5-(4,5-Dimethoxy-2-methylnaphthalen-1-yl)-6,8-dimethoxy-1,3-dimethylisoquinoline
| Internal ID | 594a5c47-1e07-4e2f-a8a3-f0e617e8beef |
| Taxonomy | Organoheterocyclic compounds > Isoquinolines and derivatives > Naphthylisoquinolines |
| IUPAC Name | 5-(4,5-dimethoxy-2-methylnaphthalen-1-yl)-6,8-dimethoxy-1,3-dimethylisoquinoline |
| SMILES (Canonical) | CC1=CC(=C2C(=C1C3=C(C=C(C4=C3C=C(N=C4C)C)OC)OC)C=CC=C2OC)OC |
| SMILES (Isomeric) | CC1=CC(=C2C(=C1C3=C(C=C(C4=C3C=C(N=C4C)C)OC)OC)C=CC=C2OC)OC |
| InChI | InChI=1S/C26H27NO4/c1-14-11-20(29-5)25-17(9-8-10-19(25)28-4)23(14)26-18-12-15(2)27-16(3)24(18)21(30-6)13-22(26)31-7/h8-13H,1-7H3 |
| InChI Key | QBSXCHJZQYRZJD-UHFFFAOYSA-N |
| Popularity | 2 references in papers |
| Molecular Formula | C26H27NO4 |
| Molecular Weight | 417.50 g/mol |
| Exact Mass | 417.19400834 g/mol |
| Topological Polar Surface Area (TPSA) | 49.80 Ų |
| XlogP | 6.00 |
| 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 |
|---|---|---|---|---|
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 94.77% | 95.56% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 94.41% | 86.33% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 93.06% | 94.00% |
| CHEMBL1907 | P15144 | Aminopeptidase N | 92.90% | 93.31% |
| CHEMBL4306 | P22460 | Voltage-gated potassium channel subunit Kv1.5 | 92.71% | 94.03% |
| CHEMBL2535 | P11166 | Glucose transporter | 92.53% | 98.75% |
| CHEMBL1075094 | Q16236 | Nuclear factor erythroid 2-related factor 2 | 92.40% | 96.00% |
| CHEMBL2581 | P07339 | Cathepsin D | 89.09% | 98.95% |
| CHEMBL3192 | Q9BY41 | Histone deacetylase 8 | 88.64% | 93.99% |
| CHEMBL1255126 | O15151 | Protein Mdm4 | 87.83% | 90.20% |
| CHEMBL3091268 | Q92753 | Nuclear receptor ROR-beta | 87.58% | 95.50% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 87.38% | 94.73% |
| CHEMBL240 | Q12809 | HERG | 87.27% | 89.76% |
| CHEMBL5409 | Q8TDU6 | G-protein coupled bile acid receptor 1 | 87.10% | 93.65% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 86.48% | 91.11% |
| CHEMBL2146302 | O94925 | Glutaminase kidney isoform, mitochondrial | 86.16% | 100.00% |
| CHEMBL1860 | P10827 | Thyroid hormone receptor alpha | 85.80% | 99.15% |
| CHEMBL225 | P28335 | Serotonin 2c (5-HT2c) receptor | 85.71% | 89.62% |
| CHEMBL1868 | P17948 | Vascular endothelial growth factor receptor 1 | 85.35% | 96.47% |
| CHEMBL2335 | P42785 | Lysosomal Pro-X carboxypeptidase | 83.91% | 100.00% |
| CHEMBL3085 | P43003 | Excitatory amino acid transporter 1 | 83.43% | 94.67% |
| CHEMBL2378 | P30307 | Dual specificity phosphatase Cdc25C | 82.74% | 96.67% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 81.17% | 99.17% |
| CHEMBL2373 | P21730 | C5a anaphylatoxin chemotactic receptor | 80.84% | 92.62% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 80.57% | 99.23% |
| CHEMBL4145 | Q9UKV0 | Histone deacetylase 9 | 80.25% | 85.49% |
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.
| Ancistrocladus tectorius |
| PubChem | 14684438 |
| LOTUS | LTS0113940 |
| wikiData | Q105217988 |