12-Hydroxy-19,19-dimethyl-3,5,16,21-tetrazaheptacyclo[14.13.0.03,14.04,12.06,11.020,28.022,27]nonacosa-1(29),6,8,10,17,20(28),22,24,26-nonaene-2,15-dione
| Internal ID | 58cd7213-cca0-4828-9cc1-ca75ae4de5b9 |
| Taxonomy | Organoheterocyclic compounds > Indoles and derivatives > Pyrroloindoles |
| IUPAC Name | 12-hydroxy-19,19-dimethyl-3,5,16,21-tetrazaheptacyclo[14.13.0.03,14.04,12.06,11.020,28.022,27]nonacosa-1(29),6,8,10,17,20(28),22,24,26-nonaene-2,15-dione |
| SMILES (Canonical) | |
| SMILES (Isomeric) | |
| InChI | InChI=1S/C27H24N4O3/c1-26(2)11-12-30-20(13-16-15-7-3-5-9-18(15)28-22(16)26)24(33)31-21(23(30)32)14-27(34)17-8-4-6-10-19(17)29-25(27)31/h3-13,21,25,28-29,34H,14H2,1-2H3 |
| InChI Key | CTRNZLRKISVIAG-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C27H24N4O3 |
| Molecular Weight | 452.50 g/mol |
| Exact Mass | 452.18484064 g/mol |
| Topological Polar Surface Area (TPSA) | 88.70 Ų |
| XlogP | 3.50 |
| There are no found synonyms. |
![2D Structure of 12-Hydroxy-19,19-dimethyl-3,5,16,21-tetrazaheptacyclo[14.13.0.03,14.04,12.06,11.020,28.022,27]nonacosa-1(29),6,8,10,17,20(28),22,24,26-nonaene-2,15-dione](https://plantaedb.com/storage/docs/compounds/2023/11/a94d7460-83ce-11ee-81ae-e7b2b8370f2f.jpg "2D Structure of 12-Hydroxy-19,19-dimethyl-3,5,16,21-tetrazaheptacyclo[14.13.0.03,14.04,12.06,11.020,28.022,27]nonacosa-1(29),6,8,10,17,20(28),22,24,26-nonaene-2,15-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 | 98.40% | 91.11% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 96.97% | 96.09% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 96.61% | 85.14% |
| CHEMBL2581 | P07339 | Cathepsin D | 95.06% | 98.95% |
| CHEMBL3524 | P56524 | Histone deacetylase 4 | 93.93% | 92.97% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 93.59% | 94.45% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 92.32% | 95.56% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 92.05% | 99.23% |
| CHEMBL3310 | Q96DB2 | Histone deacetylase 11 | 91.41% | 88.56% |
| CHEMBL4026 | P40763 | Signal transducer and activator of transcription 3 | 90.46% | 82.69% |
| CHEMBL1937 | Q92769 | Histone deacetylase 2 | 89.42% | 94.75% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 86.13% | 89.00% |
| CHEMBL4208 | P20618 | Proteasome component C5 | 85.43% | 90.00% |
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 85.17% | 97.25% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 84.66% | 100.00% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 84.18% | 97.09% |
| CHEMBL2095226 | P05556 | Integrin alpha-5/beta-1 | 82.88% | 96.39% |
| CHEMBL1951 | P21397 | Monoamine oxidase A | 82.49% | 91.49% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 82.43% | 86.33% |
| CHEMBL4145 | Q9UKV0 | Histone deacetylase 9 | 80.73% | 85.49% |
| CHEMBL255 | P29275 | Adenosine A2b receptor | 80.51% | 98.59% |
| CHEMBL1902 | P62942 | FK506-binding protein 1A | 80.32% | 97.05% |
| CHEMBL5697 | Q9GZT9 | Egl nine homolog 1 | 80.26% | 93.40% |
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 | 85191264 |
| LOTUS | LTS0203471 |
| wikiData | Q103818024 |