1-[(2-Hydroxy-3,4-dimethoxyphenyl)methylidene]-6,7-dimethoxy-3,4-dihydroisoquinoline-2-carbaldehyde
| Internal ID | 218dd358-3d19-4892-814a-10741b8a3ac6 |
| Taxonomy | Organoheterocyclic compounds > Tetrahydroisoquinolines |
| IUPAC Name | 1-[(2-hydroxy-3,4-dimethoxyphenyl)methylidene]-6,7-dimethoxy-3,4-dihydroisoquinoline-2-carbaldehyde |
| SMILES (Canonical) | COC1=C(C(=C(C=C1)C=C2C3=CC(=C(C=C3CCN2C=O)OC)OC)O)OC |
| SMILES (Isomeric) | COC1=C(C(=C(C=C1)C=C2C3=CC(=C(C=C3CCN2C=O)OC)OC)O)OC |
| InChI | InChI=1S/C21H23NO6/c1-25-17-6-5-14(20(24)21(17)28-4)9-16-15-11-19(27-3)18(26-2)10-13(15)7-8-22(16)12-23/h5-6,9-12,24H,7-8H2,1-4H3 |
| InChI Key | YYHGQOLZRYICRS-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C21H23NO6 |
| Molecular Weight | 385.40 g/mol |
| Exact Mass | 385.15253745 g/mol |
| Topological Polar Surface Area (TPSA) | 77.50 Ų |
| XlogP | 2.90 |
| There are no found synonyms. |
![2D Structure of 1-[(2-Hydroxy-3,4-dimethoxyphenyl)methylidene]-6,7-dimethoxy-3,4-dihydroisoquinoline-2-carbaldehyde](https://plantaedb.com/storage/docs/compounds/2023/11/1-2-hydroxy-34-dimethoxyphenylmethylidene-67-dimethoxy-34-dihydroisoquinoline-2-carbaldehyde.jpg "2D Structure of 1-[(2-Hydroxy-3,4-dimethoxyphenyl)methylidene]-6,7-dimethoxy-3,4-dihydroisoquinoline-2-carbaldehyde")
| 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 | 97.03% | 96.09% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 95.59% | 86.33% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 94.78% | 95.56% |
| CHEMBL4208 | P20618 | Proteasome component C5 | 94.37% | 90.00% |
| CHEMBL2581 | P07339 | Cathepsin D | 93.11% | 98.95% |
| CHEMBL1163101 | O75460 | Serine/threonine-protein kinase/endoribonuclease IRE1 | 92.96% | 98.11% |
| CHEMBL241 | Q14432 | Phosphodiesterase 3A | 90.88% | 92.94% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 89.22% | 91.11% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 87.97% | 89.00% |
| CHEMBL5697 | Q9GZT9 | Egl nine homolog 1 | 87.55% | 93.40% |
| CHEMBL2056 | P21728 | Dopamine D1 receptor | 86.78% | 91.00% |
| CHEMBL2535 | P11166 | Glucose transporter | 86.54% | 98.75% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 86.34% | 94.00% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 85.57% | 95.89% |
| CHEMBL2085 | P14174 | Macrophage migration inhibitory factor | 85.29% | 80.78% |
| CHEMBL5747 | Q92793 | CREB-binding protein | 85.17% | 95.12% |
| CHEMBL1868 | P17948 | Vascular endothelial growth factor receptor 1 | 83.34% | 96.47% |
| CHEMBL1907603 | Q05586 | Glutamate NMDA receptor; GRIN1/GRIN2B | 82.17% | 95.89% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 81.67% | 99.17% |
| CHEMBL3492 | P49721 | Proteasome Macropain subunit | 81.61% | 90.24% |
| CHEMBL5925 | P22413 | Ectonucleotide pyrophosphatase/phosphodiesterase family member 1 | 80.65% | 92.38% |
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.
| Annickia polycarpa |
| PubChem | 442339 |
| LOTUS | LTS0074590 |
| wikiData | Q105368618 |