3-[[7,7-dimethyl-2-(2-methylbut-3-en-2-yl)-1H-pyrano[2,3-g]indol-3-yl]methylidene]piperazine-2,5-dione
| Internal ID | 8fb0387c-ec17-48d8-82cc-ee79c7aa4b79 |
| Taxonomy | Organoheterocyclic compounds > Benzopyrans > 1-benzopyrans > 2,2-dimethyl-1-benzopyrans |
| IUPAC Name | 3-[[7,7-dimethyl-2-(2-methylbut-3-en-2-yl)-1H-pyrano[2,3-g]indol-3-yl]methylidene]piperazine-2,5-dione |
| SMILES (Canonical) | |
| SMILES (Isomeric) | |
| InChI | InChI=1S/C23H25N3O3/c1-6-22(2,3)20-15(11-16-21(28)24-12-18(27)25-16)13-7-8-17-14(19(13)26-20)9-10-23(4,5)29-17/h6-11,26H,1,12H2,2-5H3,(H,24,28)(H,25,27) |
| InChI Key | YIQGITGRXJJWJG-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C23H25N3O3 |
| Molecular Weight | 391.50 g/mol |
| Exact Mass | 391.18959167 g/mol |
| Topological Polar Surface Area (TPSA) | 83.20 Ų |
| XlogP | 3.80 |
| There are no found synonyms. |
![2D Structure of 3-[[7,7-dimethyl-2-(2-methylbut-3-en-2-yl)-1H-pyrano[2,3-g]indol-3-yl]methylidene]piperazine-2,5-dione](https://plantaedb.com/storage/docs/compounds/2023/11/3ad4bd20-857d-11ee-bedf-a9a6ed2c721e.jpg "2D Structure of 3-[[7,7-dimethyl-2-(2-methylbut-3-en-2-yl)-1H-pyrano[2,3-g]indol-3-yl]methylidene]piperazine-2,5-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 |
|---|---|---|---|---|
| CHEMBL4224 | P49759 | Dual specificty protein kinase CLK1 | 98.23% | 85.30% |
| CHEMBL2581 | P07339 | Cathepsin D | 97.81% | 98.95% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 96.81% | 94.45% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 96.25% | 91.11% |
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 95.25% | 97.25% |
| CHEMBL1907605 | P24864 | Cyclin-dependent kinase 2/cyclin E1 | 95.25% | 92.88% |
| CHEMBL4225 | P49760 | Dual specificity protein kinase CLK2 | 94.55% | 80.96% |
| CHEMBL3310 | Q96DB2 | Histone deacetylase 11 | 94.42% | 88.56% |
| CHEMBL3524 | P56524 | Histone deacetylase 4 | 94.12% | 92.97% |
| CHEMBL3192 | Q9BY41 | Histone deacetylase 8 | 94.12% | 93.99% |
| CHEMBL1937 | Q92769 | Histone deacetylase 2 | 93.27% | 94.75% |
| CHEMBL4303 | P08238 | Heat shock protein HSP 90-beta | 92.97% | 96.77% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 92.49% | 95.56% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 91.38% | 89.00% |
| CHEMBL2708 | Q16584 | Mitogen-activated protein kinase kinase kinase 11 | 91.26% | 81.14% |
| CHEMBL4481 | P35228 | Nitric oxide synthase, inducible | 90.36% | 94.80% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 88.05% | 94.73% |
| CHEMBL5103 | Q969S8 | Histone deacetylase 10 | 87.72% | 90.08% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 87.47% | 99.23% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 86.54% | 96.09% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 86.28% | 100.00% |
| CHEMBL2335 | P42785 | Lysosomal Pro-X carboxypeptidase | 85.23% | 100.00% |
| CHEMBL5697 | Q9GZT9 | Egl nine homolog 1 | 84.38% | 93.40% |
| CHEMBL255 | P29275 | Adenosine A2b receptor | 83.18% | 98.59% |
| CHEMBL4478 | Q00975 | Voltage-gated N-type calcium channel alpha-1B subunit | 81.94% | 97.14% |
| CHEMBL2095226 | P05556 | Integrin alpha-5/beta-1 | 81.51% | 96.39% |
| CHEMBL325 | Q13547 | Histone deacetylase 1 | 80.81% | 95.92% |
| CHEMBL1951 | P21397 | Monoamine oxidase A | 80.29% | 91.49% |
| CHEMBL4829 | O00763 | Acetyl-CoA carboxylase 2 | 80.18% | 98.00% |
Below are displayed all the plants proven (via scientific papers) to contain this
compound!
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| There are no matching plants. |
| PubChem | 75295525 |
| LOTUS | LTS0043105 |
| wikiData | Q77561143 |