Retrochinensin
| Internal ID | fab4aa87-c93f-49c5-b958-c3176570f6f7 |
| Taxonomy | Lignans, neolignans and related compounds > Arylnaphthalene lignans |
| IUPAC Name | 5-(3,4-dimethoxyphenyl)-6H-[2]benzofuro[6,5-f][1,3]benzodioxol-8-one |
| SMILES (Canonical) | COC1=C(C=C(C=C1)C2=C3C=C4C(=CC3=CC5=C2COC5=O)OCO4)OC |
| SMILES (Isomeric) | COC1=C(C=C(C=C1)C2=C3C=C4C(=CC3=CC5=C2COC5=O)OCO4)OC |
| InChI | InChI=1S/C21H16O6/c1-23-16-4-3-11(6-17(16)24-2)20-13-8-19-18(26-10-27-19)7-12(13)5-14-15(20)9-25-21(14)22/h3-8H,9-10H2,1-2H3 |
| InChI Key | YYPFAIGJJDNPII-UHFFFAOYSA-N |
| Popularity | 5 references in papers |
| Molecular Formula | C21H16O6 |
| Molecular Weight | 364.30 g/mol |
| Exact Mass | 364.09468823 g/mol |
| Topological Polar Surface Area (TPSA) | 63.20 Ų |
| XlogP | 4.00 |
| 5707-96-0 |
| NSC254665 |
| FPB7483LCY |
| CHEMBL440125 |
| NSC-254665 |
| 9-(3,4-Dimethoxy-phenyl)-8-H-furo(3',4':6,7)naphtho(2,3-d)(1,3)dioxol-6-one |
| NSC 254665 |
| 9-(3,4-Dimethoxy-phenyl)-8-H-furo[3',4':6,7]naphtho[2,3-d][1,3]dioxol-6-one |
| UNII-FPB7483LCY |
| DTXSID80972539 |
| There are more than 10 synonyms. If you wish to see them all click here. |
| 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 |
|---|---|---|---|---|
| CHEMBL4303 | P08238 | Heat shock protein HSP 90-beta | 97.70% | 96.77% |
| CHEMBL2581 | P07339 | Cathepsin D | 95.81% | 98.95% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 94.25% | 94.00% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 94.10% | 86.33% |
| CHEMBL5925 | P22413 | Ectonucleotide pyrophosphatase/phosphodiesterase family member 1 | 92.76% | 92.38% |
| CHEMBL2002 | P12268 | Inosine-5'-monophosphate dehydrogenase 2 | 92.34% | 98.21% |
| CHEMBL3880 | P07900 | Heat shock protein HSP 90-alpha | 91.99% | 96.21% |
| CHEMBL2535 | P11166 | Glucose transporter | 91.24% | 98.75% |
| CHEMBL2373 | P21730 | C5a anaphylatoxin chemotactic receptor | 90.50% | 92.62% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 90.22% | 95.56% |
| CHEMBL5747 | Q92793 | CREB-binding protein | 90.10% | 95.12% |
| CHEMBL4302 | P08183 | P-glycoprotein 1 | 89.77% | 92.98% |
| CHEMBL1907 | P15144 | Aminopeptidase N | 88.66% | 93.31% |
| CHEMBL2717 | Q9HCR9 | Phosphodiesterase 11A | 88.26% | 85.00% |
| CHEMBL240 | Q12809 | HERG | 87.99% | 89.76% |
| CHEMBL1966 | Q02127 | Dihydroorotate dehydrogenase | 86.43% | 96.09% |
| CHEMBL5311 | P37023 | Serine/threonine-protein kinase receptor R3 | 86.30% | 82.67% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 86.18% | 85.14% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 85.31% | 96.09% |
| CHEMBL2094127 | P06493 | Cyclin-dependent kinase 1/cyclin B | 85.24% | 96.00% |
| CHEMBL2378 | P30307 | Dual specificity phosphatase Cdc25C | 84.58% | 96.67% |
| CHEMBL4940 | P07195 | L-lactate dehydrogenase B chain | 84.06% | 95.53% |
| CHEMBL241 | Q14432 | Phosphodiesterase 3A | 83.33% | 92.94% |
| CHEMBL1951 | P21397 | Monoamine oxidase A | 83.20% | 91.49% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 83.20% | 95.89% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 82.53% | 99.23% |
| CHEMBL5697 | Q9GZT9 | Egl nine homolog 1 | 82.43% | 93.40% |
| CHEMBL3438 | Q05513 | Protein kinase C zeta | 82.39% | 88.48% |
| CHEMBL4481 | P35228 | Nitric oxide synthase, inducible | 81.98% | 94.80% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 81.45% | 89.00% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 81.36% | 94.45% |
| CHEMBL5339 | Q5NUL3 | G-protein coupled receptor 120 | 81.08% | 95.78% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 80.38% | 91.11% |
| CHEMBL1075094 | Q16236 | Nuclear factor erythroid 2-related factor 2 | 80.23% | 96.00% |
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.
| PubChem | 122805 |
| LOTUS | LTS0163462 |
| wikiData | Q82956320 |