9,9,16,16,21,25-Hexamethyl-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)-tetraene-11,26-dione
| Internal ID | b185f133-0800-4f69-b899-713726807aeb |
| Taxonomy | Organoheterocyclic compounds > Quinolines and derivatives > Pyrroloquinolines |
| IUPAC Name | 9,9,16,16,21,25-hexamethyl-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)-tetraene-11,26-dione |
| SMILES (Canonical) | |
| SMILES (Isomeric) | |
| InChI | InChI=1S/C28H35N3O3/c1-15-9-27-12-20-26(4,5)23-17(10-28(20,14-31(27)13-15)30(6)24(27)33)16-7-8-19-21(22(16)29-23)18(32)11-25(2,3)34-19/h7-8,15,20,29H,9-14H2,1-6H3 |
| InChI Key | OJUDPWATXOUJOB-UHFFFAOYSA-N |
| Popularity | 2 references in papers |
| Molecular Formula | C28H35N3O3 |
| Molecular Weight | 461.60 g/mol |
| Exact Mass | 461.26784199 g/mol |
| Topological Polar Surface Area (TPSA) | 65.60 Ų |
| XlogP | 3.70 |
| There are no found synonyms. |
![2D Structure of 9,9,16,16,21,25-Hexamethyl-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)-tetraene-11,26-dione](https://plantaedb.com/storage/docs/compounds/2023/11/be36fc10-861d-11ee-b586-e95bb2cec9a3.jpg "2D Structure of 9,9,16,16,21,25-Hexamethyl-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)-tetraene-11,26-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 |
|---|---|---|---|---|
| CHEMBL2581 | P07339 | Cathepsin D | 98.81% | 98.95% |
| CHEMBL5697 | Q9GZT9 | Egl nine homolog 1 | 98.59% | 93.40% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 98.05% | 94.45% |
| CHEMBL4303 | P08238 | Heat shock protein HSP 90-beta | 97.75% | 96.77% |
| CHEMBL3192 | Q9BY41 | Histone deacetylase 8 | 94.64% | 93.99% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 93.79% | 96.09% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 93.05% | 89.00% |
| CHEMBL4481 | P35228 | Nitric oxide synthase, inducible | 92.66% | 94.80% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 92.57% | 99.23% |
| CHEMBL4224 | P49759 | Dual specificty protein kinase CLK1 | 92.49% | 85.30% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 91.99% | 95.56% |
| CHEMBL3310 | Q96DB2 | Histone deacetylase 11 | 89.55% | 88.56% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 88.27% | 97.09% |
| CHEMBL3746 | P80365 | 11-beta-hydroxysteroid dehydrogenase 2 | 88.07% | 94.78% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 87.84% | 91.11% |
| CHEMBL3880 | P07900 | Heat shock protein HSP 90-alpha | 87.74% | 96.21% |
| CHEMBL3922 | P50579 | Methionine aminopeptidase 2 | 87.02% | 97.28% |
| CHEMBL262 | P49841 | Glycogen synthase kinase-3 beta | 86.54% | 95.72% |
| CHEMBL5103 | Q969S8 | Histone deacetylase 10 | 84.14% | 90.08% |
| CHEMBL1937 | Q92769 | Histone deacetylase 2 | 83.58% | 94.75% |
| CHEMBL255 | P29275 | Adenosine A2b receptor | 82.38% | 98.59% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 81.49% | 94.00% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 80.64% | 100.00% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 80.47% | 85.14% |
| CHEMBL3038469 | P24941 | CDK2/Cyclin A | 80.26% | 91.38% |
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.
To see more specific details click the taxa you are interested in.
| There are no matching plants. |
| PubChem | 139585155 |
| LOTUS | LTS0207687 |
| wikiData | Q77384962 |