(1S)-1-[(3-hydroxy-4-methoxyphenyl)methyl]-7-methoxy-2-methyl-3,4-dihydro-1H-isoquinolin-6-ol
| Internal ID | a5c7155a-521e-4ec1-b477-b87545e13dfc |
| Taxonomy | Organoheterocyclic compounds > Isoquinolines and derivatives > Benzylisoquinolines |
| IUPAC Name | (1S)-1-[(3-hydroxy-4-methoxyphenyl)methyl]-7-methoxy-2-methyl-3,4-dihydro-1H-isoquinolin-6-ol |
| SMILES (Canonical) | CN1CCC2=CC(=C(C=C2C1CC3=CC(=C(C=C3)OC)O)OC)O |
| SMILES (Isomeric) | CN1CCC2=CC(=C(C=C2[C@@H]1CC3=CC(=C(C=C3)OC)O)OC)O |
| InChI | InChI=1S/C19H23NO4/c1-20-7-6-13-10-17(22)19(24-3)11-14(13)15(20)8-12-4-5-18(23-2)16(21)9-12/h4-5,9-11,15,21-22H,6-8H2,1-3H3/t15-/m0/s1 |
| InChI Key | HZRFPHXHCRIHFX-HNNXBMFYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C19H23NO4 |
| Molecular Weight | 329.40 g/mol |
| Exact Mass | 329.16270821 g/mol |
| Topological Polar Surface Area (TPSA) | 62.20 Ų |
| XlogP | 3.00 |
| There are no found synonyms. |
![2D Structure of (1S)-1-[(3-hydroxy-4-methoxyphenyl)methyl]-7-methoxy-2-methyl-3,4-dihydro-1H-isoquinolin-6-ol](https://plantaedb.com/storage/docs/compounds/2023/11/1s-1-3-hydroxy-4-methoxyphenylmethyl-7-methoxy-2-methyl-34-dihydro-1h-isoquinolin-6-ol.jpg "2D Structure of (1S)-1-[(3-hydroxy-4-methoxyphenyl)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 | 99.44% | 96.09% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 97.49% | 85.14% |
| CHEMBL2581 | P07339 | Cathepsin D | 95.52% | 98.95% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 93.03% | 94.45% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 92.82% | 95.89% |
| CHEMBL1907603 | Q05586 | Glutamate NMDA receptor; GRIN1/GRIN2B | 92.07% | 95.89% |
| CHEMBL1951 | P21397 | Monoamine oxidase A | 91.87% | 91.49% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 89.43% | 94.00% |
| CHEMBL261 | P00915 | Carbonic anhydrase I | 89.39% | 96.76% |
| CHEMBL3192 | Q9BY41 | Histone deacetylase 8 | 89.20% | 93.99% |
| CHEMBL4208 | P20618 | Proteasome component C5 | 88.54% | 90.00% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 88.32% | 95.56% |
| CHEMBL2535 | P11166 | Glucose transporter | 87.91% | 98.75% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 87.33% | 86.33% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 87.24% | 91.11% |
| CHEMBL5697 | Q9GZT9 | Egl nine homolog 1 | 84.63% | 93.40% |
| CHEMBL2373 | P21730 | C5a anaphylatoxin chemotactic receptor | 84.28% | 92.62% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 83.65% | 99.17% |
| CHEMBL217 | P14416 | Dopamine D2 receptor | 83.34% | 95.62% |
| CHEMBL2056 | P21728 | Dopamine D1 receptor | 83.05% | 91.00% |
| CHEMBL5747 | Q92793 | CREB-binding protein | 82.65% | 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.
| Erythrina variegata |
| Stephania cephalantha |
| Xylopia parviflora |
| PubChem | 9862290 |
| LOTUS | LTS0253492 |
| wikiData | Q105035813 |