4-(1H-imidazol-5-ylmethylidene)-7-methoxy-9-(2-methylbut-3-en-2-yl)-2,5,16-triazatetracyclo[7.7.0.02,7.010,15]hexadeca-10,12,14-triene-3,6-dione
| Internal ID | e02cc87b-2bc2-4e3b-a46e-82b1a5568857 |
| Taxonomy | Organoheterocyclic compounds > Indoles and derivatives > Pyrroloindoles |
| IUPAC Name | 4-(1H-imidazol-5-ylmethylidene)-7-methoxy-9-(2-methylbut-3-en-2-yl)-2,5,16-triazatetracyclo[7.7.0.02,7.010,15]hexadeca-10,12,14-triene-3,6-dione |
| SMILES (Canonical) | CC(C)(C=C)C12CC3(C(=O)NC(=CC4=CN=CN4)C(=O)N3C1NC5=CC=CC=C25)OC |
| SMILES (Isomeric) | CC(C)(C=C)C12CC3(C(=O)NC(=CC4=CN=CN4)C(=O)N3C1NC5=CC=CC=C25)OC |
| InChI | InChI=1S/C23H25N5O3/c1-5-21(2,3)22-12-23(31-4)20(30)27-17(10-14-11-24-13-25-14)18(29)28(23)19(22)26-16-9-7-6-8-15(16)22/h5-11,13,19,26H,1,12H2,2-4H3,(H,24,25)(H,27,30) |
| InChI Key | VBCVNTFADLECCP-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C23H25N5O3 |
| Molecular Weight | 419.50 g/mol |
| Exact Mass | 419.19573968 g/mol |
| Topological Polar Surface Area (TPSA) | 99.40 Ų |
| XlogP | 2.80 |
| There are no found synonyms. |
![2D Structure of 4-(1H-imidazol-5-ylmethylidene)-7-methoxy-9-(2-methylbut-3-en-2-yl)-2,5,16-triazatetracyclo[7.7.0.02,7.010,15]hexadeca-10,12,14-triene-3,6-dione](https://plantaedb.com/storage/docs/compounds/2023/11/340f1410-8595-11ee-9a37-87624b37a484.jpg "2D Structure of 4-(1H-imidazol-5-ylmethylidene)-7-methoxy-9-(2-methylbut-3-en-2-yl)-2,5,16-triazatetracyclo[7.7.0.02,7.010,15]hexadeca-10,12,14-triene-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 |
|---|---|---|---|---|
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 96.01% | 91.11% |
| CHEMBL2581 | P07339 | Cathepsin D | 94.48% | 98.95% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 93.63% | 96.09% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 93.18% | 95.56% |
| CHEMBL3524 | P56524 | Histone deacetylase 4 | 91.66% | 92.97% |
| CHEMBL1951 | P21397 | Monoamine oxidase A | 91.37% | 91.49% |
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 89.74% | 97.25% |
| CHEMBL5409 | Q8TDU6 | G-protein coupled bile acid receptor 1 | 89.36% | 93.65% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 88.92% | 99.23% |
| CHEMBL5697 | Q9GZT9 | Egl nine homolog 1 | 88.53% | 93.40% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 86.46% | 86.33% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 86.43% | 95.89% |
| CHEMBL2095226 | P05556 | Integrin alpha-5/beta-1 | 86.24% | 96.39% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 83.98% | 85.14% |
| CHEMBL2035 | P08912 | Muscarinic acetylcholine receptor M5 | 83.62% | 94.62% |
| CHEMBL3310 | Q96DB2 | Histone deacetylase 11 | 82.69% | 88.56% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 82.64% | 94.00% |
| CHEMBL1907600 | Q00535 | Cyclin-dependent kinase 5/CDK5 activator 1 | 81.05% | 93.03% |
| CHEMBL1937 | Q92769 | Histone deacetylase 2 | 80.85% | 94.75% |
| CHEMBL1293267 | Q9HC97 | G-protein coupled receptor 35 | 80.14% | 89.34% |
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.
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| There are no matching plants. |
| PubChem | 75149475 |
| LOTUS | LTS0090802 |
| wikiData | Q105283166 |