(1R)-1-[[3-[5-[[(1R)-7-hydroxy-6-methoxy-2-methyl-3,4-dihydro-1H-isoquinolin-1-yl]methyl]-2-methoxyphenoxy]phenyl]methyl]-6-methoxy-2-methyl-3,4-dihydro-1H-isoquinolin-7-ol
| Internal ID | e3d61278-a023-4881-a9dc-1ecd5378ef65 |
| Taxonomy | Organoheterocyclic compounds > Isoquinolines and derivatives > Benzylisoquinolines |
| IUPAC Name | (1R)-1-[[3-[5-[[(1R)-7-hydroxy-6-methoxy-2-methyl-3,4-dihydro-1H-isoquinolin-1-yl]methyl]-2-methoxyphenoxy]phenyl]methyl]-6-methoxy-2-methyl-3,4-dihydro-1H-isoquinolin-7-ol |
| SMILES (Canonical) | |
| SMILES (Isomeric) | |
| InChI | InChI=1S/C37H42N2O6/c1-38-13-11-25-19-35(43-4)32(40)21-28(25)30(38)16-23-7-6-8-27(15-23)45-37-18-24(9-10-34(37)42-3)17-31-29-22-33(41)36(44-5)20-26(29)12-14-39(31)2/h6-10,15,18-22,30-31,40-41H,11-14,16-17H2,1-5H3/t30-,31-/m1/s1 |
| InChI Key | SZAFDNNRLSCVBC-FIRIVFDPSA-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-[[3-[5-[[(1R)-7-hydroxy-6-methoxy-2-methyl-3,4-dihydro-1H-isoquinolin-1-yl]methyl]-2-methoxyphenoxy]phenyl]methyl]-6-methoxy-2-methyl-3,4-dihydro-1H-isoquinolin-7-ol](https://plantaedb.com/storage/docs/compounds/2023/11/c8f65e80-8557-11ee-80b0-7582f61270e9.jpg "2D Structure of (1R)-1-[[3-[5-[[(1R)-7-hydroxy-6-methoxy-2-methyl-3,4-dihydro-1H-isoquinolin-1-yl]methyl]-2-methoxyphenoxy]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 | 99.40% | 96.09% |
| CHEMBL2581 | P07339 | Cathepsin D | 97.57% | 98.95% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 96.38% | 85.14% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 95.95% | 95.89% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 95.41% | 95.56% |
| CHEMBL3192 | Q9BY41 | Histone deacetylase 8 | 95.36% | 93.99% |
| CHEMBL2535 | P11166 | Glucose transporter | 94.25% | 98.75% |
| CHEMBL1907603 | Q05586 | Glutamate NMDA receptor; GRIN1/GRIN2B | 93.26% | 95.89% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 92.21% | 86.33% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 91.55% | 94.00% |
| CHEMBL261 | P00915 | Carbonic anhydrase I | 89.98% | 96.76% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 89.72% | 94.45% |
| CHEMBL5203 | P33316 | dUTP pyrophosphatase | 89.62% | 99.18% |
| CHEMBL2056 | P21728 | Dopamine D1 receptor | 88.60% | 91.00% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 86.80% | 99.17% |
| CHEMBL2146302 | O94925 | Glutaminase kidney isoform, mitochondrial | 85.66% | 100.00% |
| CHEMBL4208 | P20618 | Proteasome component C5 | 85.63% | 90.00% |
| CHEMBL241 | Q14432 | Phosphodiesterase 3A | 84.62% | 92.94% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 84.30% | 91.11% |
| CHEMBL3474 | P14555 | Phospholipase A2 group IIA | 84.10% | 94.05% |
| CHEMBL2373 | P21730 | C5a anaphylatoxin chemotactic receptor | 83.65% | 92.62% |
| CHEMBL5555 | O00767 | Acyl-CoA desaturase | 80.99% | 97.50% |
| CHEMBL2096618 | P11274 | Bcr/Abl fusion protein | 80.79% | 85.83% |
| CHEMBL3820 | P35557 | Hexokinase type IV | 80.35% | 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.
| Hypserpa nitida |
| PubChem | 163020875 |
| LOTUS | LTS0047111 |
| wikiData | Q105263915 |