(6,7-Dimethoxy-2-methylisoquinolin-2-ium-1-yl)-(3-hydroxy-4-methoxyphenyl)methanone
| Internal ID | a9592acb-a96f-4bcf-9265-0054f845142f |
| Taxonomy | Organoheterocyclic compounds > Isoquinolines and derivatives > Benzylisoquinolines |
| IUPAC Name | (6,7-dimethoxy-2-methylisoquinolin-2-ium-1-yl)-(3-hydroxy-4-methoxyphenyl)methanone |
| SMILES (Canonical) | C[N+]1=C(C2=CC(=C(C=C2C=C1)OC)OC)C(=O)C3=CC(=C(C=C3)OC)O |
| SMILES (Isomeric) | C[N+]1=C(C2=CC(=C(C=C2C=C1)OC)OC)C(=O)C3=CC(=C(C=C3)OC)O |
| InChI | InChI=1S/C20H19NO5/c1-21-8-7-12-10-17(25-3)18(26-4)11-14(12)19(21)20(23)13-5-6-16(24-2)15(22)9-13/h5-11H,1-4H3/p+1 |
| InChI Key | PHPIFKHJYINVDM-UHFFFAOYSA-O |
| Popularity | 1 reference in papers |
| Molecular Formula | C20H20NO5+ |
| Molecular Weight | 354.40 g/mol |
| Exact Mass | 354.13414774 g/mol |
| Topological Polar Surface Area (TPSA) | 68.90 Ų |
| XlogP | 3.50 |
| There are no found synonyms. |
| 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 |
|---|---|---|---|---|
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 94.39% | 86.33% |
| CHEMBL1951 | P21397 | Monoamine oxidase A | 93.66% | 91.49% |
| CHEMBL2535 | P11166 | Glucose transporter | 92.03% | 98.75% |
| CHEMBL1255126 | O15151 | Protein Mdm4 | 90.74% | 90.20% |
| CHEMBL241 | Q14432 | Phosphodiesterase 3A | 90.48% | 92.94% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 90.16% | 91.11% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 89.39% | 95.56% |
| CHEMBL3194 | P02766 | Transthyretin | 89.24% | 90.71% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 88.75% | 99.17% |
| CHEMBL4208 | P20618 | Proteasome component C5 | 85.34% | 90.00% |
| CHEMBL1075094 | Q16236 | Nuclear factor erythroid 2-related factor 2 | 84.57% | 96.00% |
| CHEMBL3192 | Q9BY41 | Histone deacetylase 8 | 82.15% | 93.99% |
| CHEMBL3091268 | Q92753 | Nuclear receptor ROR-beta | 81.65% | 95.50% |
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.
| Thalictrum przewalskii |
| PubChem | 10896139 |
| LOTUS | LTS0154809 |
| wikiData | Q105209144 |