N-Methylsinactine
| Internal ID | a7a74cad-7317-49f2-b7d4-0d208e5f5d97 |
| Taxonomy | Alkaloids and derivatives > Protoberberine alkaloids and derivatives |
| IUPAC Name | (1S,13S)-16,17-dimethoxy-1-methyl-5,7-dioxa-1-azoniapentacyclo[11.8.0.03,11.04,8.014,19]henicosa-3(11),4(8),9,14,16,18-hexaene |
| SMILES (Canonical) | |
| SMILES (Isomeric) | |
| InChI | InChI=1S/C21H24NO4/c1-22-7-6-14-9-19(23-2)20(24-3)10-15(14)17(22)8-13-4-5-18-21(16(13)11-22)26-12-25-18/h4-5,9-10,17H,6-8,11-12H2,1-3H3/q+1/t17-,22-/m0/s1 |
| InChI Key | MTDQIOGTAVVTIY-JTSKRJEESA-N |
| Popularity | 2 references in papers |
| Molecular Formula | C21H24NO4+ |
| Molecular Weight | 354.40 g/mol |
| Exact Mass | 354.17053325 g/mol |
| Topological Polar Surface Area (TPSA) | 36.90 Ų |
| XlogP | 3.10 |
| (S)-cis-N-Methylsinactine |
| 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 | 96.84% | 96.76% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 96.29% | 96.09% |
| CHEMBL5311 | P37023 | Serine/threonine-protein kinase receptor R3 | 94.10% | 82.67% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 94.06% | 94.45% |
| CHEMBL241 | Q14432 | Phosphodiesterase 3A | 93.69% | 92.94% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 93.20% | 91.11% |
| CHEMBL3192 | Q9BY41 | Histone deacetylase 8 | 92.08% | 93.99% |
| CHEMBL5697 | Q9GZT9 | Egl nine homolog 1 | 91.80% | 93.40% |
| CHEMBL4303 | P08238 | Heat shock protein HSP 90-beta | 91.70% | 96.77% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 90.93% | 86.33% |
| CHEMBL2373 | P21730 | C5a anaphylatoxin chemotactic receptor | 90.85% | 92.62% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 90.37% | 95.56% |
| CHEMBL2535 | P11166 | Glucose transporter | 90.32% | 98.75% |
| CHEMBL2041 | P07949 | Tyrosine-protein kinase receptor RET | 89.23% | 91.79% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 87.29% | 95.89% |
| CHEMBL4247 | Q9UM73 | ALK tyrosine kinase receptor | 84.82% | 96.86% |
| CHEMBL5896 | O75164 | Lysine-specific demethylase 4A | 84.42% | 99.09% |
| CHEMBL2581 | P07339 | Cathepsin D | 84.35% | 98.95% |
| CHEMBL2413 | P32246 | C-C chemokine receptor type 1 | 83.37% | 89.50% |
| CHEMBL5747 | Q92793 | CREB-binding protein | 83.01% | 95.12% |
| CHEMBL225 | P28335 | Serotonin 2c (5-HT2c) receptor | 82.75% | 89.62% |
| CHEMBL4895 | P30530 | Tyrosine-protein kinase receptor UFO | 82.53% | 90.95% |
| CHEMBL3438 | Q05513 | Protein kinase C zeta | 82.39% | 88.48% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 81.71% | 100.00% |
| CHEMBL2094127 | P06493 | Cyclin-dependent kinase 1/cyclin B | 81.70% | 96.00% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 80.63% | 97.09% |
| CHEMBL4681 | P42330 | Aldo-keto-reductase family 1 member C3 | 80.12% | 89.05% |
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.
| Fumaria officinalis |
| PubChem | 163184404 |
| LOTUS | LTS0078480 |
| wikiData | Q105171641 |