N6-Formyl-roquefortin C
| Internal ID | 77c10380-1c00-4b2c-9b62-651152e3e3d0 |
| Taxonomy | Organoheterocyclic compounds > Indoles and derivatives > Pyrroloindoles |
| IUPAC Name | (4Z)-4-(1H-imidazol-5-ylmethylidene)-9-(2-methylbut-3-en-2-yl)-3,6-dioxo-2,5,16-triazatetracyclo[7.7.0.02,7.010,15]hexadeca-10,12,14-triene-16-carbaldehyde |
| SMILES (Canonical) | |
| SMILES (Isomeric) | |
| InChI | InChI=1S/C23H23N5O3/c1-4-22(2,3)23-10-18-19(30)26-16(9-14-11-24-12-25-14)20(31)28(18)21(23)27(13-29)17-8-6-5-7-15(17)23/h4-9,11-13,18,21H,1,10H2,2-3H3,(H,24,25)(H,26,30)/b16-9- |
| InChI Key | IARYZEMKPILIFA-SXGWCWSVSA-N |
| Popularity | 2 references in papers |
| Molecular Formula | C23H23N5O3 |
| Molecular Weight | 417.50 g/mol |
| Exact Mass | 417.18008961 g/mol |
| Topological Polar Surface Area (TPSA) | 98.40 Ų |
| XlogP | 2.40 |
| (4Z)-4-(1H-imidazol-5-ylmethylidene)-9-(2-methylbut-3-en-2-yl)-3,6-dioxo-2,5,16-triazatetracyclo[7.7.0.02,7.010,15]hexadeca-10,12,14-triene-16-carbaldehyde |
| (4Z)-4-(1H-imidazol-5-ylmethylidene)-9-(2-methylbut-3-en-2-yl)-3,6-dioxo-2,5,16-triazatetracyclo(7.7.0.02,7.010,15)hexadeca-10,12,14-triene-16-carbaldehyde |
| RefChem:164366 |
| CHEBI:200339 |
| 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 | 98.15% | 93.40% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 96.42% | 96.09% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 96.13% | 95.56% |
| CHEMBL1951 | P21397 | Monoamine oxidase A | 91.03% | 91.49% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 90.78% | 99.23% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 90.57% | 94.45% |
| CHEMBL2581 | P07339 | Cathepsin D | 90.27% | 98.95% |
| CHEMBL2035 | P08912 | Muscarinic acetylcholine receptor M5 | 89.42% | 94.62% |
| CHEMBL3524 | P56524 | Histone deacetylase 4 | 89.27% | 92.97% |
| CHEMBL217 | P14416 | Dopamine D2 receptor | 89.21% | 95.62% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 88.76% | 91.11% |
| CHEMBL3038469 | P24941 | CDK2/Cyclin A | 86.83% | 91.38% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 84.95% | 86.33% |
| CHEMBL5409 | Q8TDU6 | G-protein coupled bile acid receptor 1 | 84.62% | 93.65% |
| CHEMBL2095226 | P05556 | Integrin alpha-5/beta-1 | 84.60% | 96.39% |
| CHEMBL3310 | Q96DB2 | Histone deacetylase 11 | 82.70% | 88.56% |
| CHEMBL2335 | P42785 | Lysosomal Pro-X carboxypeptidase | 82.17% | 100.00% |
| CHEMBL1902 | P62942 | FK506-binding protein 1A | 80.59% | 97.05% |
| CHEMBL2850 | P49840 | Glycogen synthase kinase-3 alpha | 80.45% | 88.84% |
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 | 101670837 |
| LOTUS | LTS0236636 |
| wikiData | Q77278361 |