(1R,9S,10S)-5-hydroxy-4,11,12-trimethoxy-17-methyl-17-azatetracyclo[7.5.3.01,10.02,7]heptadeca-2,4,6,11-tetraen-13-one
| Internal ID | 757a7e71-7827-4245-b005-9c35e6f580d1 |
| Taxonomy | Alkaloids and derivatives > Morphinans |
| IUPAC Name | (1R,9S,10S)-5-hydroxy-4,11,12-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(=C(C2C1CC4=CC(=C(C=C34)OC)O)OC)OC |
| SMILES (Isomeric) | CN1CC[C@@]23CC(=O)C(=C([C@@H]2[C@@H]1CC4=CC(=C(C=C34)OC)O)OC)OC |
| InChI | InChI=1S/C20H25NO5/c1-21-6-5-20-10-15(23)18(25-3)19(26-4)17(20)13(21)7-11-8-14(22)16(24-2)9-12(11)20/h8-9,13,17,22H,5-7,10H2,1-4H3/t13-,17-,20-/m0/s1 |
| InChI Key | QURUHPSMXQSGNP-ROOHIHILSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C20H25NO5 |
| Molecular Weight | 359.40 g/mol |
| Exact Mass | 359.17327290 g/mol |
| Topological Polar Surface Area (TPSA) | 68.20 Ų |
| XlogP | 1.80 |
| There are no found synonyms. |
![2D Structure of (1R,9S,10S)-5-hydroxy-4,11,12-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/2023/11/72493af0-86b0-11ee-bca3-5b67a2618a26.jpg "2D Structure of (1R,9S,10S)-5-hydroxy-4,11,12-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 | 98.61% | 96.09% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 96.27% | 95.56% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 95.34% | 91.11% |
| CHEMBL5697 | Q9GZT9 | Egl nine homolog 1 | 95.06% | 93.40% |
| CHEMBL217 | P14416 | Dopamine D2 receptor | 94.36% | 95.62% |
| CHEMBL2581 | P07339 | Cathepsin D | 93.75% | 98.95% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 92.55% | 85.14% |
| CHEMBL4208 | P20618 | Proteasome component C5 | 91.73% | 90.00% |
| CHEMBL233 | P35372 | Mu opioid receptor | 89.73% | 97.93% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 89.46% | 86.33% |
| CHEMBL3192 | Q9BY41 | Histone deacetylase 8 | 88.36% | 93.99% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 88.05% | 94.00% |
| CHEMBL3351 | Q13085 | Acetyl-CoA carboxylase 1 | 87.67% | 93.04% |
| CHEMBL2535 | P11166 | Glucose transporter | 87.47% | 98.75% |
| CHEMBL1907600 | Q00535 | Cyclin-dependent kinase 5/CDK5 activator 1 | 86.27% | 93.03% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 86.06% | 94.45% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 85.13% | 95.89% |
| CHEMBL2069156 | Q14145 | Kelch-like ECH-associated protein 1 | 84.66% | 82.38% |
| CHEMBL5845 | P23415 | Glycine receptor subunit alpha-1 | 83.56% | 90.71% |
| CHEMBL2007 | P16234 | Platelet-derived growth factor receptor alpha | 82.88% | 91.07% |
| CHEMBL5469 | Q14289 | Protein tyrosine kinase 2 beta | 82.59% | 91.03% |
| CHEMBL4478 | Q00975 | Voltage-gated N-type calcium channel alpha-1B subunit | 82.29% | 97.14% |
| CHEMBL2056 | P21728 | Dopamine D1 receptor | 82.26% | 91.00% |
| CHEMBL4829 | O00763 | Acetyl-CoA carboxylase 2 | 81.41% | 98.00% |
| CHEMBL241 | Q14432 | Phosphodiesterase 3A | 81.03% | 92.94% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 80.82% | 99.23% |
| CHEMBL1937 | Q92769 | Histone deacetylase 2 | 80.40% | 94.75% |
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 | 14394589 |
| LOTUS | LTS0268577 |
| wikiData | Q105228389 |