N-methyl-2-(1,2,10-trimethoxybenzo[b][1]benzoxepin-7-yl)ethanamine
| Internal ID | 2eb39d79-f083-4f75-8ab2-d8c0bf8e2def |
| Taxonomy | Organoheterocyclic compounds > Benzoxepines > Dibenzoxepines |
| IUPAC Name | N-methyl-2-(1,2,10-trimethoxybenzo[b][1]benzoxepin-7-yl)ethanamine |
| SMILES (Canonical) | CNCCC1=C2C=CC3=C(C(=C(C=C3)OC)OC)OC2=C(C=C1)OC |
| SMILES (Isomeric) | CNCCC1=C2C=CC3=C(C(=C(C=C3)OC)OC)OC2=C(C=C1)OC |
| InChI | InChI=1S/C20H23NO4/c1-21-12-11-13-6-9-16(22-2)19-15(13)8-5-14-7-10-17(23-3)20(24-4)18(14)25-19/h5-10,21H,11-12H2,1-4H3 |
| InChI Key | JADHMUPTWPBTMT-UHFFFAOYSA-N |
| Popularity | 1 reference in papers |
| Molecular Formula | C20H23NO4 |
| Molecular Weight | 341.40 g/mol |
| Exact Mass | 341.16270821 g/mol |
| Topological Polar Surface Area (TPSA) | 49.00 Ų |
| XlogP | 3.70 |
| There are no found synonyms. |
![2D Structure of N-methyl-2-(1,2,10-trimethoxybenzo[b][1]benzoxepin-7-yl)ethanamine](https://plantaedb.com/storage/docs/compounds/2023/11/n-methyl-2-1210-trimethoxybenzob1benzoxepin-7-ylethanamine.jpg "2D Structure of N-methyl-2-(1,2,10-trimethoxybenzo[b][1]benzoxepin-7-yl)ethanamine")
| 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 | 94.14% | 96.09% |
| CHEMBL225 | P28335 | Serotonin 2c (5-HT2c) receptor | 92.30% | 89.62% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 90.15% | 94.00% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 89.27% | 91.11% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 87.18% | 99.17% |
| CHEMBL1255126 | O15151 | Protein Mdm4 | 87.13% | 90.20% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 86.91% | 94.73% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 86.07% | 86.33% |
| CHEMBL1075094 | Q16236 | Nuclear factor erythroid 2-related factor 2 | 86.07% | 96.00% |
| CHEMBL5014 | O43353 | Serine/threonine-protein kinase RIPK2 | 83.09% | 86.79% |
| CHEMBL235 | P37231 | Peroxisome proliferator-activated receptor gamma | 82.82% | 95.39% |
| CHEMBL4208 | P20618 | Proteasome component C5 | 81.42% | 90.00% |
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 enneaphylla |
| PubChem | 13857094 |
| LOTUS | LTS0203623 |
| wikiData | Q105123695 |