(1R)-1-[[4-[5-[[(1S)-6,7-dimethoxy-2-methyl-3,4-dihydro-1H-isoquinolin-1-yl]methyl]-2-hydroxyphenoxy]phenyl]methyl]-6-methoxy-2-methyl-3,4-dihydro-1H-isoquinolin-7-ol
| Internal ID | d4e3b5b7-064a-4f02-a045-f7b119fd03d3 |
| Taxonomy | Organoheterocyclic compounds > Isoquinolines and derivatives > Benzylisoquinolines |
| IUPAC Name | (1R)-1-[[4-[5-[[(1S)-6,7-dimethoxy-2-methyl-3,4-dihydro-1H-isoquinolin-1-yl]methyl]-2-hydroxyphenoxy]phenyl]methyl]-6-methoxy-2-methyl-3,4-dihydro-1H-isoquinolin-7-ol |
| SMILES (Canonical) | |
| SMILES (Isomeric) | |
| InChI | InChI=1S/C37H42N2O6/c1-38-14-12-25-19-34(42-3)33(41)21-28(25)30(38)16-23-6-9-27(10-7-23)45-35-18-24(8-11-32(35)40)17-31-29-22-37(44-5)36(43-4)20-26(29)13-15-39(31)2/h6-11,18-22,30-31,40-41H,12-17H2,1-5H3/t30-,31+/m1/s1 |
| InChI Key | VMGXSDYPKKPINM-JSOSNVBQSA-N |
| Popularity | 2 references in papers |
| Molecular Formula | C37H42N2O6 |
| Molecular Weight | 610.70 g/mol |
| Exact Mass | 610.30428706 g/mol |
| Topological Polar Surface Area (TPSA) | 83.90 Ų |
| XlogP | 6.40 |
| There are no found synonyms. |
![2D Structure of (1R)-1-[[4-[5-[[(1S)-6,7-dimethoxy-2-methyl-3,4-dihydro-1H-isoquinolin-1-yl]methyl]-2-hydroxyphenoxy]phenyl]methyl]-6-methoxy-2-methyl-3,4-dihydro-1H-isoquinolin-7-ol](https://plantaedb.com/storage/docs/compounds/2023/11/7539eb50-883e-11ee-9827-51cb5744ef9d.jpg "2D Structure of (1R)-1-[[4-[5-[[(1S)-6,7-dimethoxy-2-methyl-3,4-dihydro-1H-isoquinolin-1-yl]methyl]-2-hydroxyphenoxy]phenyl]methyl]-6-methoxy-2-methyl-3,4-dihydro-1H-isoquinolin-7-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 | 99.25% | 96.09% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 94.34% | 91.11% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 94.21% | 95.89% |
| CHEMBL1907603 | Q05586 | Glutamate NMDA receptor; GRIN1/GRIN2B | 94.14% | 95.89% |
| CHEMBL4208 | P20618 | Proteasome component C5 | 93.97% | 90.00% |
| CHEMBL2581 | P07339 | Cathepsin D | 93.62% | 98.95% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 93.42% | 85.14% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 93.38% | 95.56% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 91.91% | 94.00% |
| CHEMBL5469 | Q14289 | Protein tyrosine kinase 2 beta | 91.16% | 91.03% |
| CHEMBL2535 | P11166 | Glucose transporter | 90.40% | 98.75% |
| CHEMBL3192 | Q9BY41 | Histone deacetylase 8 | 89.69% | 93.99% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 89.50% | 99.17% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 88.92% | 86.33% |
| CHEMBL2056 | P21728 | Dopamine D1 receptor | 88.28% | 91.00% |
| CHEMBL2373 | P21730 | C5a anaphylatoxin chemotactic receptor | 88.00% | 92.62% |
| CHEMBL241 | Q14432 | Phosphodiesterase 3A | 87.64% | 92.94% |
| CHEMBL2041 | P07949 | Tyrosine-protein kinase receptor RET | 85.08% | 91.79% |
| CHEMBL261 | P00915 | Carbonic anhydrase I | 84.54% | 96.76% |
| CHEMBL1951 | P21397 | Monoamine oxidase A | 84.25% | 91.49% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 84.05% | 94.45% |
| CHEMBL5747 | Q92793 | CREB-binding protein | 83.97% | 95.12% |
| CHEMBL4895 | P30530 | Tyrosine-protein kinase receptor UFO | 82.61% | 90.95% |
| CHEMBL3438 | Q05513 | Protein kinase C zeta | 82.07% | 88.48% |
| CHEMBL1860 | P10827 | Thyroid hormone receptor alpha | 81.67% | 99.15% |
| CHEMBL3820 | P35557 | Hexokinase type IV | 81.63% | 91.96% |
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.
| There are no matching plants. |
| PubChem | 163088644 |
| LOTUS | LTS0239995 |
| wikiData | Q105288979 |