(S)-cis-N-methylstylopine
| Internal ID | cb72ee93-6094-4bd6-8371-ac91b0dd074a |
| Taxonomy | Alkaloids and derivatives > Protoberberine alkaloids and derivatives |
| IUPAC Name | (1S,13S)-13-methyl-5,7,17,19-tetraoxa-13-azoniahexacyclo[11.11.0.02,10.04,8.015,23.016,20]tetracosa-2,4(8),9,15(23),16(20),21-hexaene |
| SMILES (Canonical) | C[N+]12CCC3=CC4=C(C=C3C1CC5=C(C2)C6=C(C=C5)OCO6)OCO4 |
| SMILES (Isomeric) | C[N@@+]12CCC3=CC4=C(C=C3[C@@H]1CC5=C(C2)C6=C(C=C5)OCO6)OCO4 |
| InChI | InChI=1S/C20H20NO4/c1-21-5-4-13-7-18-19(24-10-23-18)8-14(13)16(21)6-12-2-3-17-20(15(12)9-21)25-11-22-17/h2-3,7-8,16H,4-6,9-11H2,1H3/q+1/t16-,21-/m0/s1 |
| InChI Key | GBUUKFRQPCPYPW-KKSFZXQISA-N |
| Popularity | 2 references in papers |
| Molecular Formula | C20H20NO4+ |
| Molecular Weight | 338.40 g/mol |
| Exact Mass | 338.13923312 g/mol |
| Topological Polar Surface Area (TPSA) | 36.90 Ų |
| XlogP | 3.00 |
| (5S,12bS)-5-methyl-6,7,12b,13-tetrahydro-2H,4H,10H-[1,3]dioxolo[4,5-g][1,3]dioxolo[7,8]isoquinolino[3,2-a]isoquinolin-5-ium |
| (5S,12bS)-5-methyl-6,7,12b,13-tetrahydro-4H-[1,3]dioxolo[4,5-g][1,3]dioxolo[7,8]isoquino[3,2-a]isoquinolin-5-ium |
| (-)-N-Methylstylopine |
| C06163 |
| CHEBI:444 |
| SCHEMBL16035985 |
| Q27105298 |
| (1S,13S)-13-methyl-5,7,17,19-tetraoxa-13-azoniahexacyclo[11.11.0.02,10.04,8.015,23.016,20]tetracosa-2,4(8),9,15(23),16(20),21-hexaene |
| SYT |
| 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 |
|---|---|---|---|---|
| CHEMBL261 | P00915 | Carbonic anhydrase I | 96.95% | 96.76% |
| CHEMBL5697 | Q9GZT9 | Egl nine homolog 1 | 95.06% | 93.40% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 94.62% | 94.45% |
| CHEMBL4303 | P08238 | Heat shock protein HSP 90-beta | 94.60% | 96.77% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 93.03% | 91.11% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 91.04% | 96.09% |
| CHEMBL4481 | P35228 | Nitric oxide synthase, inducible | 89.79% | 94.80% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 88.49% | 95.56% |
| CHEMBL2581 | P07339 | Cathepsin D | 88.48% | 98.95% |
| CHEMBL5311 | P37023 | Serine/threonine-protein kinase receptor R3 | 87.83% | 82.67% |
| CHEMBL4225 | P49760 | Dual specificity protein kinase CLK2 | 87.58% | 80.96% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 86.35% | 100.00% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 84.88% | 86.33% |
| CHEMBL2039 | P27338 | Monoamine oxidase B | 84.61% | 92.51% |
| CHEMBL4040 | P28482 | MAP kinase ERK2 | 84.10% | 83.82% |
| CHEMBL2373 | P21730 | C5a anaphylatoxin chemotactic receptor | 84.02% | 92.62% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 82.64% | 95.89% |
| CHEMBL3192 | Q9BY41 | Histone deacetylase 8 | 81.40% | 93.99% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 81.07% | 97.09% |
| CHEMBL5896 | O75164 | Lysine-specific demethylase 4A | 80.76% | 99.09% |
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.
| Macleaya cordata |
| PubChem | 5460426 |
| LOTUS | LTS0173136 |
| wikiData | Q27105298 |