3-[[2-(2-methylbut-3-en-2-yl)-1H-indol-3-yl]methylidene]-8-[3-[[2-(2-methylbut-3-en-2-yl)-1H-indol-3-yl]methylidene]-1,4-dioxo-6,7-dihydropyrrolo[1,2-a]pyrazin-8-yl]-6,7-dihydropyrrolo[1,2-a]pyrazine-1,4-dione
| Internal ID | fff25249-3cf1-4868-8229-47f2e001e303 |
| Taxonomy | Organoheterocyclic compounds > Pyrrolopyrazines |
| IUPAC Name | 3-[[2-(2-methylbut-3-en-2-yl)-1H-indol-3-yl]methylidene]-8-[3-[[2-(2-methylbut-3-en-2-yl)-1H-indol-3-yl]methylidene]-1,4-dioxo-6,7-dihydropyrrolo[1,2-a]pyrazin-8-yl]-6,7-dihydropyrrolo[1,2-a]pyrazine-1,4-dione |
| SMILES (Canonical) | |
| SMILES (Isomeric) | |
| InChI | InChI=1S/C42H40N6O4/c1-7-41(3,4)35-27(23-13-9-11-15-29(23)43-35)21-31-39(51)47-19-17-25(33(47)37(49)45-31)26-18-20-48-34(26)38(50)46-32(40(48)52)22-28-24-14-10-12-16-30(24)44-36(28)42(5,6)8-2/h7-16,21-22,43-44H,1-2,17-20H2,3-6H3,(H,45,49)(H,46,50) |
| InChI Key | PGXKQZMVWMPSQA-UHFFFAOYSA-N |
| Popularity | 2 references in papers |
| Molecular Formula | C42H40N6O4 |
| Molecular Weight | 692.80 g/mol |
| Exact Mass | 692.31110378 g/mol |
| Topological Polar Surface Area (TPSA) | 130.00 Ų |
| XlogP | 6.20 |
| There are no found synonyms. |
![2D Structure of 3-[[2-(2-methylbut-3-en-2-yl)-1H-indol-3-yl]methylidene]-8-[3-[[2-(2-methylbut-3-en-2-yl)-1H-indol-3-yl]methylidene]-1,4-dioxo-6,7-dihydropyrrolo[1,2-a]pyrazin-8-yl]-6,7-dihydropyrrolo[1,2-a]pyrazine-1,4-dione](https://plantaedb.com/storage/docs/compounds/2023/11/6e91f9c0-85b9-11ee-827d-f13c70590291.jpg "2D Structure of 3-[[2-(2-methylbut-3-en-2-yl)-1H-indol-3-yl]methylidene]-8-[3-[[2-(2-methylbut-3-en-2-yl)-1H-indol-3-yl]methylidene]-1,4-dioxo-6,7-dihydropyrrolo[1,2-a]pyrazin-8-yl]-6,7-dihydropyrrolo[1,2-a]pyrazine-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 | 98.81% | 95.56% |
| CHEMBL2581 | P07339 | Cathepsin D | 98.04% | 98.95% |
| CHEMBL5697 | Q9GZT9 | Egl nine homolog 1 | 95.80% | 93.40% |
| CHEMBL255 | P29275 | Adenosine A2b receptor | 93.52% | 98.59% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 91.57% | 99.23% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 88.20% | 89.00% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 88.20% | 96.09% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 88.07% | 91.11% |
| CHEMBL2708 | Q16584 | Mitogen-activated protein kinase kinase kinase 11 | 84.51% | 81.14% |
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 84.16% | 97.25% |
| CHEMBL3310 | Q96DB2 | Histone deacetylase 11 | 82.07% | 88.56% |
| CHEMBL2095226 | P05556 | Integrin alpha-5/beta-1 | 81.58% | 96.39% |
| CHEMBL5103 | Q969S8 | Histone deacetylase 10 | 80.74% | 90.08% |
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 | 77986767 |
| LOTUS | LTS0229726 |
| wikiData | Q104194717 |