3,5,13-Trioxa-11-azahexacyclo[9.9.2.02,6.08,21.014,22.015,20]docosa-1(21),2(6),7,15,17,19-hexaen-12-one
| Internal ID | 812d107b-e741-4712-ae46-cbda628b07e1 |
| Taxonomy | Alkaloids and derivatives > Aporphines |
| IUPAC Name | 3,5,13-trioxa-11-azahexacyclo[9.9.2.02,6.08,21.014,22.015,20]docosa-1(21),2(6),7,15,17,19-hexaen-12-one |
| SMILES (Canonical) | |
| SMILES (Isomeric) | |
| InChI | InChI=1S/C18H13NO4/c20-18-19-6-5-9-7-12-17(22-8-21-12)14-10-3-1-2-4-11(10)16(23-18)15(19)13(9)14/h1-4,7,15-16H,5-6,8H2 |
| InChI Key | WQKYWQBDZBTTAJ-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C18H13NO4 |
| Molecular Weight | 307.30 g/mol |
| Exact Mass | 307.08445790 g/mol |
| Topological Polar Surface Area (TPSA) | 48.00 Ų |
| XlogP | 2.50 |
| There are no found synonyms. |
![2D Structure of 3,5,13-Trioxa-11-azahexacyclo[9.9.2.02,6.08,21.014,22.015,20]docosa-1(21),2(6),7,15,17,19-hexaen-12-one](https://plantaedb.com/storage/docs/compounds/2023/11/66a13c20-8537-11ee-b7bd-efb4565f0e71.jpg "2D Structure of 3,5,13-Trioxa-11-azahexacyclo[9.9.2.02,6.08,21.014,22.015,20]docosa-1(21),2(6),7,15,17,19-hexaen-12-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 |
|---|---|---|---|---|
| CHEMBL5697 | Q9GZT9 | Egl nine homolog 1 | 97.45% | 93.40% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 96.82% | 91.11% |
| CHEMBL2581 | P07339 | Cathepsin D | 96.63% | 98.95% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 93.97% | 95.56% |
| CHEMBL4303 | P08238 | Heat shock protein HSP 90-beta | 91.59% | 96.77% |
| CHEMBL5311 | P37023 | Serine/threonine-protein kinase receptor R3 | 91.23% | 82.67% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 90.45% | 96.09% |
| CHEMBL1951 | P21397 | Monoamine oxidase A | 89.20% | 91.49% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 88.17% | 86.33% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 88.03% | 89.00% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 86.81% | 99.23% |
| CHEMBL6007 | O75762 | Transient receptor potential cation channel subfamily A member 1 | 85.69% | 92.17% |
| CHEMBL1841 | P06241 | Tyrosine-protein kinase FYN | 83.72% | 81.29% |
| CHEMBL4523377 | Q86WV6 | Stimulator of interferon genes protein | 83.35% | 95.48% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 82.71% | 97.09% |
| CHEMBL4296 | Q15858 | Sodium channel protein type IX alpha subunit | 82.20% | 96.11% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 81.30% | 95.89% |
| CHEMBL2373 | P21730 | C5a anaphylatoxin chemotactic receptor | 81.19% | 92.62% |
| CHEMBL2535 | P11166 | Glucose transporter | 80.83% | 98.75% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 80.82% | 100.00% |
| CHEMBL5805 | Q9NR97 | Toll-like receptor 8 | 80.73% | 96.25% |
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.
| Artabotrys hexapetalus |
| PubChem | 85281702 |
| LOTUS | LTS0089794 |
| wikiData | Q105310771 |