7-(4-Methoxybenzyl)-4,5,6,7-tetrahydro-1,3-oxazepine-5,6-diol
| Internal ID | 73cb63dc-19f7-45b7-a715-09269323ae22 |
| Taxonomy | Benzenoids > Phenol ethers > Anisoles |
| IUPAC Name | (5S,6S,7S)-7-[(4-methoxyphenyl)methyl]-4,5,6,7-tetrahydro-1,3-oxazepine-5,6-diol |
| SMILES (Canonical) | |
| SMILES (Isomeric) | |
| InChI | InChI=1S/C13H17NO4/c1-17-10-4-2-9(3-5-10)6-12-13(16)11(15)7-14-8-18-12/h2-5,8,11-13,15-16H,6-7H2,1H3/t11-,12-,13-/m0/s1 |
| InChI Key | PSOWXBQDNJUQLW-AVGNSLFASA-N |
| Popularity | 2 references in papers |
| Molecular Formula | C13H17NO4 |
| Molecular Weight | 251.28 g/mol |
| Exact Mass | 251.11575802 g/mol |
| Topological Polar Surface Area (TPSA) | 71.30 Ų |
| XlogP | 0.60 |
| (5S,6S,7S)-7-((4-methoxyphenyl)methyl)-4,5,6,7-tetrahydro-1,3-oxazepine-5,6-diol |
| (5S,6S,7S)-7-[(4-methoxyphenyl)methyl]-4,5,6,7-tetrahydro-1,3-oxazepine-5,6-diol |
| RefChem:105708 |
| 7-MTOD CPD |
| CHEBI:225380 |
| 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 | 98.24% | 96.09% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 93.06% | 94.00% |
| CHEMBL2581 | P07339 | Cathepsin D | 89.32% | 98.95% |
| CHEMBL2373 | P21730 | C5a anaphylatoxin chemotactic receptor | 88.81% | 92.62% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 88.31% | 91.11% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 88.25% | 97.09% |
| CHEMBL1907603 | Q05586 | Glutamate NMDA receptor; GRIN1/GRIN2B | 88.21% | 95.89% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 88.18% | 95.89% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 87.70% | 94.45% |
| CHEMBL221 | P23219 | Cyclooxygenase-1 | 86.40% | 90.17% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 83.46% | 99.17% |
| CHEMBL4208 | P20618 | Proteasome component C5 | 82.79% | 90.00% |
| CHEMBL3091268 | Q92753 | Nuclear receptor ROR-beta | 82.22% | 95.50% |
| CHEMBL3192 | Q9BY41 | Histone deacetylase 8 | 81.94% | 93.99% |
| CHEMBL226 | P30542 | Adenosine A1 receptor | 81.65% | 95.93% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 80.24% | 95.56% |
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.
| There are no matching plants. |
| PubChem | 56954718 |
| LOTUS | LTS0096143 |
| wikiData | Q77510330 |