2-(1,2-Dihydroxy-2-methylpropyl)-6-(1-hydroxy-2-methylpropyl)-1,5-dihydropyrrolo[2,3-f]indole-4,8-dione
| Internal ID | 153d96ff-d950-466c-b4e7-61f729ebced8 |
| Taxonomy | Organoheterocyclic compounds > Indoles and derivatives > Pyrroloindoles |
| IUPAC Name | 2-(1,2-dihydroxy-2-methylpropyl)-6-(1-hydroxy-2-methylpropyl)-1,5-dihydropyrrolo[2,3-f]indole-4,8-dione |
| SMILES (Canonical) | |
| SMILES (Isomeric) | |
| InChI | InChI=1S/C18H22N2O5/c1-7(2)14(21)10-5-8-12(19-10)16(23)9-6-11(17(24)18(3,4)25)20-13(9)15(8)22/h5-7,14,17,19-21,24-25H,1-4H3 |
| InChI Key | NYJOLGKNCIXTSU-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C18H22N2O5 |
| Molecular Weight | 346.40 g/mol |
| Exact Mass | 346.15287181 g/mol |
| Topological Polar Surface Area (TPSA) | 126.00 Ų |
| XlogP | 0.70 |
| There are no found synonyms. |
![2D Structure of 2-(1,2-Dihydroxy-2-methylpropyl)-6-(1-hydroxy-2-methylpropyl)-1,5-dihydropyrrolo[2,3-f]indole-4,8-dione](https://plantaedb.com/storage/docs/compounds/2023/11/bb8b8140-856d-11ee-8472-7784f94749a2.jpg "2D Structure of 2-(1,2-Dihydroxy-2-methylpropyl)-6-(1-hydroxy-2-methylpropyl)-1,5-dihydropyrrolo[2,3-f]indole-4,8-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 |
|---|---|---|---|---|
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 99.30% | 85.14% |
| CHEMBL2581 | P07339 | Cathepsin D | 98.78% | 98.95% |
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 93.55% | 97.25% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 91.25% | 95.56% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 90.97% | 94.73% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 90.12% | 96.09% |
| CHEMBL1937 | Q92769 | Histone deacetylase 2 | 89.37% | 94.75% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 88.08% | 89.00% |
| CHEMBL2535 | P11166 | Glucose transporter | 87.50% | 98.75% |
| CHEMBL1907600 | Q00535 | Cyclin-dependent kinase 5/CDK5 activator 1 | 85.19% | 93.03% |
| CHEMBL3359 | P21462 | Formyl peptide receptor 1 | 81.61% | 93.56% |
| CHEMBL1907594 | P30926 | Neuronal acetylcholine receptor; alpha3/beta4 | 81.31% | 97.23% |
| CHEMBL5845 | P23415 | Glycine receptor subunit alpha-1 | 80.77% | 90.71% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 80.15% | 94.45% |
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 | 72979642 |
| LOTUS | LTS0128954 |
| wikiData | Q104193130 |