5,7,20,21-Tetraoxa-14-azahexacyclo[16.2.1.02,10.04,8.011,15.011,19]henicosa-2,4(8),9,14-tetraene
| Internal ID | a995dd10-aac7-4d0c-983f-2b2f4bfcc7a6 |
| Taxonomy | Organoheterocyclic compounds > Benzopyrans > 2-benzopyrans |
| IUPAC Name | 5,7,20,21-tetraoxa-14-azahexacyclo[16.2.1.02,10.04,8.011,15.011,19]henicosa-2,4(8),9,14-tetraene |
| SMILES (Canonical) | |
| SMILES (Isomeric) | |
| InChI | InChI=1S/C16H15NO4/c1-2-13-16(3-4-17-13)9-6-12-11(18-7-19-12)5-8(9)15-20-10(1)14(16)21-15/h5-6,10,14-15H,1-4,7H2 |
| InChI Key | LYYZHTMIOBQOQX-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C16H15NO4 |
| Molecular Weight | 285.29 g/mol |
| Exact Mass | 285.10010796 g/mol |
| Topological Polar Surface Area (TPSA) | 49.30 Ų |
| XlogP | 0.70 |
| There are no found synonyms. |
![2D Structure of 5,7,20,21-Tetraoxa-14-azahexacyclo[16.2.1.02,10.04,8.011,15.011,19]henicosa-2,4(8),9,14-tetraene](https://plantaedb.com/storage/docs/compounds/2023/11/572021-tetraoxa-14-azahexacyclo162102100480111501119henicosa-248914-tetraene.jpg "2D Structure of 5,7,20,21-Tetraoxa-14-azahexacyclo[16.2.1.02,10.04,8.011,15.011,19]henicosa-2,4(8),9,14-tetraene")
| 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 |
|---|---|---|---|---|
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 96.54% | 91.11% |
| CHEMBL4303 | P08238 | Heat shock protein HSP 90-beta | 95.98% | 96.77% |
| CHEMBL5697 | Q9GZT9 | Egl nine homolog 1 | 95.82% | 93.40% |
| CHEMBL4225 | P49760 | Dual specificity protein kinase CLK2 | 92.76% | 80.96% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 90.54% | 94.45% |
| CHEMBL2373 | P21730 | C5a anaphylatoxin chemotactic receptor | 90.19% | 92.62% |
| CHEMBL3880 | P07900 | Heat shock protein HSP 90-alpha | 89.05% | 96.21% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 88.17% | 96.09% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 86.82% | 100.00% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 84.91% | 97.09% |
| CHEMBL4481 | P35228 | Nitric oxide synthase, inducible | 84.05% | 94.80% |
| CHEMBL5845 | P23415 | Glycine receptor subunit alpha-1 | 83.61% | 90.71% |
| CHEMBL5311 | P37023 | Serine/threonine-protein kinase receptor R3 | 83.22% | 82.67% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 82.74% | 95.89% |
| CHEMBL2094135 | Q96BI3 | Gamma-secretase | 82.40% | 98.05% |
| CHEMBL4145 | Q9UKV0 | Histone deacetylase 9 | 81.30% | 85.49% |
| CHEMBL3137261 | O14744 | PRMT5/MEP50 complex | 81.17% | 100.00% |
| CHEMBL261 | P00915 | Carbonic anhydrase I | 80.55% | 96.76% |
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.
| Crinum kirkii |
| PubChem | 163032168 |
| LOTUS | LTS0110685 |
| wikiData | Q105159687 |