5-Methoxy-2-(7-methoxy-1,3-benzodioxol-5-yl)-3-methyl-3a-prop-2-enyl-2,3-dihydro-1-benzofuran-6-one
| Internal ID | 0854d614-8ea1-4773-b7d8-9c03be7dd9fb |
| Taxonomy | Phenylpropanoids and polyketides > 2-arylbenzofuran flavonoids |
| IUPAC Name | 5-methoxy-2-(7-methoxy-1,3-benzodioxol-5-yl)-3-methyl-3a-prop-2-enyl-2,3-dihydro-1-benzofuran-6-one |
| SMILES (Canonical) | CC1C(OC2=CC(=O)C(=CC12CC=C)OC)C3=CC4=C(C(=C3)OC)OCO4 |
| SMILES (Isomeric) | CC1C(OC2=CC(=O)C(=CC12CC=C)OC)C3=CC4=C(C(=C3)OC)OCO4 |
| InChI | InChI=1S/C21H22O6/c1-5-6-21-10-17(24-4)14(22)9-18(21)27-19(12(21)2)13-7-15(23-3)20-16(8-13)25-11-26-20/h5,7-10,12,19H,1,6,11H2,2-4H3 |
| InChI Key | URBCBHTUEUNACZ-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) | 63.20 Ų |
| XlogP | 3.80 |
| 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 | 99.08% | 91.11% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 97.25% | 96.09% |
| CHEMBL4303 | P08238 | Heat shock protein HSP 90-beta | 95.40% | 96.77% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 94.94% | 95.56% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 93.90% | 97.09% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 93.03% | 86.33% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 90.14% | 85.14% |
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 89.51% | 97.25% |
| CHEMBL241 | Q14432 | Phosphodiesterase 3A | 89.16% | 92.94% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 87.97% | 94.45% |
| CHEMBL2373 | P21730 | C5a anaphylatoxin chemotactic receptor | 87.64% | 92.62% |
| CHEMBL3231 | Q13464 | Rho-associated protein kinase 1 | 87.48% | 95.55% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 86.91% | 89.00% |
| CHEMBL4793 | Q86TI2 | Dipeptidyl peptidase IX | 86.77% | 96.95% |
| CHEMBL1075094 | Q16236 | Nuclear factor erythroid 2-related factor 2 | 85.30% | 96.00% |
| CHEMBL2581 | P07339 | Cathepsin D | 84.14% | 98.95% |
| CHEMBL4530 | P00488 | Coagulation factor XIII | 83.10% | 96.00% |
| CHEMBL4478 | Q00975 | Voltage-gated N-type calcium channel alpha-1B subunit | 83.09% | 97.14% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 82.49% | 95.89% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 82.40% | 100.00% |
| CHEMBL3091268 | Q92753 | Nuclear receptor ROR-beta | 82.34% | 95.50% |
| CHEMBL4208 | P20618 | Proteasome component C5 | 82.01% | 90.00% |
| CHEMBL2781 | P19634 | Sodium/hydrogen exchanger 1 | 81.32% | 90.24% |
| CHEMBL4247 | Q9UM73 | ALK tyrosine kinase receptor | 81.24% | 96.86% |
| CHEMBL2413 | P32246 | C-C chemokine receptor type 1 | 80.94% | 89.50% |
| CHEMBL4481 | P35228 | Nitric oxide synthase, inducible | 80.48% | 94.80% |
| CHEMBL5697 | Q9GZT9 | Egl nine homolog 1 | 80.01% | 93.40% |
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 | 73830475 |
| LOTUS | LTS0033444 |
| wikiData | Q104198747 |