(1S,11S,13S)-11,16,17-trimethoxy-22-methyl-6,8,12-trioxa-22-azapentacyclo[11.9.0.02,10.05,9.014,19]docosa-2(10),3,5(9),14,16,18-hexaene
| Internal ID | db2e9c61-a6c5-4f60-8877-6255145a3941 |
| Taxonomy | Alkaloids and derivatives > Rhoeadine alkaloids |
| IUPAC Name | (1S,11S,13S)-11,16,17-trimethoxy-22-methyl-6,8,12-trioxa-22-azapentacyclo[11.9.0.02,10.05,9.014,19]docosa-2(10),3,5(9),14,16,18-hexaene |
| SMILES (Canonical) | CN1CCC2=CC(=C(C=C2C3C1C4=C(C(O3)OC)C5=C(C=C4)OCO5)OC)OC |
| SMILES (Isomeric) | CN1CCC2=CC(=C(C=C2[C@H]3[C@@H]1C4=C([C@H](O3)OC)C5=C(C=C4)OCO5)OC)OC |
| InChI | InChI=1S/C22H25NO6/c1-23-8-7-12-9-16(24-2)17(25-3)10-14(12)20-19(23)13-5-6-15-21(28-11-27-15)18(13)22(26-4)29-20/h5-6,9-10,19-20,22H,7-8,11H2,1-4H3/t19-,20-,22-/m0/s1 |
| InChI Key | STJFYCWYHROASW-ONTIZHBOSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C22H25NO6 |
| Molecular Weight | 399.40 g/mol |
| Exact Mass | 399.16818752 g/mol |
| Topological Polar Surface Area (TPSA) | 58.60 Ų |
| XlogP | 2.50 |
| There are no found synonyms. |
![2D Structure of (1S,11S,13S)-11,16,17-trimethoxy-22-methyl-6,8,12-trioxa-22-azapentacyclo[11.9.0.02,10.05,9.014,19]docosa-2(10),3,5(9),14,16,18-hexaene](https://plantaedb.com/storage/docs/compounds/2023/11/618890e0-84c7-11ee-96af-2b4320eee62c.jpg "2D Structure of (1S,11S,13S)-11,16,17-trimethoxy-22-methyl-6,8,12-trioxa-22-azapentacyclo[11.9.0.02,10.05,9.014,19]docosa-2(10),3,5(9),14,16,18-hexaene")
| 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 | 98.40% | 96.09% |
| CHEMBL5697 | Q9GZT9 | Egl nine homolog 1 | 97.30% | 93.40% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 94.42% | 95.56% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 94.02% | 86.33% |
| CHEMBL3192 | Q9BY41 | Histone deacetylase 8 | 92.92% | 93.99% |
| CHEMBL4303 | P08238 | Heat shock protein HSP 90-beta | 91.78% | 96.77% |
| CHEMBL2581 | P07339 | Cathepsin D | 91.58% | 98.95% |
| CHEMBL5311 | P37023 | Serine/threonine-protein kinase receptor R3 | 90.70% | 82.67% |
| CHEMBL2146302 | O94925 | Glutaminase kidney isoform, mitochondrial | 90.19% | 100.00% |
| CHEMBL225 | P28335 | Serotonin 2c (5-HT2c) receptor | 90.03% | 89.62% |
| CHEMBL2373 | P21730 | C5a anaphylatoxin chemotactic receptor | 89.00% | 92.62% |
| CHEMBL2056 | P21728 | Dopamine D1 receptor | 88.75% | 91.00% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 88.73% | 95.89% |
| CHEMBL4895 | P30530 | Tyrosine-protein kinase receptor UFO | 87.05% | 90.95% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 85.89% | 91.11% |
| CHEMBL1907603 | Q05586 | Glutamate NMDA receptor; GRIN1/GRIN2B | 85.87% | 95.89% |
| CHEMBL4247 | Q9UM73 | ALK tyrosine kinase receptor | 85.72% | 96.86% |
| CHEMBL261 | P00915 | Carbonic anhydrase I | 84.94% | 96.76% |
| CHEMBL2535 | P11166 | Glucose transporter | 84.18% | 98.75% |
| CHEMBL2095226 | P05556 | Integrin alpha-5/beta-1 | 84.16% | 96.39% |
| CHEMBL241 | Q14432 | Phosphodiesterase 3A | 83.98% | 92.94% |
| CHEMBL4478 | Q00975 | Voltage-gated N-type calcium channel alpha-1B subunit | 83.82% | 97.14% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 83.76% | 94.00% |
| CHEMBL3820 | P35557 | Hexokinase type IV | 82.62% | 91.96% |
| CHEMBL5339 | Q5NUL3 | G-protein coupled receptor 120 | 81.54% | 95.78% |
| CHEMBL2335 | P42785 | Lysosomal Pro-X carboxypeptidase | 80.96% | 100.00% |
| CHEMBL2069156 | Q14145 | Kelch-like ECH-associated protein 1 | 80.91% | 82.38% |
| CHEMBL4208 | P20618 | Proteasome component C5 | 80.33% | 90.00% |
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.
| Papaver glaucum |
| Papaver rhoeas |
| PubChem | 162924004 |
| LOTUS | LTS0272764 |
| wikiData | Q105260293 |