4-Hydroxy-8,8-dimethyl-7,16-diazapentacyclo[9.6.1.02,9.03,7.015,18]octadeca-1(17),11(18),12,14-tetraen-6-one
| Internal ID | 368c3225-94a8-4390-852f-190a391e407b |
| Taxonomy | Organoheterocyclic compounds > Indoles and derivatives > Indoles > 3-alkylindoles |
| IUPAC Name | 4-hydroxy-8,8-dimethyl-7,16-diazapentacyclo[9.6.1.02,9.03,7.015,18]octadeca-1(17),11(18),12,14-tetraen-6-one |
| SMILES (Canonical) | |
| SMILES (Isomeric) | |
| InChI | InChI=1S/C18H20N2O2/c1-18(2)11-6-9-4-3-5-12-15(9)10(8-19-12)16(11)17-13(21)7-14(22)20(17)18/h3-5,8,11,13,16-17,19,21H,6-7H2,1-2H3 |
| InChI Key | SMXNLCYMHFJNLF-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C18H20N2O2 |
| Molecular Weight | 296.40 g/mol |
| Exact Mass | 296.152477885 g/mol |
| Topological Polar Surface Area (TPSA) | 56.30 Ų |
| XlogP | 1.40 |
| There are no found synonyms. |
![2D Structure of 4-Hydroxy-8,8-dimethyl-7,16-diazapentacyclo[9.6.1.02,9.03,7.015,18]octadeca-1(17),11(18),12,14-tetraen-6-one](https://plantaedb.com/storage/docs/compounds/2023/11/6b0a7ad0-874b-11ee-89d4-e74729c6caf0.jpg "2D Structure of 4-Hydroxy-8,8-dimethyl-7,16-diazapentacyclo[9.6.1.02,9.03,7.015,18]octadeca-1(17),11(18),12,14-tetraen-6-one")
| 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 | 98.71% | 85.14% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 97.78% | 94.45% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 97.08% | 96.09% |
| CHEMBL2581 | P07339 | Cathepsin D | 96.83% | 98.95% |
| CHEMBL4040 | P28482 | MAP kinase ERK2 | 93.86% | 83.82% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 93.76% | 97.09% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 93.51% | 95.56% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 93.25% | 91.11% |
| CHEMBL217 | P14416 | Dopamine D2 receptor | 92.45% | 95.62% |
| CHEMBL1907600 | Q00535 | Cyclin-dependent kinase 5/CDK5 activator 1 | 89.23% | 93.03% |
| CHEMBL2095226 | P05556 | Integrin alpha-5/beta-1 | 88.69% | 96.39% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 88.53% | 95.89% |
| CHEMBL3310 | Q96DB2 | Histone deacetylase 11 | 88.20% | 88.56% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 87.03% | 100.00% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 84.31% | 89.00% |
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 83.17% | 97.25% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 83.11% | 99.23% |
| CHEMBL3192 | Q9BY41 | Histone deacetylase 8 | 82.14% | 93.99% |
| CHEMBL1902 | P62942 | FK506-binding protein 1A | 80.18% | 97.05% |
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 | 163074840 |
| LOTUS | LTS0130587 |
| wikiData | Q104197448 |