1-[(4-Hydroxy-3-methoxyphenyl)methyl]-6-methoxyisoquinolin-7-ol
| Internal ID | 83b0ebef-b34e-420e-9eaf-5629b616a08a |
| Taxonomy | Organoheterocyclic compounds > Isoquinolines and derivatives > Benzylisoquinolines |
| IUPAC Name | 1-[(4-hydroxy-3-methoxyphenyl)methyl]-6-methoxyisoquinolin-7-ol |
| SMILES (Canonical) | COC1=C(C=CC(=C1)CC2=NC=CC3=CC(=C(C=C32)O)OC)O |
| SMILES (Isomeric) | COC1=C(C=CC(=C1)CC2=NC=CC3=CC(=C(C=C32)O)OC)O |
| InChI | InChI=1S/C18H17NO4/c1-22-17-8-11(3-4-15(17)20)7-14-13-10-16(21)18(23-2)9-12(13)5-6-19-14/h3-6,8-10,20-21H,7H2,1-2H3 |
| InChI Key | RGKXIMNWLXONBW-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C18H17NO4 |
| Molecular Weight | 311.30 g/mol |
| Exact Mass | 311.11575802 g/mol |
| Topological Polar Surface Area (TPSA) | 71.80 Ų |
| XlogP | 3.30 |
| There are no found synonyms. |
![2D Structure of 1-[(4-Hydroxy-3-methoxyphenyl)methyl]-6-methoxyisoquinolin-7-ol](https://plantaedb.com/storage/docs/compounds/2023/11/1-4-hydroxy-3-methoxyphenylmethyl-6-methoxyisoquinolin-7-ol.jpg "2D Structure of 1-[(4-Hydroxy-3-methoxyphenyl)methyl]-6-methoxyisoquinolin-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 |
|---|---|---|---|---|
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 96.65% | 91.11% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 94.57% | 96.09% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 94.16% | 94.00% |
| CHEMBL1951 | P21397 | Monoamine oxidase A | 94.00% | 91.49% |
| CHEMBL1860 | P10827 | Thyroid hormone receptor alpha | 93.72% | 99.15% |
| CHEMBL3091268 | Q92753 | Nuclear receptor ROR-beta | 93.43% | 95.50% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 92.77% | 99.17% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 92.08% | 86.33% |
| CHEMBL5747 | Q92793 | CREB-binding protein | 91.18% | 95.12% |
| CHEMBL2535 | P11166 | Glucose transporter | 90.75% | 98.75% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 88.47% | 94.45% |
| CHEMBL2373 | P21730 | C5a anaphylatoxin chemotactic receptor | 87.40% | 92.62% |
| CHEMBL2581 | P07339 | Cathepsin D | 85.35% | 98.95% |
| CHEMBL225 | P28335 | Serotonin 2c (5-HT2c) receptor | 85.00% | 89.62% |
| CHEMBL2107 | P61073 | C-X-C chemokine receptor type 4 | 84.54% | 93.10% |
| CHEMBL1255126 | O15151 | Protein Mdm4 | 84.07% | 90.20% |
| CHEMBL241 | Q14432 | Phosphodiesterase 3A | 83.97% | 92.94% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 83.64% | 85.14% |
| CHEMBL4208 | P20618 | Proteasome component C5 | 82.54% | 90.00% |
| CHEMBL235 | P37231 | Peroxisome proliferator-activated receptor gamma | 80.40% | 95.39% |
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 crista-galli |
| PubChem | 2747743 |
| LOTUS | LTS0119562 |
| wikiData | Q105235929 |