4-(1H-imidazol-5-ylmethylidene)-9-(2-methylbut-3-en-2-yl)-2,5,16-triazatetracyclo[7.7.0.02,7.010,15]hexadeca-7,10,12,14-tetraene-3,6-dione
| Internal ID | 2c5765e8-fd69-4974-803e-f9d56df3a935 |
| Taxonomy | Organoheterocyclic compounds > Indoles and derivatives > Pyrroloindoles |
| IUPAC Name | 4-(1H-imidazol-5-ylmethylidene)-9-(2-methylbut-3-en-2-yl)-2,5,16-triazatetracyclo[7.7.0.02,7.010,15]hexadeca-7,10,12,14-tetraene-3,6-dione |
| SMILES (Canonical) | |
| SMILES (Isomeric) | |
| InChI | InChI=1S/C22H21N5O2/c1-4-21(2,3)22-10-17-18(28)25-16(9-13-11-23-12-24-13)19(29)27(17)20(22)26-15-8-6-5-7-14(15)22/h4-12,20,26H,1H2,2-3H3,(H,23,24)(H,25,28) |
| InChI Key | JVOSYWOUJMFCTQ-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C22H21N5O2 |
| Molecular Weight | 387.40 g/mol |
| Exact Mass | 387.16952493 g/mol |
| Topological Polar Surface Area (TPSA) | 90.10 Ų |
| XlogP | 3.10 |
| There are no found synonyms. |
![2D Structure of 4-(1H-imidazol-5-ylmethylidene)-9-(2-methylbut-3-en-2-yl)-2,5,16-triazatetracyclo[7.7.0.02,7.010,15]hexadeca-7,10,12,14-tetraene-3,6-dione](https://plantaedb.com/storage/docs/compounds/2023/11/9b171430-8607-11ee-b966-1d67f097ddad.jpg "2D Structure of 4-(1H-imidazol-5-ylmethylidene)-9-(2-methylbut-3-en-2-yl)-2,5,16-triazatetracyclo[7.7.0.02,7.010,15]hexadeca-7,10,12,14-tetraene-3,6-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 |
|---|---|---|---|---|
| CHEMBL5697 | Q9GZT9 | Egl nine homolog 1 | 97.37% | 93.40% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 96.59% | 85.14% |
| CHEMBL255 | P29275 | Adenosine A2b receptor | 94.76% | 98.59% |
| CHEMBL2035 | P08912 | Muscarinic acetylcholine receptor M5 | 94.26% | 94.62% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 93.75% | 96.09% |
| CHEMBL2581 | P07339 | Cathepsin D | 93.55% | 98.95% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 91.88% | 95.56% |
| CHEMBL3524 | P56524 | Histone deacetylase 4 | 91.76% | 92.97% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 91.75% | 99.23% |
| CHEMBL3038469 | P24941 | CDK2/Cyclin A | 90.27% | 91.38% |
| CHEMBL2095226 | P05556 | Integrin alpha-5/beta-1 | 89.46% | 96.39% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 87.66% | 86.33% |
| CHEMBL1907600 | Q00535 | Cyclin-dependent kinase 5/CDK5 activator 1 | 87.08% | 93.03% |
| CHEMBL1937 | Q92769 | Histone deacetylase 2 | 85.99% | 94.75% |
| CHEMBL2424504 | P29375 | Lysine-specific demethylase 5A | 84.62% | 99.23% |
| CHEMBL1951 | P21397 | Monoamine oxidase A | 84.58% | 91.49% |
| CHEMBL5409 | Q8TDU6 | G-protein coupled bile acid receptor 1 | 84.17% | 93.65% |
| CHEMBL5028 | O14672 | ADAM10 | 83.49% | 97.50% |
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 83.12% | 97.25% |
| CHEMBL3746 | P80365 | 11-beta-hydroxysteroid dehydrogenase 2 | 82.98% | 94.78% |
| CHEMBL2708 | Q16584 | Mitogen-activated protein kinase kinase kinase 11 | 82.37% | 81.14% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 81.22% | 89.00% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 80.92% | 94.00% |
| CHEMBL2693 | Q9UIQ6 | Cystinyl aminopeptidase | 80.24% | 97.64% |
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 | 163028869 |
| LOTUS | LTS0080390 |
| wikiData | Q104169912 |