1-[2-(Dimethylamino)ethyl]-4,6,7-trimethoxydibenz[b,f]oxepin
| Internal ID | b5dac22f-188e-4720-9fc1-23c61a3ccec4 |
| Taxonomy | Organoheterocyclic compounds > Benzoxepines > Dibenzoxepines |
| IUPAC Name | N,N-dimethyl-2-(1,2,10-trimethoxybenzo[b][1]benzoxepin-7-yl)ethanamine |
| SMILES (Canonical) | CN(C)CCC1=C2C=CC3=C(C(=C(C=C3)OC)OC)OC2=C(C=C1)OC |
| SMILES (Isomeric) | CN(C)CCC1=C2C=CC3=C(C(=C(C=C3)OC)OC)OC2=C(C=C1)OC |
| InChI | InChI=1S/C21H25NO4/c1-22(2)13-12-14-7-10-17(23-3)20-16(14)9-6-15-8-11-18(24-4)21(25-5)19(15)26-20/h6-11H,12-13H2,1-5H3 |
| InChI Key | OKTZGJJABWSKMT-UHFFFAOYSA-N |
| Popularity | 1 reference in papers |
| Molecular Formula | C21H25NO4 |
| Molecular Weight | 355.40 g/mol |
| Exact Mass | 355.17835828 g/mol |
| Topological Polar Surface Area (TPSA) | 40.20 Ų |
| XlogP | 4.20 |
| 1-[2-(Dimethylamino)ethyl]-4,6,7-trimethoxydibenz[b,f]oxepin |
| N,N-dimethyl-2-(1,2,10-trimethoxybenzo[b][1]benzoxepin-7-yl)ethanamine |
![2D Structure of 1-[2-(Dimethylamino)ethyl]-4,6,7-trimethoxydibenz[b,f]oxepin](https://plantaedb.com/storage/docs/compounds/2023/11/1-2-dimethylaminoethyl-467-trimethoxydibenzbfoxepin.jpg "2D Structure of 1-[2-(Dimethylamino)ethyl]-4,6,7-trimethoxydibenz[b,f]oxepin")
| 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 |
|---|---|---|---|---|
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 96.12% | 96.09% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 88.76% | 94.00% |
| CHEMBL225 | P28335 | Serotonin 2c (5-HT2c) receptor | 87.76% | 89.62% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 87.30% | 94.73% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 87.06% | 86.33% |
| CHEMBL1255126 | O15151 | Protein Mdm4 | 86.57% | 90.20% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 85.68% | 99.17% |
| CHEMBL1075094 | Q16236 | Nuclear factor erythroid 2-related factor 2 | 85.25% | 96.00% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 84.80% | 91.11% |
| CHEMBL2581 | P07339 | Cathepsin D | 83.43% | 98.95% |
| CHEMBL2373 | P21730 | C5a anaphylatoxin chemotactic receptor | 81.89% | 92.62% |
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 |
| Sarcocapnos enneaphylla |
| PubChem | 13857091 |
| LOTUS | LTS0131958 |
| wikiData | Q105193763 |