2-(1H-indol-3-yl)-3,6-dimethoxy-5-[7-(3-methylbut-2-enyl)-1H-indol-3-yl]cyclohexa-2,5-diene-1,4-dione
| Internal ID | 602df64e-36c4-4712-b3d8-a17b161512f9 |
| Taxonomy | Organoheterocyclic compounds > Indoles and derivatives > Indoles |
| IUPAC Name | 2-(1H-indol-3-yl)-3,6-dimethoxy-5-[7-(3-methylbut-2-enyl)-1H-indol-3-yl]cyclohexa-2,5-diene-1,4-dione |
| SMILES (Canonical) | |
| SMILES (Isomeric) | |
| InChI | InChI=1S/C29H26N2O4/c1-16(2)12-13-17-8-7-10-19-21(15-31-25(17)19)24-27(33)28(34-3)23(26(32)29(24)35-4)20-14-30-22-11-6-5-9-18(20)22/h5-12,14-15,30-31H,13H2,1-4H3 |
| InChI Key | FABIJJMKSJBJCJ-UHFFFAOYSA-N |
| Popularity | 3 references in papers |
| Molecular Formula | C29H26N2O4 |
| Molecular Weight | 466.50 g/mol |
| Exact Mass | 466.18925731 g/mol |
| Topological Polar Surface Area (TPSA) | 84.20 Ų |
| XlogP | 5.80 |
| There are no found synonyms. |
![2D Structure of 2-(1H-indol-3-yl)-3,6-dimethoxy-5-[7-(3-methylbut-2-enyl)-1H-indol-3-yl]cyclohexa-2,5-diene-1,4-dione](https://plantaedb.com/storage/docs/compounds/2023/11/9c1404e0-855b-11ee-97ba-f320cfc6cd40.jpg "2D Structure of 2-(1H-indol-3-yl)-3,6-dimethoxy-5-[7-(3-methylbut-2-enyl)-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 | 98.05% | 91.11% |
| CHEMBL2581 | P07339 | Cathepsin D | 97.38% | 98.95% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 96.97% | 95.56% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 91.61% | 96.09% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 91.45% | 94.73% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 88.57% | 86.33% |
| CHEMBL255 | P29275 | Adenosine A2b receptor | 88.55% | 98.59% |
| CHEMBL2535 | P11166 | Glucose transporter | 87.87% | 98.75% |
| CHEMBL1951 | P21397 | Monoamine oxidase A | 87.58% | 91.49% |
| CHEMBL1937 | Q92769 | Histone deacetylase 2 | 85.72% | 94.75% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 85.30% | 99.23% |
| CHEMBL1075094 | Q16236 | Nuclear factor erythroid 2-related factor 2 | 85.19% | 96.00% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 83.45% | 94.45% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 83.33% | 94.00% |
| CHEMBL2373 | P21730 | C5a anaphylatoxin chemotactic receptor | 82.44% | 92.62% |
| CHEMBL1907600 | Q00535 | Cyclin-dependent kinase 5/CDK5 activator 1 | 82.28% | 93.03% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 80.26% | 89.00% |
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 | 71440488 |
| LOTUS | LTS0122359 |
| wikiData | Q104992145 |