2,3-dimethoxy-6-[(4-methoxy-6-methyl-7,8-dihydro-5H-[1,3]dioxolo[4,5-g]isoquinolin-5-yl)methyl]benzaldehyde
| Internal ID | e3f672c2-8ee3-4ff1-8bac-d5d10f43a0db |
| Taxonomy | Organoheterocyclic compounds > Isoquinolines and derivatives > Benzylisoquinolines |
| IUPAC Name | 2,3-dimethoxy-6-[(4-methoxy-6-methyl-7,8-dihydro-5H-[1,3]dioxolo[4,5-g]isoquinolin-5-yl)methyl]benzaldehyde |
| SMILES (Canonical) | CN1CCC2=CC3=C(C(=C2C1CC4=C(C(=C(C=C4)OC)OC)C=O)OC)OCO3 |
| SMILES (Isomeric) | CN1CCC2=CC3=C(C(=C2C1CC4=C(C(=C(C=C4)OC)OC)C=O)OC)OCO3 |
| InChI | InChI=1S/C22H25NO6/c1-23-8-7-14-10-18-21(29-12-28-18)22(27-4)19(14)16(23)9-13-5-6-17(25-2)20(26-3)15(13)11-24/h5-6,10-11,16H,7-9,12H2,1-4H3 |
| InChI Key | VPUFDLFEKYXGRQ-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C22H25NO6 |
| Molecular Weight | 399.40 g/mol |
| Exact Mass | 399.16818752 g/mol |
| Topological Polar Surface Area (TPSA) | 66.50 Ų |
| XlogP | 3.00 |
| There are no found synonyms. |
![2D Structure of 2,3-dimethoxy-6-[(4-methoxy-6-methyl-7,8-dihydro-5H-[1,3]dioxolo[4,5-g]isoquinolin-5-yl)methyl]benzaldehyde](https://plantaedb.com/storage/docs/compounds/2023/11/1bbe22b0-85b1-11ee-aceb-e7bf3101ff7d.jpg "2D Structure of 2,3-dimethoxy-6-[(4-methoxy-6-methyl-7,8-dihydro-5H-[1,3]dioxolo[4,5-g]isoquinolin-5-yl)methyl]benzaldehyde")
| 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 | 98.01% | 96.09% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 97.31% | 95.56% |
| CHEMBL4303 | P08238 | Heat shock protein HSP 90-beta | 96.54% | 96.77% |
| CHEMBL261 | P00915 | Carbonic anhydrase I | 91.79% | 96.76% |
| CHEMBL5697 | Q9GZT9 | Egl nine homolog 1 | 90.96% | 93.40% |
| CHEMBL225 | P28335 | Serotonin 2c (5-HT2c) receptor | 89.92% | 89.62% |
| CHEMBL1907603 | Q05586 | Glutamate NMDA receptor; GRIN1/GRIN2B | 89.23% | 95.89% |
| CHEMBL2581 | P07339 | Cathepsin D | 88.50% | 98.95% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 88.32% | 86.33% |
| CHEMBL2373 | P21730 | C5a anaphylatoxin chemotactic receptor | 87.99% | 92.62% |
| CHEMBL3192 | Q9BY41 | Histone deacetylase 8 | 87.87% | 93.99% |
| CHEMBL2413 | P32246 | C-C chemokine receptor type 1 | 87.78% | 89.50% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 87.03% | 94.45% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 86.81% | 94.00% |
| CHEMBL1075094 | Q16236 | Nuclear factor erythroid 2-related factor 2 | 85.16% | 96.00% |
| CHEMBL2069156 | Q14145 | Kelch-like ECH-associated protein 1 | 84.51% | 82.38% |
| CHEMBL4208 | P20618 | Proteasome component C5 | 84.08% | 90.00% |
| CHEMBL5311 | P37023 | Serine/threonine-protein kinase receptor R3 | 81.65% | 82.67% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 80.57% | 95.89% |
| CHEMBL2146302 | O94925 | Glutaminase kidney isoform, mitochondrial | 80.56% | 100.00% |
| CHEMBL2335 | P42785 | Lysosomal Pro-X carboxypeptidase | 80.28% | 100.00% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 80.27% | 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.
| Papaver orientale |
| PubChem | 162937121 |
| LOTUS | LTS0221913 |
| wikiData | Q105291010 |