1-(1,3-Benzodioxol-5-yl)-6,7-dimethoxy-3-methylnaphthalene-2-carbaldehyde
| Internal ID | 47ff0203-2f79-4b08-8b27-e598dbb1910b |
| Taxonomy | Lignans, neolignans and related compounds > Arylnaphthalene lignans |
| IUPAC Name | 1-(1,3-benzodioxol-5-yl)-6,7-dimethoxy-3-methylnaphthalene-2-carbaldehyde |
| SMILES (Canonical) | |
| SMILES (Isomeric) | |
| InChI | InChI=1S/C21H18O5/c1-12-6-14-8-18(23-2)19(24-3)9-15(14)21(16(12)10-22)13-4-5-17-20(7-13)26-11-25-17/h4-10H,11H2,1-3H3 |
| InChI Key | AEZQCYJTOQVFPP-UHFFFAOYSA-N |
| Popularity | 2 references in papers |
| Molecular Formula | C21H18O5 |
| Molecular Weight | 350.40 g/mol |
| Exact Mass | 350.11542367 g/mol |
| Topological Polar Surface Area (TPSA) | 54.00 Ų |
| XlogP | 4.40 |
| 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 | 97.02% | 95.56% |
| CHEMBL4481 | P35228 | Nitric oxide synthase, inducible | 96.02% | 94.80% |
| CHEMBL4303 | P08238 | Heat shock protein HSP 90-beta | 95.88% | 96.77% |
| CHEMBL1163101 | O75460 | Serine/threonine-protein kinase/endoribonuclease IRE1 | 93.58% | 98.11% |
| CHEMBL1075094 | Q16236 | Nuclear factor erythroid 2-related factor 2 | 91.70% | 96.00% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 91.26% | 94.00% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 91.25% | 94.45% |
| CHEMBL2581 | P07339 | Cathepsin D | 91.21% | 98.95% |
| CHEMBL2373 | P21730 | C5a anaphylatoxin chemotactic receptor | 90.83% | 92.62% |
| CHEMBL5014 | O43353 | Serine/threonine-protein kinase RIPK2 | 89.94% | 86.79% |
| CHEMBL4225 | P49760 | Dual specificity protein kinase CLK2 | 87.74% | 80.96% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 87.51% | 94.73% |
| CHEMBL225 | P28335 | Serotonin 2c (5-HT2c) receptor | 87.23% | 89.62% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 86.91% | 86.33% |
| CHEMBL5925 | P22413 | Ectonucleotide pyrophosphatase/phosphodiesterase family member 1 | 85.80% | 92.38% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 84.28% | 91.11% |
| CHEMBL5311 | P37023 | Serine/threonine-protein kinase receptor R3 | 83.78% | 82.67% |
| CHEMBL2094127 | P06493 | Cyclin-dependent kinase 1/cyclin B | 82.34% | 96.00% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 82.14% | 85.14% |
| CHEMBL4940 | P07195 | L-lactate dehydrogenase B chain | 81.55% | 95.53% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 81.37% | 89.00% |
| CHEMBL1907 | P15144 | Aminopeptidase N | 80.94% | 93.31% |
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.
| Virola sebifera |
| PubChem | 162912962 |
| LOTUS | LTS0070457 |
| wikiData | Q104910823 |