(-)-Neferine
| Internal ID | 44098188-c53c-4c0a-9e45-b35631cc4844 |
| Taxonomy | Organoheterocyclic compounds > Isoquinolines and derivatives > Benzylisoquinolines |
| IUPAC Name | 4-[[(1R)-6,7-dimethoxy-2-methyl-3,4-dihydro-1H-isoquinolin-1-yl]methyl]-2-[[6-methoxy-1-[(4-methoxyphenyl)methyl]-2-methyl-3,4-dihydro-1H-isoquinolin-7-yl]oxy]phenol |
| SMILES (Canonical) | CN1CCC2=CC(=C(C=C2C1CC3=CC=C(C=C3)OC)OC4=C(C=CC(=C4)CC5C6=CC(=C(C=C6CCN5C)OC)OC)O)OC |
| SMILES (Isomeric) | CN1CCC2=CC(=C(C=C2[C@H]1CC3=CC(=C(C=C3)O)OC4=C(C=C5CCN(C(C5=C4)CC6=CC=C(C=C6)OC)C)OC)OC)OC |
| InChI | InChI=1S/C38H44N2O6/c1-39-15-14-27-21-36(44-5)38(23-30(27)31(39)17-24-7-10-28(42-3)11-8-24)46-34-19-25(9-12-33(34)41)18-32-29-22-37(45-6)35(43-4)20-26(29)13-16-40(32)2/h7-12,19-23,31-32,41H,13-18H2,1-6H3/t31?,32-/m1/s1 |
| InChI Key | MIBATSHDJRIUJK-IADGFXSZSA-N |
| Popularity | 163 references in papers |
| Molecular Formula | C38H44N2O6 |
| Molecular Weight | 624.80 g/mol |
| Exact Mass | 624.31993713 g/mol |
| Topological Polar Surface Area (TPSA) | 72.90 Ų |
| XlogP | 6.70 |
| (-)-Neferine |
| 2292-16-2 |
| BCP14632 |
| 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 | 99.20% | 96.09% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 96.86% | 85.14% |
| CHEMBL4208 | P20618 | Proteasome component C5 | 94.46% | 90.00% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 94.08% | 95.56% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 94.02% | 91.11% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 93.85% | 95.89% |
| CHEMBL3192 | Q9BY41 | Histone deacetylase 8 | 92.75% | 93.99% |
| CHEMBL2581 | P07339 | Cathepsin D | 92.61% | 98.95% |
| CHEMBL1907603 | Q05586 | Glutamate NMDA receptor; GRIN1/GRIN2B | 92.27% | 95.89% |
| CHEMBL5469 | Q14289 | Protein tyrosine kinase 2 beta | 91.97% | 91.03% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 90.95% | 94.00% |
| CHEMBL2535 | P11166 | Glucose transporter | 89.85% | 98.75% |
| CHEMBL2373 | P21730 | C5a anaphylatoxin chemotactic receptor | 88.79% | 92.62% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 88.75% | 99.17% |
| CHEMBL241 | Q14432 | Phosphodiesterase 3A | 87.96% | 92.94% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 87.01% | 86.33% |
| CHEMBL2056 | P21728 | Dopamine D1 receptor | 86.81% | 91.00% |
| CHEMBL1951 | P21397 | Monoamine oxidase A | 85.78% | 91.49% |
| CHEMBL5697 | Q9GZT9 | Egl nine homolog 1 | 85.71% | 93.40% |
| CHEMBL4895 | P30530 | Tyrosine-protein kinase receptor UFO | 85.24% | 90.95% |
| CHEMBL1860 | P10827 | Thyroid hormone receptor alpha | 85.04% | 99.15% |
| CHEMBL5747 | Q92793 | CREB-binding protein | 84.37% | 95.12% |
| CHEMBL1913 | P09619 | Platelet-derived growth factor receptor beta | 83.40% | 95.70% |
| CHEMBL261 | P00915 | Carbonic anhydrase I | 82.78% | 96.76% |
| CHEMBL3820 | P35557 | Hexokinase type IV | 81.60% | 91.96% |
| CHEMBL3438 | Q05513 | Protein kinase C zeta | 80.30% | 88.48% |
| CHEMBL2041 | P07949 | Tyrosine-protein kinase receptor RET | 80.30% | 91.79% |
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.
| Nelumbo nucifera |
| PubChem | 134693217 |
| LOTUS | LTS0275704 |
| wikiData | Q104397553 |