2-(1H-indol-3-yl)-3,6-dimethoxy-5-[2-(2-methylbut-3-en-2-yl)-1H-indol-3-yl]cyclohexa-2,5-diene-1,4-dione
| Internal ID | 6df1b785-621b-49a1-8b0f-87f169709741 |
| 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)-1H-indol-3-yl]cyclohexa-2,5-diene-1,4-dione |
| SMILES (Canonical) | |
| SMILES (Isomeric) | |
| InChI | InChI=1S/C29H26N2O4/c1-6-29(2,3)28-21(17-12-8-10-14-20(17)31-28)23-25(33)26(34-4)22(24(32)27(23)35-5)18-15-30-19-13-9-7-11-16(18)19/h6-15,30-31H,1H2,2-5H3 |
| InChI Key | VMGKCTQSPITGEV-UHFFFAOYSA-N |
| Popularity | 7 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 | 5.90 |
| CHEMBL467829 |
![2D Structure of 2-(1H-indol-3-yl)-3,6-dimethoxy-5-[2-(2-methylbut-3-en-2-yl)-1H-indol-3-yl]cyclohexa-2,5-diene-1,4-dione](https://plantaedb.com/storage/docs/compounds/2023/11/asterriquinone-c-1.jpg "2D Structure of 2-(1H-indol-3-yl)-3,6-dimethoxy-5-[2-(2-methylbut-3-en-2-yl)-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 |
|---|---|---|---|---|
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 97.80% | 95.56% |
| CHEMBL2581 | P07339 | Cathepsin D | 97.51% | 98.95% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 96.29% | 91.11% |
| CHEMBL2708 | Q16584 | Mitogen-activated protein kinase kinase kinase 11 | 95.16% | 81.14% |
| CHEMBL2002 | P12268 | Inosine-5'-monophosphate dehydrogenase 2 | 91.65% | 98.21% |
| CHEMBL1951 | P21397 | Monoamine oxidase A | 90.42% | 91.49% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 88.09% | 99.23% |
| CHEMBL1907600 | Q00535 | Cyclin-dependent kinase 5/CDK5 activator 1 | 87.93% | 93.03% |
| CHEMBL2378 | P30307 | Dual specificity phosphatase Cdc25C | 86.15% | 96.67% |
| CHEMBL240 | Q12809 | HERG | 85.80% | 89.76% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 85.62% | 94.73% |
| CHEMBL1907 | P15144 | Aminopeptidase N | 85.56% | 93.31% |
| CHEMBL1937 | Q92769 | Histone deacetylase 2 | 85.23% | 94.75% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 84.69% | 94.45% |
| CHEMBL2535 | P11166 | Glucose transporter | 84.34% | 98.75% |
| CHEMBL2085 | P14174 | Macrophage migration inhibitory factor | 84.24% | 80.78% |
| CHEMBL2095172 | P14867 | GABA-A receptor; alpha-1/beta-2/gamma-2 | 84.16% | 92.67% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 84.10% | 89.00% |
| CHEMBL4225 | P49760 | Dual specificity protein kinase CLK2 | 83.66% | 80.96% |
| CHEMBL3192 | Q9BY41 | Histone deacetylase 8 | 83.20% | 93.99% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 82.98% | 94.00% |
| CHEMBL2265 | P23141 | Acyl coenzyme A:cholesterol acyltransferase | 82.64% | 85.94% |
| CHEMBL3524 | P56524 | Histone deacetylase 4 | 82.58% | 92.97% |
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 | 23247889 |
| LOTUS | LTS0216188 |
| wikiData | Q105288973 |