(1R,9S,10S)-4,5,12-trimethoxy-17-methyl-17-azatetracyclo[7.5.3.01,10.02,7]heptadeca-2,4,6,11-tetraen-13-one
| Internal ID | 3078928d-b8c2-48eb-9070-15de07577811 |
| Taxonomy | Alkaloids and derivatives > Morphinans |
| IUPAC Name | (1R,9S,10S)-4,5,12-trimethoxy-17-methyl-17-azatetracyclo[7.5.3.01,10.02,7]heptadeca-2,4,6,11-tetraen-13-one |
| SMILES (Canonical) | CN1CCC23CC(=O)C(=CC2C1CC4=CC(=C(C=C34)OC)OC)OC |
| SMILES (Isomeric) | CN1CC[C@@]23CC(=O)C(=C[C@@H]2[C@@H]1CC4=CC(=C(C=C34)OC)OC)OC |
| InChI | InChI=1S/C20H25NO4/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/h8-10,14-15H,5-7,11H2,1-4H3/t14-,15+,20+/m1/s1 |
| InChI Key | UFPSPSKAMWHJCV-SIFCLUCFSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C20H25NO4 |
| Molecular Weight | 343.40 g/mol |
| Exact Mass | 343.17835828 g/mol |
| Topological Polar Surface Area (TPSA) | 48.00 Ų |
| XlogP | 2.50 |
| There are no found synonyms. |
![2D Structure of (1R,9S,10S)-4,5,12-trimethoxy-17-methyl-17-azatetracyclo[7.5.3.01,10.02,7]heptadeca-2,4,6,11-tetraen-13-one](https://plantaedb.com/storage/docs/compounds/2023/11/6e24ed60-85e4-11ee-bf15-f1745f3bf610.jpg "2D Structure of (1R,9S,10S)-4,5,12-trimethoxy-17-methyl-17-azatetracyclo[7.5.3.01,10.02,7]heptadeca-2,4,6,11-tetraen-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 | 98.56% | 96.09% |
| CHEMBL5697 | Q9GZT9 | Egl nine homolog 1 | 95.00% | 93.40% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 93.82% | 95.56% |
| CHEMBL4208 | P20618 | Proteasome component C5 | 92.33% | 90.00% |
| CHEMBL217 | P14416 | Dopamine D2 receptor | 92.27% | 95.62% |
| CHEMBL3192 | Q9BY41 | Histone deacetylase 8 | 91.91% | 93.99% |
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 91.66% | 97.25% |
| CHEMBL5469 | Q14289 | Protein tyrosine kinase 2 beta | 91.00% | 91.03% |
| CHEMBL2581 | P07339 | Cathepsin D | 90.73% | 98.95% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 90.04% | 85.14% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 89.62% | 95.89% |
| CHEMBL241 | Q14432 | Phosphodiesterase 3A | 89.29% | 92.94% |
| CHEMBL2535 | P11166 | Glucose transporter | 89.04% | 98.75% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 88.65% | 94.00% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 87.77% | 86.33% |
| CHEMBL3351 | Q13085 | Acetyl-CoA carboxylase 1 | 87.72% | 93.04% |
| CHEMBL5845 | P23415 | Glycine receptor subunit alpha-1 | 87.02% | 90.71% |
| CHEMBL4829 | O00763 | Acetyl-CoA carboxylase 2 | 86.45% | 98.00% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 85.59% | 94.45% |
| CHEMBL5203 | P33316 | dUTP pyrophosphatase | 83.74% | 99.18% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 81.81% | 91.11% |
| CHEMBL4478 | Q00975 | Voltage-gated N-type calcium channel alpha-1B subunit | 81.12% | 97.14% |
| CHEMBL4247 | Q9UM73 | ALK tyrosine kinase receptor | 80.90% | 96.86% |
| CHEMBL4072 | P07858 | Cathepsin B | 80.40% | 93.67% |
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 | 14394587 |
| LOTUS | LTS0193565 |
| wikiData | Q105272027 |