Isochaetominine B
| Internal ID | 6bde9f8e-fcdb-4ea9-952e-d0f592d321cb |
| Taxonomy | Organoheterocyclic compounds > Indoles and derivatives > Pyridoindoles > Pyridoindolones |
| IUPAC Name | (1R,10S,13R,15R)-10-ethyl-1-hydroxy-13-(4-oxoquinazolin-3-yl)-8,11-diazatetracyclo[6.6.1.02,7.011,15]pentadeca-2,4,6-triene-9,12-dione |
| SMILES (Canonical) | CCC1C(=O)N2C3N1C(=O)C(CC3(C4=CC=CC=C42)O)N5C=NC6=CC=CC=C6C5=O |
| SMILES (Isomeric) | CC[C@H]1C(=O)N2[C@H]3N1C(=O)[C@@H](C[C@]3(C4=CC=CC=C42)O)N5C=NC6=CC=CC=C6C5=O |
| InChI | InChI=1S/C23H20N4O4/c1-2-16-20(29)27-17-10-6-4-8-14(17)23(31)11-18(21(30)26(16)22(23)27)25-12-24-15-9-5-3-7-13(15)19(25)28/h3-10,12,16,18,22,31H,2,11H2,1H3/t16-,18+,22+,23+/m0/s1 |
| InChI Key | QKNGOIPTCPKCCI-GYVGSTJSSA-N |
| Popularity | 1 reference in papers |
| Molecular Formula | C23H20N4O4 |
| Molecular Weight | 416.40 g/mol |
| Exact Mass | 416.14845513 g/mol |
| Topological Polar Surface Area (TPSA) | 93.50 Ų |
| XlogP | 1.30 |
| CHEMBL3577058 |
| 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 | 97.93% | 96.09% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 95.62% | 85.14% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 95.00% | 95.56% |
| CHEMBL2581 | P07339 | Cathepsin D | 91.71% | 98.95% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 91.61% | 86.33% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 90.92% | 89.00% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 89.14% | 91.11% |
| CHEMBL2140 | P48775 | Tryptophan 2,3-dioxygenase | 88.02% | 98.46% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 87.88% | 99.23% |
| CHEMBL4208 | P20618 | Proteasome component C5 | 85.39% | 90.00% |
| CHEMBL4040 | P28482 | MAP kinase ERK2 | 84.66% | 83.82% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 83.56% | 94.00% |
| CHEMBL2095172 | P14867 | GABA-A receptor; alpha-1/beta-2/gamma-2 | 82.53% | 92.67% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 81.10% | 97.09% |
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.
| There are no matching plants. |
| PubChem | 122177436 |
| LOTUS | LTS0237516 |
| wikiData | Q105223217 |