1-[(4-hydroxyphenyl)methyl]-5,6-dimethoxy-2-methyl-3,4-dihydro-1H-isoquinolin-7-ol
| Internal ID | 69c08983-2e4e-47a6-80e3-26cb642459b1 |
| Taxonomy | Organoheterocyclic compounds > Isoquinolines and derivatives > Benzylisoquinolines |
| IUPAC Name | 1-[(4-hydroxyphenyl)methyl]-5,6-dimethoxy-2-methyl-3,4-dihydro-1H-isoquinolin-7-ol |
| SMILES (Canonical) | CN1CCC2=C(C(=C(C=C2C1CC3=CC=C(C=C3)O)O)OC)OC |
| SMILES (Isomeric) | CN1CCC2=C(C(=C(C=C2C1CC3=CC=C(C=C3)O)O)OC)OC |
| InChI | InChI=1S/C19H23NO4/c1-20-9-8-14-15(11-17(22)19(24-3)18(14)23-2)16(20)10-12-4-6-13(21)7-5-12/h4-7,11,16,21-22H,8-10H2,1-3H3 |
| InChI Key | QCRSUNBVFAWSEB-UHFFFAOYSA-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 1-[(4-hydroxyphenyl)methyl]-5,6-dimethoxy-2-methyl-3,4-dihydro-1H-isoquinolin-7-ol](https://plantaedb.com/storage/docs/compounds/2023/11/1-4-hydroxyphenylmethyl-56-dimethoxy-2-methyl-34-dihydro-1h-isoquinolin-7-ol.jpg "2D Structure of 1-[(4-hydroxyphenyl)methyl]-5,6-dimethoxy-2-methyl-3,4-dihydro-1H-isoquinolin-7-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 | 98.89% | 96.09% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 98.10% | 85.14% |
| CHEMBL2581 | P07339 | Cathepsin D | 97.33% | 98.95% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 94.67% | 91.11% |
| CHEMBL5697 | Q9GZT9 | Egl nine homolog 1 | 93.07% | 93.40% |
| CHEMBL1907603 | Q05586 | Glutamate NMDA receptor; GRIN1/GRIN2B | 92.97% | 95.89% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 91.54% | 94.45% |
| CHEMBL4208 | P20618 | Proteasome component C5 | 91.06% | 90.00% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 89.02% | 95.89% |
| CHEMBL3192 | Q9BY41 | Histone deacetylase 8 | 88.49% | 93.99% |
| CHEMBL2535 | P11166 | Glucose transporter | 87.23% | 98.75% |
| CHEMBL2107 | P61073 | C-X-C chemokine receptor type 4 | 85.57% | 93.10% |
| CHEMBL3820 | P35557 | Hexokinase type IV | 85.50% | 91.96% |
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 84.94% | 97.25% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 84.52% | 99.17% |
| CHEMBL261 | P00915 | Carbonic anhydrase I | 84.09% | 96.76% |
| CHEMBL215 | P09917 | Arachidonate 5-lipoxygenase | 83.81% | 92.68% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 83.51% | 94.00% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 82.12% | 86.33% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 81.92% | 95.56% |
| CHEMBL2069156 | Q14145 | Kelch-like ECH-associated protein 1 | 80.72% | 82.38% |
| CHEMBL2274 | Q9H228 | Sphingosine 1-phosphate receptor Edg-8 | 80.29% | 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.
| Annona cascarilloides |
| PubChem | 10991112 |
| LOTUS | LTS0020003 |
| wikiData | Q105218505 |