10-Methoxy-9-methyl-8-(3-methylbut-2-enoxy)-1,3,4,5-tetrahydro-2,5-benzoxazocin-6-one
| Internal ID | b76dbad2-8dd8-4ba2-b80d-edd443441b61 |
| Taxonomy | Benzenoids > Phenol ethers > Anisoles |
| IUPAC Name | 10-methoxy-9-methyl-8-(3-methylbut-2-enoxy)-1,3,4,5-tetrahydro-2,5-benzoxazocin-6-one |
| SMILES (Canonical) | CC1=C(C=C2C(=C1OC)COCCNC2=O)OCC=C(C)C |
| SMILES (Isomeric) | CC1=C(C=C2C(=C1OC)COCCNC2=O)OCC=C(C)C |
| InChI | InChI=1S/C17H23NO4/c1-11(2)5-7-22-15-9-13-14(16(20-4)12(15)3)10-21-8-6-18-17(13)19/h5,9H,6-8,10H2,1-4H3,(H,18,19) |
| InChI Key | AZQSCCFUFHJMQW-UHFFFAOYSA-N |
| Popularity | 1 reference in papers |
| Molecular Formula | C17H23NO4 |
| Molecular Weight | 305.40 g/mol |
| Exact Mass | 305.16270821 g/mol |
| Topological Polar Surface Area (TPSA) | 56.80 Ų |
| XlogP | 2.40 |
| 10-methoxy-9-methyl-8-(3-methylbut-2-enoxy)-1,3,4,5-tetrahydro-2,5-benzoxazocin-6-one |
| 10-Methoxy-9-methyl-8-[(3-methyl-2-butenyl)oxy]-3,4,5,6-tetrahydro-1H-2,5-benzoxazocin-6-one |
| Q27108048 |
| 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 | 95.87% | 91.11% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 92.82% | 96.09% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 91.45% | 85.14% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 91.43% | 86.33% |
| CHEMBL2581 | P07339 | Cathepsin D | 90.71% | 98.95% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 90.14% | 94.00% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 89.17% | 94.45% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 88.96% | 99.17% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 88.40% | 97.09% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 88.22% | 89.00% |
| CHEMBL1937 | Q92769 | Histone deacetylase 2 | 87.68% | 94.75% |
| CHEMBL2535 | P11166 | Glucose transporter | 87.47% | 98.75% |
| CHEMBL4208 | P20618 | Proteasome component C5 | 86.57% | 90.00% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 84.66% | 95.89% |
| CHEMBL5469 | Q14289 | Protein tyrosine kinase 2 beta | 84.52% | 91.03% |
| CHEMBL4793 | Q86TI2 | Dipeptidyl peptidase IX | 83.85% | 96.95% |
| CHEMBL241 | Q14432 | Phosphodiesterase 3A | 83.67% | 92.94% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 83.63% | 95.56% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 82.91% | 100.00% |
| CHEMBL2373 | P21730 | C5a anaphylatoxin chemotactic receptor | 81.71% | 92.62% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 80.40% | 94.73% |
| CHEMBL5747 | Q92793 | CREB-binding protein | 80.07% | 95.12% |
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.
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| There are no matching plants. |
| PubChem | 442871 |
| LOTUS | LTS0223502 |
| wikiData | Q27108048 |