17-Hydroxy-5,6-dimethoxy-2-oxa-11-azatetracyclo[8.7.1.03,8.014,18]octadeca-1(17),3,5,7,10,12,14(18),15-octaen-9-one
| Internal ID | 8ab7ff35-8cf7-44cf-888a-aa343f5bb3cd |
| Taxonomy | Organoheterocyclic compounds > Benzoxepines > Dibenzoxepines |
| IUPAC Name | 17-hydroxy-5,6-dimethoxy-2-oxa-11-azatetracyclo[8.7.1.03,8.014,18]octadeca-1(17),3,5,7,10,12,14(18),15-octaen-9-one |
| SMILES (Canonical) | COC1=C(C=C2C(=C1)C(=O)C3=NC=CC4=C3C(=C(C=C4)O)O2)OC |
| SMILES (Isomeric) | COC1=C(C=C2C(=C1)C(=O)C3=NC=CC4=C3C(=C(C=C4)O)O2)OC |
| InChI | InChI=1S/C18H13NO5/c1-22-13-7-10-12(8-14(13)23-2)24-18-11(20)4-3-9-5-6-19-16(15(9)18)17(10)21/h3-8,20H,1-2H3 |
| InChI Key | OOEMAMHGESSNJK-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C18H13NO5 |
| Molecular Weight | 323.30 g/mol |
| Exact Mass | 323.07937252 g/mol |
| Topological Polar Surface Area (TPSA) | 77.90 Ų |
| XlogP | 3.10 |
| There are no found synonyms. |
![2D Structure of 17-Hydroxy-5,6-dimethoxy-2-oxa-11-azatetracyclo[8.7.1.03,8.014,18]octadeca-1(17),3,5,7,10,12,14(18),15-octaen-9-one](https://plantaedb.com/storage/docs/compounds/2023/11/f5aadd70-84e8-11ee-acef-cf13075d0af1.jpg "2D Structure of 17-Hydroxy-5,6-dimethoxy-2-oxa-11-azatetracyclo[8.7.1.03,8.014,18]octadeca-1(17),3,5,7,10,12,14(18),15-octaen-9-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 |
|---|---|---|---|---|
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 99.11% | 91.11% |
| CHEMBL1951 | P21397 | Monoamine oxidase A | 98.65% | 91.49% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 97.79% | 94.00% |
| CHEMBL2535 | P11166 | Glucose transporter | 95.76% | 98.75% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 94.87% | 89.00% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 94.64% | 99.23% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 93.95% | 85.14% |
| CHEMBL241 | Q14432 | Phosphodiesterase 3A | 91.71% | 92.94% |
| CHEMBL1860 | P10827 | Thyroid hormone receptor alpha | 89.32% | 99.15% |
| CHEMBL4306 | P22460 | Voltage-gated potassium channel subunit Kv1.5 | 88.95% | 94.03% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 88.81% | 99.17% |
| CHEMBL3864 | Q06124 | Protein-tyrosine phosphatase 2C | 88.67% | 94.42% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 87.64% | 94.45% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 87.63% | 86.33% |
| CHEMBL5845 | P23415 | Glycine receptor subunit alpha-1 | 87.01% | 90.71% |
| CHEMBL1937 | Q92769 | Histone deacetylase 2 | 86.75% | 94.75% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 86.41% | 95.56% |
| CHEMBL225 | P28335 | Serotonin 2c (5-HT2c) receptor | 85.24% | 89.62% |
| CHEMBL2378 | P30307 | Dual specificity phosphatase Cdc25C | 84.51% | 96.67% |
| CHEMBL1868 | P17948 | Vascular endothelial growth factor receptor 1 | 84.35% | 96.47% |
| CHEMBL2107 | P61073 | C-X-C chemokine receptor type 4 | 84.27% | 93.10% |
| CHEMBL2581 | P07339 | Cathepsin D | 82.82% | 98.95% |
| CHEMBL290 | Q13370 | Phosphodiesterase 3B | 82.60% | 94.00% |
| CHEMBL5409 | Q8TDU6 | G-protein coupled bile acid receptor 1 | 81.66% | 93.65% |
| CHEMBL2094127 | P06493 | Cyclin-dependent kinase 1/cyclin B | 81.41% | 96.00% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 81.23% | 94.73% |
| CHEMBL5339 | Q5NUL3 | G-protein coupled receptor 120 | 80.32% | 95.78% |
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.
| Sarcocapnos crassifolia |
| PubChem | 14194067 |
| LOTUS | LTS0196123 |
| wikiData | Q105195330 |