(1S)-1-[[4-[2-hydroxy-5-[[(1R)-7-hydroxy-6-methoxy-2-methyl-3,4-dihydro-1H-isoquinolin-1-yl]methyl]phenoxy]phenyl]methyl]-7-methoxy-2-methyl-3,4-dihydro-1H-isoquinolin-6-ol
| Internal ID | 3ed7ce1e-bdde-4463-9d73-d90cc45693ff |
| Taxonomy | Organoheterocyclic compounds > Isoquinolines and derivatives > Benzylisoquinolines |
| IUPAC Name | (1S)-1-[[4-[2-hydroxy-5-[[(1R)-7-hydroxy-6-methoxy-2-methyl-3,4-dihydro-1H-isoquinolin-1-yl]methyl]phenoxy]phenyl]methyl]-7-methoxy-2-methyl-3,4-dihydro-1H-isoquinolin-6-ol |
| SMILES (Canonical) | |
| SMILES (Isomeric) | |
| InChI | InChI=1S/C36H40N2O6/c1-37-13-11-24-18-32(40)35(43-4)21-28(24)29(37)15-22-5-8-26(9-6-22)44-36-17-23(7-10-31(36)39)16-30-27-20-33(41)34(42-3)19-25(27)12-14-38(30)2/h5-10,17-21,29-30,39-41H,11-16H2,1-4H3/t29-,30+/m0/s1 |
| InChI Key | RMABHGZZUIKESI-XZWHSSHBSA-N |
| Popularity | 2 references in papers |
| Molecular Formula | C36H40N2O6 |
| Molecular Weight | 596.70 g/mol |
| Exact Mass | 596.28863700 g/mol |
| Topological Polar Surface Area (TPSA) | 94.90 Ų |
| XlogP | 6.00 |
| There are no found synonyms. |
![2D Structure of (1S)-1-[[4-[2-hydroxy-5-[[(1R)-7-hydroxy-6-methoxy-2-methyl-3,4-dihydro-1H-isoquinolin-1-yl]methyl]phenoxy]phenyl]methyl]-7-methoxy-2-methyl-3,4-dihydro-1H-isoquinolin-6-ol](https://plantaedb.com/storage/docs/compounds/2023/11/0c21d170-863e-11ee-b9c5-d551e7022791.jpg "2D Structure of (1S)-1-[[4-[2-hydroxy-5-[[(1R)-7-hydroxy-6-methoxy-2-methyl-3,4-dihydro-1H-isoquinolin-1-yl]methyl]phenoxy]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 | 99.36% | 96.09% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 95.56% | 91.11% |
| CHEMBL1907603 | Q05586 | Glutamate NMDA receptor; GRIN1/GRIN2B | 94.62% | 95.89% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 94.21% | 95.89% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 94.11% | 85.14% |
| CHEMBL4208 | P20618 | Proteasome component C5 | 93.97% | 90.00% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 93.73% | 95.56% |
| CHEMBL2581 | P07339 | Cathepsin D | 93.24% | 98.95% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 91.91% | 94.00% |
| CHEMBL5469 | Q14289 | Protein tyrosine kinase 2 beta | 90.73% | 91.03% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 89.50% | 99.17% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 88.92% | 86.33% |
| CHEMBL2535 | P11166 | Glucose transporter | 88.84% | 98.75% |
| CHEMBL2056 | P21728 | Dopamine D1 receptor | 88.57% | 91.00% |
| CHEMBL2373 | P21730 | C5a anaphylatoxin chemotactic receptor | 88.00% | 92.62% |
| CHEMBL3192 | Q9BY41 | Histone deacetylase 8 | 87.31% | 93.99% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 86.98% | 94.45% |
| CHEMBL1951 | P21397 | Monoamine oxidase A | 83.98% | 91.49% |
| CHEMBL1860 | P10827 | Thyroid hormone receptor alpha | 83.07% | 99.15% |
| CHEMBL5747 | Q92793 | CREB-binding protein | 82.38% | 95.12% |
| CHEMBL261 | P00915 | Carbonic anhydrase I | 82.30% | 96.76% |
| CHEMBL3820 | P35557 | Hexokinase type IV | 81.93% | 91.96% |
| CHEMBL3438 | Q05513 | Protein kinase C zeta | 81.64% | 88.48% |
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 81.51% | 97.25% |
| CHEMBL4895 | P30530 | Tyrosine-protein kinase receptor UFO | 81.17% | 90.95% |
| CHEMBL241 | Q14432 | Phosphodiesterase 3A | 81.12% | 92.94% |
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 | 102145796 |
| LOTUS | LTS0108528 |
| wikiData | Q105240641 |