9,9,16,16-Tetramethyl-8-oxa-14,23,25-triazaheptacyclo[17.5.2.01,17.03,15.04,13.07,12.019,23]hexacosa-3(15),4(13),5,7(12),10-pentaen-26-one
| Internal ID | 8e57bc9f-cc5a-4933-85d4-326cb2402df6 |
| Taxonomy | Organoheterocyclic compounds > Quinolines and derivatives > Pyrroloquinolines |
| IUPAC Name | 9,9,16,16-tetramethyl-8-oxa-14,23,25-triazaheptacyclo[17.5.2.01,17.03,15.04,13.07,12.019,23]hexacosa-3(15),4(13),5,7(12),10-pentaen-26-one |
| SMILES (Canonical) | |
| SMILES (Isomeric) | |
| InChI | InChI=1S/C26H31N3O2/c1-23(2)10-8-16-18(31-23)7-6-15-17-12-25-14-29-11-5-9-26(29,22(30)28-25)13-19(25)24(3,4)21(17)27-20(15)16/h6-8,10,19,27H,5,9,11-14H2,1-4H3,(H,28,30) |
| InChI Key | JMBZQJZJAXXGDP-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C26H31N3O2 |
| Molecular Weight | 417.50 g/mol |
| Exact Mass | 417.24162724 g/mol |
| Topological Polar Surface Area (TPSA) | 57.40 Ų |
| XlogP | 4.00 |
| There are no found synonyms. |
![2D Structure of 9,9,16,16-Tetramethyl-8-oxa-14,23,25-triazaheptacyclo[17.5.2.01,17.03,15.04,13.07,12.019,23]hexacosa-3(15),4(13),5,7(12),10-pentaen-26-one](https://plantaedb.com/storage/docs/compounds/2023/11/45ab49b0-864d-11ee-a5dc-b9faac96aeb4.jpg "2D Structure of 9,9,16,16-Tetramethyl-8-oxa-14,23,25-triazaheptacyclo[17.5.2.01,17.03,15.04,13.07,12.019,23]hexacosa-3(15),4(13),5,7(12),10-pentaen-26-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 |
|---|---|---|---|---|
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 98.94% | 94.45% |
| CHEMBL5697 | Q9GZT9 | Egl nine homolog 1 | 97.66% | 93.40% |
| CHEMBL2581 | P07339 | Cathepsin D | 97.64% | 98.95% |
| CHEMBL4303 | P08238 | Heat shock protein HSP 90-beta | 95.92% | 96.77% |
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 95.81% | 97.25% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 95.17% | 96.09% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 94.19% | 91.11% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 93.03% | 97.09% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 91.42% | 95.56% |
| CHEMBL255 | P29275 | Adenosine A2b receptor | 91.17% | 98.59% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 90.98% | 85.14% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 90.10% | 89.00% |
| CHEMBL3192 | Q9BY41 | Histone deacetylase 8 | 89.94% | 93.99% |
| CHEMBL3351 | Q13085 | Acetyl-CoA carboxylase 1 | 89.01% | 93.04% |
| CHEMBL1937 | Q92769 | Histone deacetylase 2 | 88.48% | 94.75% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 88.15% | 99.23% |
| CHEMBL4224 | P49759 | Dual specificty protein kinase CLK1 | 86.99% | 85.30% |
| CHEMBL3310 | Q96DB2 | Histone deacetylase 11 | 86.89% | 88.56% |
| CHEMBL2916 | O14746 | Telomerase reverse transcriptase | 86.87% | 90.00% |
| CHEMBL4829 | O00763 | Acetyl-CoA carboxylase 2 | 86.11% | 98.00% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 85.45% | 95.89% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 84.65% | 100.00% |
| CHEMBL5103 | Q969S8 | Histone deacetylase 10 | 83.81% | 90.08% |
| CHEMBL3012 | Q13946 | Phosphodiesterase 7A | 83.38% | 99.29% |
| CHEMBL3155 | P34969 | Serotonin 7 (5-HT7) receptor | 83.29% | 90.71% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 82.77% | 94.00% |
| CHEMBL213 | P08588 | Beta-1 adrenergic receptor | 81.91% | 95.56% |
| CHEMBL1951 | P21397 | Monoamine oxidase A | 81.63% | 91.49% |
| CHEMBL3922 | P50579 | Methionine aminopeptidase 2 | 81.57% | 97.28% |
| CHEMBL2781 | P19634 | Sodium/hydrogen exchanger 1 | 81.11% | 90.24% |
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 | 162816548 |
| LOTUS | LTS0208984 |
| wikiData | Q104169671 |