(1S)-1-[[4-[5-[[(1R)-7-hydroxy-6-methoxy-2-methyl-3,4-dihydro-1H-isoquinolin-1-yl]methyl]-2-methoxyphenoxy]phenyl]methyl]-7-methoxy-2-methyl-3,4-dihydro-1H-isoquinolin-6-ol
| Internal ID | 18c5c4f6-a320-46b8-9d84-46cab97ae544 |
| Taxonomy | Organoheterocyclic compounds > Isoquinolines and derivatives > Benzylisoquinolines |
| IUPAC Name | (1S)-1-[[4-[5-[[(1R)-7-hydroxy-6-methoxy-2-methyl-3,4-dihydro-1H-isoquinolin-1-yl]methyl]-2-methoxyphenoxy]phenyl]methyl]-7-methoxy-2-methyl-3,4-dihydro-1H-isoquinolin-6-ol |
| SMILES (Canonical) | |
| SMILES (Isomeric) | |
| InChI | InChI=1S/C37H42N2O6/c1-38-14-12-25-19-32(40)36(44-5)22-29(25)30(38)16-23-6-9-27(10-7-23)45-37-18-24(8-11-34(37)42-3)17-31-28-21-33(41)35(43-4)20-26(28)13-15-39(31)2/h6-11,18-22,30-31,40-41H,12-17H2,1-5H3/t30-,31+/m0/s1 |
| InChI Key | YTKFSYMCOQUDNP-IOWSJCHKSA-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 (1S)-1-[[4-[5-[[(1R)-7-hydroxy-6-methoxy-2-methyl-3,4-dihydro-1H-isoquinolin-1-yl]methyl]-2-methoxyphenoxy]phenyl]methyl]-7-methoxy-2-methyl-3,4-dihydro-1H-isoquinolin-6-ol](https://plantaedb.com/storage/docs/compounds/2023/11/6aad6170-869b-11ee-86a5-61f9e1a17dae.jpg "2D Structure of (1S)-1-[[4-[5-[[(1R)-7-hydroxy-6-methoxy-2-methyl-3,4-dihydro-1H-isoquinolin-1-yl]methyl]-2-methoxyphenoxy]phenyl]methyl]-7-methoxy-2-methyl-3,4-dihydro-1H-isoquinolin-6-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 | 99.42% | 96.09% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 97.08% | 85.14% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 95.07% | 95.89% |
| CHEMBL1907603 | Q05586 | Glutamate NMDA receptor; GRIN1/GRIN2B | 94.38% | 95.89% |
| CHEMBL2581 | P07339 | Cathepsin D | 94.35% | 98.95% |
| CHEMBL4208 | P20618 | Proteasome component C5 | 94.06% | 90.00% |
| CHEMBL3192 | Q9BY41 | Histone deacetylase 8 | 93.52% | 93.99% |
| CHEMBL261 | P00915 | Carbonic anhydrase I | 92.62% | 96.76% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 92.62% | 95.56% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 92.24% | 94.00% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 91.16% | 91.11% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 90.34% | 86.33% |
| CHEMBL2535 | P11166 | Glucose transporter | 89.64% | 98.75% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 89.11% | 94.45% |
| CHEMBL2056 | P21728 | Dopamine D1 receptor | 88.96% | 91.00% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 88.60% | 99.17% |
| CHEMBL5469 | Q14289 | Protein tyrosine kinase 2 beta | 88.18% | 91.03% |
| CHEMBL241 | Q14432 | Phosphodiesterase 3A | 86.49% | 92.94% |
| CHEMBL5747 | Q92793 | CREB-binding protein | 86.00% | 95.12% |
| CHEMBL4895 | P30530 | Tyrosine-protein kinase receptor UFO | 85.02% | 90.95% |
| CHEMBL2373 | P21730 | C5a anaphylatoxin chemotactic receptor | 84.47% | 92.62% |
| CHEMBL2041 | P07949 | Tyrosine-protein kinase receptor RET | 83.10% | 91.79% |
| CHEMBL215 | P09917 | Arachidonate 5-lipoxygenase | 82.60% | 92.68% |
| CHEMBL3474 | P14555 | Phospholipase A2 group IIA | 81.26% | 94.05% |
| CHEMBL5339 | Q5NUL3 | G-protein coupled receptor 120 | 81.08% | 95.78% |
| CHEMBL3820 | P35557 | Hexokinase type IV | 81.04% | 91.96% |
| CHEMBL5697 | Q9GZT9 | Egl nine homolog 1 | 80.79% | 93.40% |
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.
| Berberis laurina |
| PubChem | 102149077 |
| LOTUS | LTS0221041 |
| wikiData | Q105361609 |