14xi-Morphinan-7-one, 5,6-didehydro-4-hydroxy-3,6-dimethoxy-17-methyl-
| Internal ID | 185886b0-a317-4f4b-a104-8eab77d28e68 |
| Taxonomy | Alkaloids and derivatives > Morphinans |
| IUPAC Name | 3-hydroxy-4,13-dimethoxy-17-methyl-17-azatetracyclo[7.5.3.01,10.02,7]heptadeca-2(7),3,5,13-tetraen-12-one |
| SMILES (Canonical) | CN1CCC23C=C(C(=O)CC2C1CC4=C3C(=C(C=C4)OC)O)OC |
| SMILES (Isomeric) | CN1CCC23C=C(C(=O)CC2C1CC4=C3C(=C(C=C4)OC)O)OC |
| InChI | InChI=1S/C19H23NO4/c1-20-7-6-19-10-16(24-3)14(21)9-12(19)13(20)8-11-4-5-15(23-2)18(22)17(11)19/h4-5,10,12-13,22H,6-9H2,1-3H3 |
| InChI Key | OWDQPILTDJLGCN-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C19H23NO4 |
| Molecular Weight | 329.40 g/mol |
| Exact Mass | 329.16270821 g/mol |
| Topological Polar Surface Area (TPSA) | 59.00 Ų |
| XlogP | 2.30 |
| 4-Hydroxy-3,6-dimethoxy-17-methyl-5,6-didehydromorphinan-7-one # |
| 14.Xi.-Morphinan-7-one, 5,6-didehydro-4-hydroxy-3,6-dimethoxy-17-methyl- |
| Morphinan-7-one, 5,6-didehydro-4-hydroxy-3,6-dimethoxy-17-methyl-, (14.xi.)- |
| 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 | 98.95% | 96.09% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 94.74% | 95.89% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 94.24% | 95.56% |
| CHEMBL217 | P14416 | Dopamine D2 receptor | 94.12% | 95.62% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 93.89% | 85.14% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 90.51% | 94.00% |
| CHEMBL3192 | Q9BY41 | Histone deacetylase 8 | 90.32% | 93.99% |
| CHEMBL2581 | P07339 | Cathepsin D | 89.29% | 98.95% |
| CHEMBL2535 | P11166 | Glucose transporter | 88.47% | 98.75% |
| CHEMBL1951 | P21397 | Monoamine oxidase A | 88.33% | 91.49% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 88.10% | 86.33% |
| CHEMBL5469 | Q14289 | Protein tyrosine kinase 2 beta | 87.78% | 91.03% |
| CHEMBL4208 | P20618 | Proteasome component C5 | 87.36% | 90.00% |
| CHEMBL5697 | Q9GZT9 | Egl nine homolog 1 | 87.18% | 93.40% |
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 86.96% | 97.25% |
| CHEMBL220 | P22303 | Acetylcholinesterase | 86.56% | 94.45% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 86.42% | 94.45% |
| CHEMBL2056 | P21728 | Dopamine D1 receptor | 85.36% | 91.00% |
| CHEMBL4829 | O00763 | Acetyl-CoA carboxylase 2 | 84.50% | 98.00% |
| CHEMBL1907600 | Q00535 | Cyclin-dependent kinase 5/CDK5 activator 1 | 84.49% | 93.03% |
| CHEMBL5845 | P23415 | Glycine receptor subunit alpha-1 | 83.75% | 90.71% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 83.13% | 91.11% |
| CHEMBL225 | P28335 | Serotonin 2c (5-HT2c) receptor | 83.12% | 89.62% |
| CHEMBL2069156 | Q14145 | Kelch-like ECH-associated protein 1 | 81.05% | 82.38% |
| CHEMBL2007 | P16234 | Platelet-derived growth factor receptor alpha | 80.63% | 91.07% |
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.
| Cissampelos sympodialis |
| Croton vaillantii |
| Thalictrum urbaini |
| PubChem | 628731 |
| LOTUS | LTS0160479 |
| wikiData | Q105201940 |