PM-53
| Internal ID | ca969077-04ce-485e-b566-137ecdd573f4 |
| Taxonomy | Organoheterocyclic compounds > Indoles and derivatives > Indoles |
| IUPAC Name | 2-(1H-indol-3-yl)-3,6-dimethoxy-5-[5-[(1E)-3-methylbuta-1,3-dienyl]-1H-indol-3-yl]cyclohexa-2,5-diene-1,4-dione |
| SMILES (Canonical) | |
| SMILES (Isomeric) | |
| InChI | InChI=1S/C29H24N2O4/c1-16(2)9-10-17-11-12-23-19(13-17)21(15-31-23)25-27(33)28(34-3)24(26(32)29(25)35-4)20-14-30-22-8-6-5-7-18(20)22/h5-15,30-31H,1H2,2-4H3/b10-9+ |
| InChI Key | CTZVPYADWNUQLM-MDZDMXLPSA-N |
| Popularity | 1 reference in papers |
| Molecular Formula | C29H24N2O4 |
| Molecular Weight | 464.50 g/mol |
| Exact Mass | 464.17360725 g/mol |
| Topological Polar Surface Area (TPSA) | 84.20 Ų |
| XlogP | 6.00 |
| 198992-52-8 |
| 2-(1H-Indol-3-yl)-3,6-dimethoxy-5-(5-((1E)-3-methylbuta-1,3-dienyl)-1H-indol-3-yl)cyclohexa-2,5-diene-1,4-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 | 99.29% | 91.11% |
| CHEMBL1951 | P21397 | Monoamine oxidase A | 99.24% | 91.49% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 97.78% | 95.56% |
| CHEMBL2581 | P07339 | Cathepsin D | 95.93% | 98.95% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 95.12% | 89.00% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 91.95% | 86.33% |
| CHEMBL2002 | P12268 | Inosine-5'-monophosphate dehydrogenase 2 | 90.39% | 98.21% |
| CHEMBL1075094 | Q16236 | Nuclear factor erythroid 2-related factor 2 | 90.07% | 96.00% |
| CHEMBL2708 | Q16584 | Mitogen-activated protein kinase kinase kinase 11 | 89.42% | 81.14% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 87.97% | 85.14% |
| CHEMBL1937 | Q92769 | Histone deacetylase 2 | 87.79% | 94.75% |
| CHEMBL2535 | P11166 | Glucose transporter | 87.77% | 98.75% |
| CHEMBL3524 | P56524 | Histone deacetylase 4 | 84.26% | 92.97% |
| CHEMBL2095172 | P14867 | GABA-A receptor; alpha-1/beta-2/gamma-2 | 83.65% | 92.67% |
| CHEMBL2288 | Q13526 | Peptidyl-prolyl cis-trans isomerase NIMA-interacting 1 | 83.12% | 91.71% |
| CHEMBL1868 | P17948 | Vascular endothelial growth factor receptor 1 | 81.71% | 96.47% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 81.03% | 94.45% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 80.69% | 96.09% |
| CHEMBL4225 | P49760 | Dual specificity protein kinase CLK2 | 80.36% | 80.96% |
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.
| Baccharis scandens |
| Brickellia veronicaefolia |
| PubChem | 6442233 |
| LOTUS | LTS0083490 |
| wikiData | Q105191482 |