4-Methoxy-6-(5-methoxy-3-methyl-6-prop-2-enoxy-2,3-dihydro-1-benzofuran-2-yl)-1,3-benzodioxole
| Internal ID | 0be44e8e-2e4e-449d-9f69-b5a473f87a0e |
| Taxonomy | Phenylpropanoids and polyketides > 2-arylbenzofuran flavonoids |
| IUPAC Name | 4-methoxy-6-(5-methoxy-3-methyl-6-prop-2-enoxy-2,3-dihydro-1-benzofuran-2-yl)-1,3-benzodioxole |
| SMILES (Canonical) | CC1C(OC2=CC(=C(C=C12)OC)OCC=C)C3=CC4=C(C(=C3)OC)OCO4 |
| SMILES (Isomeric) | CC1C(OC2=CC(=C(C=C12)OC)OCC=C)C3=CC4=C(C(=C3)OC)OCO4 |
| InChI | InChI=1S/C21H22O6/c1-5-6-24-17-10-15-14(9-16(17)22-3)12(2)20(27-15)13-7-18(23-4)21-19(8-13)25-11-26-21/h5,7-10,12,20H,1,6,11H2,2-4H3 |
| InChI Key | YMSMXICTYNQJKX-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C21H22O6 |
| Molecular Weight | 370.40 g/mol |
| Exact Mass | 370.14163842 g/mol |
| Topological Polar Surface Area (TPSA) | 55.40 Ų |
| XlogP | 4.20 |
| 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 |
|---|---|---|---|---|
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 97.43% | 91.11% |
| CHEMBL240 | Q12809 | HERG | 96.76% | 89.76% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 96.17% | 96.09% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 92.40% | 86.33% |
| CHEMBL2373 | P21730 | C5a anaphylatoxin chemotactic receptor | 90.29% | 92.62% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 87.52% | 89.00% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 87.52% | 97.09% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 86.95% | 95.56% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 86.80% | 99.17% |
| CHEMBL225 | P28335 | Serotonin 2c (5-HT2c) receptor | 85.89% | 89.62% |
| CHEMBL241 | Q14432 | Phosphodiesterase 3A | 85.54% | 92.94% |
| CHEMBL5311 | P37023 | Serine/threonine-protein kinase receptor R3 | 85.10% | 82.67% |
| CHEMBL4303 | P08238 | Heat shock protein HSP 90-beta | 83.96% | 96.77% |
| CHEMBL2716 | Q8WUI4 | Histone deacetylase 7 | 83.55% | 89.44% |
| CHEMBL5925 | P22413 | Ectonucleotide pyrophosphatase/phosphodiesterase family member 1 | 81.72% | 92.38% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 81.63% | 85.14% |
| CHEMBL1075094 | Q16236 | Nuclear factor erythroid 2-related factor 2 | 81.23% | 96.00% |
| CHEMBL4208 | P20618 | Proteasome component C5 | 81.06% | 90.00% |
| CHEMBL2781 | P19634 | Sodium/hydrogen exchanger 1 | 81.01% | 90.24% |
| CHEMBL3091268 | Q92753 | Nuclear receptor ROR-beta | 80.91% | 95.50% |
| CHEMBL1907603 | Q05586 | Glutamate NMDA receptor; GRIN1/GRIN2B | 80.65% | 95.89% |
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.
| Aniba riparia |
| Aniba taubertiana |
| PubChem | 163029234 |
| LOTUS | LTS0058323 |
| wikiData | Q104201853 |