(1S)-1-[(3,4-dimethoxyphenyl)methyl]-7-methoxy-2-methyl-3,4-dihydro-1H-isoquinolin-6-ol
| Internal ID | 1d369051-46c4-495a-953b-5560a5ac4c7c |
| Taxonomy | Organoheterocyclic compounds > Isoquinolines and derivatives > Benzylisoquinolines |
| IUPAC Name | (1S)-1-[(3,4-dimethoxyphenyl)methyl]-7-methoxy-2-methyl-3,4-dihydro-1H-isoquinolin-6-ol |
| SMILES (Canonical) | |
| SMILES (Isomeric) | |
| InChI | InChI=1S/C20H25NO4/c1-21-8-7-14-11-17(22)19(24-3)12-15(14)16(21)9-13-5-6-18(23-2)20(10-13)25-4/h5-6,10-12,16,22H,7-9H2,1-4H3/t16-/m0/s1 |
| InChI Key | MOHQPHOGSYSNPJ-INIZCTEOSA-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 (1S)-1-[(3,4-dimethoxyphenyl)methyl]-7-methoxy-2-methyl-3,4-dihydro-1H-isoquinolin-6-ol](https://plantaedb.com/storage/docs/compounds/2023/11/1s-1-34-dimethoxyphenylmethyl-7-methoxy-2-methyl-34-dihydro-1h-isoquinolin-6-ol.jpg "2D Structure of (1S)-1-[(3,4-dimethoxyphenyl)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 | 99.32% | 96.09% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 97.82% | 85.14% |
| CHEMBL2581 | P07339 | Cathepsin D | 95.99% | 98.95% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 93.51% | 95.89% |
| CHEMBL241 | Q14432 | Phosphodiesterase 3A | 91.03% | 92.94% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 90.80% | 94.45% |
| CHEMBL261 | P00915 | Carbonic anhydrase I | 90.77% | 96.76% |
| CHEMBL3192 | Q9BY41 | Histone deacetylase 8 | 90.62% | 93.99% |
| CHEMBL1907603 | Q05586 | Glutamate NMDA receptor; GRIN1/GRIN2B | 90.08% | 95.89% |
| CHEMBL2535 | P11166 | Glucose transporter | 89.97% | 98.75% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 88.42% | 86.33% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 88.17% | 94.00% |
| CHEMBL5747 | Q92793 | CREB-binding protein | 87.84% | 95.12% |
| CHEMBL4208 | P20618 | Proteasome component C5 | 87.75% | 90.00% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 86.94% | 95.56% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 85.26% | 91.11% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 83.86% | 99.17% |
| CHEMBL1951 | P21397 | Monoamine oxidase A | 83.57% | 91.49% |
| CHEMBL3474 | P14555 | Phospholipase A2 group IIA | 83.47% | 94.05% |
| CHEMBL2056 | P21728 | Dopamine D1 receptor | 82.51% | 91.00% |
| CHEMBL5555 | O00767 | Acyl-CoA desaturase | 81.75% | 97.50% |
| CHEMBL2373 | P21730 | C5a anaphylatoxin chemotactic receptor | 81.51% | 92.62% |
| CHEMBL217 | P14416 | Dopamine D2 receptor | 81.41% | 95.62% |
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.
| Roemeria refracta |
| PubChem | 13405606 |
| LOTUS | LTS0100086 |
| wikiData | Q105168905 |