Aszonalenin
| Internal ID | a0c0ec8c-c5bd-4612-8935-398ee058f430 |
| Taxonomy | Organoheterocyclic compounds > Indoles and derivatives > Pyrroloindoles |
| IUPAC Name | 10-(2-methylbut-3-en-2-yl)-1,3,14-triazapentacyclo[10.9.0.02,10.04,9.015,20]henicosa-4,6,8,15,17,19-hexaene-13,21-dione |
| SMILES (Canonical) | |
| SMILES (Isomeric) | |
| InChI | InChI=1S/C23H23N3O2/c1-4-22(2,3)23-13-18-19(27)24-16-11-7-5-9-14(16)20(28)26(18)21(23)25-17-12-8-6-10-15(17)23/h4-12,18,21,25H,1,13H2,2-3H3,(H,24,27) |
| InChI Key | AVLMMDWEIUEKEK-UHFFFAOYSA-N |
| Popularity | 8 references in papers |
| Molecular Formula | C23H23N3O2 |
| Molecular Weight | 373.40 g/mol |
| Exact Mass | 373.17902698 g/mol |
| Topological Polar Surface Area (TPSA) | 61.40 Ų |
| XlogP | 4.20 |
| 81797-27-5 |
| DTXSID50398686 |
| RefChem:916435 |
| DTXCID80349545 |
| 10-(2-Methylbut-3-en-2-yl)-1,3,14-triazapentacyclo[10.9.0.02,10.04,9.015,20]henicosa-4,6,8,15,17,19-hexaene-13,21-dione |
| SCHEMBL29617375 |
| CHEBI:206347 |
| GDA79727 |
| NSC374337 |
| 14a-(2-Methylbut-3-en-2-yl)-5a,13a,14,14a-tetrahydroindolo[3',2':4,5]pyrrolo[2,1-c][1,4]benzodiazepine-7,13(5H,12H)-dione |
| 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 |
|---|---|---|---|---|
| CHEMBL2581 | P07339 | Cathepsin D | 96.67% | 98.95% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 96.10% | 91.11% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 94.09% | 95.56% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 94.00% | 96.09% |
| CHEMBL4026 | P40763 | Signal transducer and activator of transcription 3 | 92.40% | 82.69% |
| CHEMBL3524 | P56524 | Histone deacetylase 4 | 92.20% | 92.97% |
| CHEMBL5697 | Q9GZT9 | Egl nine homolog 1 | 91.79% | 93.40% |
| CHEMBL1937 | Q92769 | Histone deacetylase 2 | 91.16% | 94.75% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 89.46% | 86.33% |
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 89.07% | 97.25% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 85.28% | 99.23% |
| CHEMBL4478 | Q00975 | Voltage-gated N-type calcium channel alpha-1B subunit | 85.17% | 97.14% |
| CHEMBL1907600 | Q00535 | Cyclin-dependent kinase 5/CDK5 activator 1 | 85.03% | 93.03% |
| CHEMBL2085 | P14174 | Macrophage migration inhibitory factor | 84.99% | 80.78% |
| CHEMBL5966 | P55899 | IgG receptor FcRn large subunit p51 | 84.62% | 90.93% |
| CHEMBL1902 | P62942 | FK506-binding protein 1A | 84.04% | 97.05% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 81.68% | 97.09% |
| CHEMBL2095226 | P05556 | Integrin alpha-5/beta-1 | 81.53% | 96.39% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 81.10% | 89.00% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 80.33% | 100.00% |
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 | 4037170 |
| LOTUS | LTS0087693 |
| wikiData | Q82200803 |