4,5,12-Trimethoxy-17-methyl-17-azatetracyclo[7.5.3.01,10.02,7]heptadeca-2,4,6-trien-13-one
| Internal ID | 07bc9096-47e7-4124-93a9-0a38da51052c |
| Taxonomy | Alkaloids and derivatives > Morphinans |
| IUPAC Name | 4,5,12-trimethoxy-17-methyl-17-azatetracyclo[7.5.3.01,10.02,7]heptadeca-2,4,6-trien-13-one |
| SMILES (Canonical) | CN1CCC23CC(=O)C(CC2C1CC4=CC(=C(C=C34)OC)OC)OC |
| SMILES (Isomeric) | CN1CCC23CC(=O)C(CC2C1CC4=CC(=C(C=C34)OC)OC)OC |
| InChI | InChI=1S/C20H27NO4/c1-21-6-5-20-11-16(22)17(23-2)10-14(20)15(21)7-12-8-18(24-3)19(25-4)9-13(12)20/h8-9,14-15,17H,5-7,10-11H2,1-4H3 |
| InChI Key | KDFCXHYXRVENIS-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C20H27NO4 |
| Molecular Weight | 345.40 g/mol |
| Exact Mass | 345.19400834 g/mol |
| Topological Polar Surface Area (TPSA) | 48.00 Ų |
| XlogP | 2.20 |
| There are no found synonyms. |
![2D Structure of 4,5,12-Trimethoxy-17-methyl-17-azatetracyclo[7.5.3.01,10.02,7]heptadeca-2,4,6-trien-13-one](https://plantaedb.com/storage/docs/compounds/2023/11/4512-trimethoxy-17-methyl-17-azatetracyclo7530110027heptadeca-246-trien-13-one.jpg "2D Structure of 4,5,12-Trimethoxy-17-methyl-17-azatetracyclo[7.5.3.01,10.02,7]heptadeca-2,4,6-trien-13-one")
| 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 | 98.47% | 96.09% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 93.77% | 95.56% |
| CHEMBL217 | P14416 | Dopamine D2 receptor | 91.56% | 95.62% |
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 90.53% | 97.25% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 89.97% | 85.14% |
| CHEMBL241 | Q14432 | Phosphodiesterase 3A | 89.33% | 92.94% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 89.28% | 86.33% |
| CHEMBL5697 | Q9GZT9 | Egl nine homolog 1 | 89.19% | 93.40% |
| CHEMBL233 | P35372 | Mu opioid receptor | 88.47% | 97.93% |
| CHEMBL4208 | P20618 | Proteasome component C5 | 88.47% | 90.00% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 88.33% | 94.00% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 87.64% | 94.45% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 86.89% | 95.89% |
| CHEMBL5469 | Q14289 | Protein tyrosine kinase 2 beta | 86.74% | 91.03% |
| CHEMBL2413 | P32246 | C-C chemokine receptor type 1 | 86.31% | 89.50% |
| CHEMBL4478 | Q00975 | Voltage-gated N-type calcium channel alpha-1B subunit | 85.86% | 97.14% |
| CHEMBL236 | P41143 | Delta opioid receptor | 84.76% | 99.35% |
| CHEMBL5845 | P23415 | Glycine receptor subunit alpha-1 | 84.06% | 90.71% |
| CHEMBL1907603 | Q05586 | Glutamate NMDA receptor; GRIN1/GRIN2B | 83.13% | 95.89% |
| CHEMBL1902 | P62942 | FK506-binding protein 1A | 82.98% | 97.05% |
| CHEMBL3351 | Q13085 | Acetyl-CoA carboxylase 1 | 82.96% | 93.04% |
| CHEMBL5203 | P33316 | dUTP pyrophosphatase | 82.95% | 99.18% |
| CHEMBL2581 | P07339 | Cathepsin D | 82.69% | 98.95% |
| CHEMBL3192 | Q9BY41 | Histone deacetylase 8 | 82.29% | 93.99% |
| CHEMBL2535 | P11166 | Glucose transporter | 80.33% | 98.75% |
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.
| Stephania zippeliana |
| PubChem | 163019759 |
| LOTUS | LTS0067585 |
| wikiData | Q105139125 |