2-(1H-indol-3-yl)-3,6-dimethoxy-5-[2-(2-methylbut-3-en-2-yl)-7-(3-methylbut-2-enyl)-1H-indol-3-yl]cyclohexa-2,5-diene-1,4-dione
| Internal ID | 63458d05-d9b7-427e-ad45-ae9ef719d48d |
| Taxonomy | Lipids and lipid-like molecules > Prenol lipids > Quinone and hydroquinone lipids > Prenylquinones |
| IUPAC Name | 2-(1H-indol-3-yl)-3,6-dimethoxy-5-[2-(2-methylbut-3-en-2-yl)-7-(3-methylbut-2-enyl)-1H-indol-3-yl]cyclohexa-2,5-diene-1,4-dione |
| SMILES (Canonical) | |
| SMILES (Isomeric) | |
| InChI | InChI=1S/C34H34N2O4/c1-8-34(4,5)33-25(22-14-11-12-20(28(22)36-33)17-16-19(2)3)27-30(38)31(39-6)26(29(37)32(27)40-7)23-18-35-24-15-10-9-13-21(23)24/h8-16,18,35-36H,1,17H2,2-7H3 |
| InChI Key | YJSKZPJMAWLHMN-UHFFFAOYSA-N |
| Popularity | 3 references in papers |
| Molecular Formula | C34H34N2O4 |
| Molecular Weight | 534.60 g/mol |
| Exact Mass | 534.25185757 g/mol |
| Topological Polar Surface Area (TPSA) | 84.20 Ų |
| XlogP | 7.80 |
| There are no found synonyms. |
![2D Structure of 2-(1H-indol-3-yl)-3,6-dimethoxy-5-[2-(2-methylbut-3-en-2-yl)-7-(3-methylbut-2-enyl)-1H-indol-3-yl]cyclohexa-2,5-diene-1,4-dione](https://plantaedb.com/storage/docs/compounds/2023/11/6296ab50-86ec-11ee-9782-07b712c9d0cc.jpg "2D Structure of 2-(1H-indol-3-yl)-3,6-dimethoxy-5-[2-(2-methylbut-3-en-2-yl)-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 |
|---|---|---|---|---|
| CHEMBL2581 | P07339 | Cathepsin D | 98.99% | 98.95% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 98.37% | 91.11% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 96.92% | 95.56% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 94.12% | 94.73% |
| CHEMBL255 | P29275 | Adenosine A2b receptor | 91.72% | 98.59% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 90.42% | 96.09% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 89.77% | 94.45% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 89.60% | 99.23% |
| CHEMBL2708 | Q16584 | Mitogen-activated protein kinase kinase kinase 11 | 89.51% | 81.14% |
| CHEMBL1907600 | Q00535 | Cyclin-dependent kinase 5/CDK5 activator 1 | 89.31% | 93.03% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 88.90% | 86.33% |
| CHEMBL2535 | P11166 | Glucose transporter | 88.21% | 98.75% |
| CHEMBL213 | P08588 | Beta-1 adrenergic receptor | 86.52% | 95.56% |
| CHEMBL2378 | P30307 | Dual specificity phosphatase Cdc25C | 86.44% | 96.67% |
| CHEMBL240 | Q12809 | HERG | 85.75% | 89.76% |
| CHEMBL3192 | Q9BY41 | Histone deacetylase 8 | 85.24% | 93.99% |
| CHEMBL2373 | P21730 | C5a anaphylatoxin chemotactic receptor | 84.28% | 92.62% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 83.66% | 94.00% |
| CHEMBL1951 | P21397 | Monoamine oxidase A | 83.45% | 91.49% |
| CHEMBL3310 | Q96DB2 | Histone deacetylase 11 | 82.24% | 88.56% |
| CHEMBL4225 | P49760 | Dual specificity protein kinase CLK2 | 81.16% | 80.96% |
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 81.04% | 97.25% |
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 | 71440487 |
| LOTUS | LTS0229029 |
| wikiData | Q105349457 |