12-Hydroxy-1-(2-methylbut-3-en-2-yl)-2,8,19-triazapentacyclo[10.7.0.02,10.04,8.013,18]nonadeca-13,15,17-triene-3,9-dione
| Internal ID | c38d6651-430d-45f7-9574-57021a41d3f5 |
| Taxonomy | Organoheterocyclic compounds > Indoles and derivatives > Pyrroloindoles |
| IUPAC Name | 12-hydroxy-1-(2-methylbut-3-en-2-yl)-2,8,19-triazapentacyclo[10.7.0.02,10.04,8.013,18]nonadeca-13,15,17-triene-3,9-dione |
| SMILES (Canonical) | CC(C)(C=C)C12C(CC3N1C(=O)C4CCCN4C3=O)(C5=CC=CC=C5N2)O |
| SMILES (Isomeric) | CC(C)(C=C)C12C(CC3N1C(=O)C4CCCN4C3=O)(C5=CC=CC=C5N2)O |
| InChI | InChI=1S/C21H25N3O3/c1-4-19(2,3)21-20(27,13-8-5-6-9-14(13)22-21)12-16-17(25)23-11-7-10-15(23)18(26)24(16)21/h4-6,8-9,15-16,22,27H,1,7,10-12H2,2-3H3 |
| InChI Key | YAQYEBABECUWBT-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C21H25N3O3 |
| Molecular Weight | 367.40 g/mol |
| Exact Mass | 367.18959167 g/mol |
| Topological Polar Surface Area (TPSA) | 72.90 Ų |
| XlogP | 2.10 |
| There are no found synonyms. |
![2D Structure of 12-Hydroxy-1-(2-methylbut-3-en-2-yl)-2,8,19-triazapentacyclo[10.7.0.02,10.04,8.013,18]nonadeca-13,15,17-triene-3,9-dione](https://plantaedb.com/storage/docs/compounds/2023/11/2cbd7240-84d8-11ee-867b-b30ef8a90879.jpg "2D Structure of 12-Hydroxy-1-(2-methylbut-3-en-2-yl)-2,8,19-triazapentacyclo[10.7.0.02,10.04,8.013,18]nonadeca-13,15,17-triene-3,9-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 |
|---|---|---|---|---|
| CHEMBL1902 | P62942 | FK506-binding protein 1A | 97.62% | 97.05% |
| CHEMBL2581 | P07339 | Cathepsin D | 96.78% | 98.95% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 96.61% | 95.56% |
| CHEMBL3524 | P56524 | Histone deacetylase 4 | 95.48% | 92.97% |
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 95.28% | 97.25% |
| CHEMBL4026 | P40763 | Signal transducer and activator of transcription 3 | 93.64% | 82.69% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 93.15% | 91.11% |
| CHEMBL1907600 | Q00535 | Cyclin-dependent kinase 5/CDK5 activator 1 | 92.03% | 93.03% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 90.61% | 95.89% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 90.33% | 97.09% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 88.14% | 96.09% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 87.33% | 86.33% |
| CHEMBL4208 | P20618 | Proteasome component C5 | 87.11% | 90.00% |
| CHEMBL4478 | Q00975 | Voltage-gated N-type calcium channel alpha-1B subunit | 85.40% | 97.14% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 84.08% | 99.23% |
| CHEMBL238 | Q01959 | Dopamine transporter | 83.78% | 95.88% |
| CHEMBL2069156 | Q14145 | Kelch-like ECH-associated protein 1 | 80.73% | 82.38% |
| CHEMBL217 | P14416 | Dopamine D2 receptor | 80.67% | 95.62% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 80.38% | 94.45% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 80.27% | 100.00% |
| CHEMBL3807 | P17706 | T-cell protein-tyrosine phosphatase | 80.03% | 93.00% |
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 | 13071613 |
| LOTUS | LTS0107205 |
| wikiData | Q105345524 |