(1R)-2-[(3,4-dimethoxyphenyl)methyl]-7-methoxy-1-methyl-3,4-dihydro-1H-isoquinolin-6-ol
| Internal ID | 78478830-6572-4287-87a8-ef44a8d509db |
| Taxonomy | Organoheterocyclic compounds > Isoquinolines and derivatives > Benzylisoquinolines |
| IUPAC Name | (1R)-2-[(3,4-dimethoxyphenyl)methyl]-7-methoxy-1-methyl-3,4-dihydro-1H-isoquinolin-6-ol |
| SMILES (Canonical) | CC1C2=CC(=C(C=C2CCN1CC3=CC(=C(C=C3)OC)OC)O)OC |
| SMILES (Isomeric) | C[C@@H]1C2=CC(=C(C=C2CCN1CC3=CC(=C(C=C3)OC)OC)O)OC |
| InChI | InChI=1S/C20H25NO4/c1-13-16-11-19(24-3)17(22)10-15(16)7-8-21(13)12-14-5-6-18(23-2)20(9-14)25-4/h5-6,9-11,13,22H,7-8,12H2,1-4H3/t13-/m1/s1 |
| InChI Key | DWWMSOMIMCXELY-CYBMUJFWSA-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 | 3.20 |
| There are no found synonyms. |
![2D Structure of (1R)-2-[(3,4-dimethoxyphenyl)methyl]-7-methoxy-1-methyl-3,4-dihydro-1H-isoquinolin-6-ol](https://plantaedb.com/storage/docs/compounds/2023/11/1r-2-34-dimethoxyphenylmethyl-7-methoxy-1-methyl-34-dihydro-1h-isoquinolin-6-ol.jpg "2D Structure of (1R)-2-[(3,4-dimethoxyphenyl)methyl]-7-methoxy-1-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 | 99.30% | 96.09% |
| CHEMBL241 | Q14432 | Phosphodiesterase 3A | 95.35% | 92.94% |
| CHEMBL2581 | P07339 | Cathepsin D | 94.71% | 98.95% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 93.27% | 95.89% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 91.91% | 86.33% |
| CHEMBL1163125 | O60885 | Bromodomain-containing protein 4 | 91.86% | 97.31% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 91.66% | 91.11% |
| CHEMBL3192 | Q9BY41 | Histone deacetylase 8 | 91.27% | 93.99% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 90.95% | 85.14% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 85.80% | 99.17% |
| CHEMBL4208 | P20618 | Proteasome component C5 | 85.71% | 90.00% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 85.18% | 94.00% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 85.00% | 95.56% |
| CHEMBL5697 | Q9GZT9 | Egl nine homolog 1 | 84.96% | 93.40% |
| CHEMBL3474 | P14555 | Phospholipase A2 group IIA | 84.72% | 94.05% |
| CHEMBL1907603 | Q05586 | Glutamate NMDA receptor; GRIN1/GRIN2B | 83.57% | 95.89% |
| CHEMBL2535 | P11166 | Glucose transporter | 83.36% | 98.75% |
| CHEMBL264 | Q9Y5N1 | Histamine H3 receptor | 82.76% | 91.43% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 82.25% | 94.45% |
| CHEMBL5469 | Q14289 | Protein tyrosine kinase 2 beta | 80.49% | 91.03% |
| CHEMBL5747 | Q92793 | CREB-binding protein | 80.44% | 95.12% |
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 nummularia |
| PubChem | 11256403 |
| LOTUS | LTS0123289 |
| wikiData | Q104990812 |