9-(3,6-Dioxo-4-propan-2-yl-2,5,16-triazatetracyclo[7.7.0.02,7.010,15]hexadeca-10,12,14-trien-9-yl)-4-(2-methylpropyl)-2,5,16-triazatetracyclo[7.7.0.02,7.010,15]hexadeca-10,12,14-triene-3,6-dione
| Internal ID | e0f439e0-031c-4740-85ca-3c4fcfa5dad8 |
| Taxonomy | Organoheterocyclic compounds > Indoles and derivatives > Pyrroloindoles |
| IUPAC Name | 9-(3,6-dioxo-4-propan-2-yl-2,5,16-triazatetracyclo[7.7.0.02,7.010,15]hexadeca-10,12,14-trien-9-yl)-4-(2-methylpropyl)-2,5,16-triazatetracyclo[7.7.0.02,7.010,15]hexadeca-10,12,14-triene-3,6-dione |
| SMILES (Canonical) | |
| SMILES (Isomeric) | |
| InChI | InChI=1S/C33H38N6O4/c1-16(2)13-22-28(42)38-23(26(40)34-22)14-32(18-9-5-7-11-20(18)35-30(32)38)33-15-24-27(41)37-25(17(3)4)29(43)39(24)31(33)36-21-12-8-6-10-19(21)33/h5-12,16-17,22-25,30-31,35-36H,13-15H2,1-4H3,(H,34,40)(H,37,41) |
| InChI Key | JYRSHQHBOCBIJL-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C33H38N6O4 |
| Molecular Weight | 582.70 g/mol |
| Exact Mass | 582.29545371 g/mol |
| Topological Polar Surface Area (TPSA) | 123.00 Ų |
| XlogP | 4.30 |
| There are no found synonyms. |
![2D Structure of 9-(3,6-Dioxo-4-propan-2-yl-2,5,16-triazatetracyclo[7.7.0.02,7.010,15]hexadeca-10,12,14-trien-9-yl)-4-(2-methylpropyl)-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/b9cd2a80-86c6-11ee-99c5-f90f3c7775e9.jpg "2D Structure of 9-(3,6-Dioxo-4-propan-2-yl-2,5,16-triazatetracyclo[7.7.0.02,7.010,15]hexadeca-10,12,14-trien-9-yl)-4-(2-methylpropyl)-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 |
|---|---|---|---|---|
| CHEMBL2581 | P07339 | Cathepsin D | 98.77% | 98.95% |
| CHEMBL1937 | Q92769 | Histone deacetylase 2 | 97.92% | 94.75% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 97.87% | 96.09% |
| CHEMBL3524 | P56524 | Histone deacetylase 4 | 96.30% | 92.97% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 93.78% | 91.11% |
| CHEMBL3310 | Q96DB2 | Histone deacetylase 11 | 93.03% | 88.56% |
| CHEMBL5103 | Q969S8 | Histone deacetylase 10 | 92.52% | 90.08% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 91.38% | 95.56% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 91.08% | 85.14% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 90.00% | 97.09% |
| CHEMBL4026 | P40763 | Signal transducer and activator of transcription 3 | 86.68% | 82.69% |
| CHEMBL5966 | P55899 | IgG receptor FcRn large subunit p51 | 84.87% | 90.93% |
| CHEMBL3869 | P50281 | Matrix metalloproteinase 14 | 83.86% | 93.10% |
| CHEMBL4478 | Q00975 | Voltage-gated N-type calcium channel alpha-1B subunit | 82.48% | 97.14% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 80.78% | 94.45% |
| CHEMBL1949 | P62937 | Cyclophilin A | 80.08% | 98.57% |
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 | 72827368 |
| LOTUS | LTS0071855 |
| wikiData | Q104170009 |