4-[[(1R)-5,6,7-trimethoxy-2-methyl-3,4-dihydro-1H-isoquinolin-1-yl]methyl]phenol
| Internal ID | e1c2cb82-1a5d-4469-90f2-d1706e7ad278 |
| Taxonomy | Organoheterocyclic compounds > Isoquinolines and derivatives > Benzylisoquinolines |
| IUPAC Name | 4-[[(1R)-5,6,7-trimethoxy-2-methyl-3,4-dihydro-1H-isoquinolin-1-yl]methyl]phenol |
| SMILES (Canonical) | CN1CCC2=C(C(=C(C=C2C1CC3=CC=C(C=C3)O)OC)OC)OC |
| SMILES (Isomeric) | CN1CCC2=C(C(=C(C=C2[C@H]1CC3=CC=C(C=C3)O)OC)OC)OC |
| InChI | InChI=1S/C20H25NO4/c1-21-10-9-15-16(12-18(23-2)20(25-4)19(15)24-3)17(21)11-13-5-7-14(22)8-6-13/h5-8,12,17,22H,9-11H2,1-4H3/t17-/m1/s1 |
| InChI Key | VCPVGXBVJATFMB-QGZVFWFLSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C20H25NO4 |
| Molecular Weight | 343.40 g/mol |
| Exact Mass | 343.17835828 g/mol |
| Topological Polar Surface Area (TPSA) | 51.20 Ų |
| XlogP | 3.30 |
| There are no found synonyms. |
![2D Structure of 4-[[(1R)-5,6,7-trimethoxy-2-methyl-3,4-dihydro-1H-isoquinolin-1-yl]methyl]phenol](https://plantaedb.com/storage/docs/compounds/2023/11/4-1r-567-trimethoxy-2-methyl-34-dihydro-1h-isoquinolin-1-ylmethylphenol.jpg "2D Structure of 4-[[(1R)-5,6,7-trimethoxy-2-methyl-3,4-dihydro-1H-isoquinolin-1-yl]methyl]phenol")
| 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 | 99.08% | 96.09% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 98.62% | 85.14% |
| CHEMBL2581 | P07339 | Cathepsin D | 95.85% | 98.95% |
| CHEMBL1907603 | Q05586 | Glutamate NMDA receptor; GRIN1/GRIN2B | 94.91% | 95.89% |
| CHEMBL4208 | P20618 | Proteasome component C5 | 90.45% | 90.00% |
| CHEMBL2535 | P11166 | Glucose transporter | 90.31% | 98.75% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 89.70% | 95.89% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 89.60% | 94.45% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 89.31% | 91.11% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 88.47% | 99.17% |
| CHEMBL5747 | Q92793 | CREB-binding protein | 87.46% | 95.12% |
| CHEMBL5697 | Q9GZT9 | Egl nine homolog 1 | 87.29% | 93.40% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 87.25% | 95.56% |
| CHEMBL3192 | Q9BY41 | Histone deacetylase 8 | 86.99% | 93.99% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 86.72% | 86.33% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 85.19% | 94.00% |
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 83.14% | 97.25% |
| CHEMBL2069156 | Q14145 | Kelch-like ECH-associated protein 1 | 83.10% | 82.38% |
| CHEMBL261 | P00915 | Carbonic anhydrase I | 82.56% | 96.76% |
| CHEMBL3820 | P35557 | Hexokinase type IV | 82.21% | 91.96% |
| CHEMBL215 | P09917 | Arachidonate 5-lipoxygenase | 81.59% | 92.68% |
| CHEMBL2274 | Q9H228 | Sphingosine 1-phosphate receptor Edg-8 | 80.62% | 100.00% |
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.
| Thalictrum fendleri |
| PubChem | 163070936 |
| LOTUS | LTS0208204 |
| wikiData | Q105283880 |