(-)-N-Methylcalycinine; N-Methylfissoldine
| Internal ID | 68d51b84-ae5b-4e36-a6a3-a36bcc283e5d |
| Taxonomy | Alkaloids and derivatives > Aporphines |
| IUPAC Name | 16-methoxy-11-methyl-3,5-dioxa-11-azapentacyclo[10.7.1.02,6.08,20.014,19]icosa-1(20),2(6),7,14(19),15,17-hexaen-18-ol |
| SMILES (Canonical) | CN1CCC2=CC3=C(C4=C2C1CC5=C4C(=CC(=C5)OC)O)OCO3 |
| SMILES (Isomeric) | CN1CCC2=CC3=C(C4=C2C1CC5=C4C(=CC(=C5)OC)O)OCO3 |
| InChI | InChI=1S/C19H19NO4/c1-20-4-3-10-7-15-19(24-9-23-15)18-16(10)13(20)6-11-5-12(22-2)8-14(21)17(11)18/h5,7-8,13,21H,3-4,6,9H2,1-2H3 |
| InChI Key | SFOMHAXOBRLRFH-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C19H19NO4 |
| Molecular Weight | 325.40 g/mol |
| Exact Mass | 325.13140809 g/mol |
| Topological Polar Surface Area (TPSA) | 51.20 Ų |
| XlogP | 2.90 |
| (12R)-16-methoxy-11-methyl-3,5-dioxa-11-azapentacyclo[10.7.1.0^{2,6.0^{8,20.0^{14,19]icosa-1(20),2(6),7,14(19),15,17-hexaen-18-ol |
| 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 | 98.11% | 96.09% |
| CHEMBL4303 | P08238 | Heat shock protein HSP 90-beta | 97.80% | 96.77% |
| CHEMBL261 | P00915 | Carbonic anhydrase I | 97.29% | 96.76% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 97.15% | 91.11% |
| CHEMBL5697 | Q9GZT9 | Egl nine homolog 1 | 95.38% | 93.40% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 95.05% | 95.56% |
| CHEMBL2041 | P07949 | Tyrosine-protein kinase receptor RET | 92.99% | 91.79% |
| CHEMBL2056 | P21728 | Dopamine D1 receptor | 91.80% | 91.00% |
| CHEMBL2581 | P07339 | Cathepsin D | 91.61% | 98.95% |
| CHEMBL205 | P00918 | Carbonic anhydrase II | 91.55% | 98.44% |
| CHEMBL5311 | P37023 | Serine/threonine-protein kinase receptor R3 | 88.87% | 82.67% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 88.13% | 94.45% |
| CHEMBL4208 | P20618 | Proteasome component C5 | 87.35% | 90.00% |
| CHEMBL1860 | P10827 | Thyroid hormone receptor alpha | 87.07% | 99.15% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 86.49% | 94.00% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 86.18% | 85.14% |
| CHEMBL1907603 | Q05586 | Glutamate NMDA receptor; GRIN1/GRIN2B | 85.11% | 95.89% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 84.67% | 95.89% |
| CHEMBL5469 | Q14289 | Protein tyrosine kinase 2 beta | 84.33% | 91.03% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 84.25% | 97.09% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 84.00% | 89.00% |
| CHEMBL217 | P14416 | Dopamine D2 receptor | 83.40% | 95.62% |
| CHEMBL3438 | Q05513 | Protein kinase C zeta | 83.30% | 88.48% |
| CHEMBL2373 | P21730 | C5a anaphylatoxin chemotactic receptor | 83.18% | 92.62% |
| CHEMBL2069156 | Q14145 | Kelch-like ECH-associated protein 1 | 83.08% | 82.38% |
| CHEMBL5203 | P33316 | dUTP pyrophosphatase | 81.83% | 99.18% |
| CHEMBL241 | Q14432 | Phosphodiesterase 3A | 80.62% | 92.94% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 80.21% | 99.23% |
| CHEMBL3231 | Q13464 | Rho-associated protein kinase 1 | 80.17% | 95.55% |
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.
| Corydalis taliensis |
| PubChem | 14604496 |
| LOTUS | LTS0139390 |
| wikiData | Q105251909 |