key | FSMOKWYTNDPKEB-UHFFFAOYSA-N |
Popularity | 0 references in papers |
Molecular Formula | C20H18N2O4 |
Molecular Weight | 350.40 g/mol |
Exact Mass | 350.12665706 g/mol |
Topological Polar Surface Area (TPSA) | 79.20 Ų |
XlogP | 0.70 |
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 |
---|---|---|---|---|
CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 96.96% | 96.09% |
CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 96.58% | 97.25% |
CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 96.19% | 85.14% |
CHEMBL4303 | P08238 | Heat shock protein HSP 90-beta | 95.34% | 96.77% |
CHEMBL1781 | P11387 | DNA topoisomerase I | 94.83% | 97.00% |
CHEMBL5697 | Q9GZT9 | Egl nine homolog 1 | 94.59% | 93.40% |
CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 92.77% | 94.45% |
CHEMBL2581 | P07339 | Cathepsin D | 92.73% | 98.95% |
CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 91.20% | 86.33% |
CHEMBL4208 | P20618 | Proteasome component C5 | 90.63% | 90.00% |
CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 85.86% | 91.11% |
CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 85.60% | 95.56% |
CHEMBL1994 | P08235 | Mineralocorticoid receptor | 85.33% | 100.00% |
CHEMBL3137262 | O60341 | LSD1/CoREST complex | 84.68% | 97.09% |
CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 83.21% | 94.00% |
CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 82.07% | 89.00% |
CHEMBL2069156 | Q14145 | Kelch-like ECH-associated protein 1 | 80.57% | 82.38% |
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.
Camptotheca acuminata |
PubChem | 162982157 |
LOTUS | LTS0261582 |
wikiData | Q105000779 |