(8aR)-5-(1,3-benzodioxol-5-yl)-8a,9-dihydro-8H-[2]benzofuro[6,5-f][1,3]benzodioxol-6-one
| Internal ID | 8a757629-04a3-47b3-9798-7e11109e2078 |
| Taxonomy | Lignans, neolignans and related compounds > Lignan lactones |
| IUPAC Name | (8aR)-5-(1,3-benzodioxol-5-yl)-8a,9-dihydro-8H-[2]benzofuro[6,5-f][1,3]benzodioxol-6-one |
| SMILES (Canonical) | C1C2COC(=O)C2=C(C3=CC4=C(C=C31)OCO4)C5=CC6=C(C=C5)OCO6 |
| SMILES (Isomeric) | C1[C@H]2COC(=O)C2=C(C3=CC4=C(C=C31)OCO4)C5=CC6=C(C=C5)OCO6 |
| InChI | InChI=1S/C20H14O6/c21-20-19-12(7-22-20)3-11-5-16-17(26-9-25-16)6-13(11)18(19)10-1-2-14-15(4-10)24-8-23-14/h1-2,4-6,12H,3,7-9H2/t12-/m0/s1 |
| InChI Key | FARHQKNGMYOEBH-LBPRGKRZSA-N |
| Popularity | 2 references in papers |
| Molecular Formula | C20H14O6 |
| Molecular Weight | 350.30 g/mol |
| Exact Mass | 350.07903816 g/mol |
| Topological Polar Surface Area (TPSA) | 63.20 Ų |
| XlogP | 2.90 |
| There are no found synonyms. |
![2D Structure of (8aR)-5-(1,3-benzodioxol-5-yl)-8a,9-dihydro-8H-[2]benzofuro[6,5-f][1,3]benzodioxol-6-one](https://plantaedb.com/storage/docs/compounds/2023/11/8ar-5-13-benzodioxol-5-yl-8a9-dihydro-8h-2benzofuro65-f13benzodioxol-6-one.jpg "2D Structure of (8aR)-5-(1,3-benzodioxol-5-yl)-8a,9-dihydro-8H-[2]benzofuro[6,5-f][1,3]benzodioxol-6-one")
| 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 |
|---|---|---|---|---|
| CHEMBL2581 | P07339 | Cathepsin D | 96.14% | 98.95% |
| CHEMBL4225 | P49760 | Dual specificity protein kinase CLK2 | 95.95% | 80.96% |
| CHEMBL5697 | Q9GZT9 | Egl nine homolog 1 | 94.64% | 93.40% |
| CHEMBL4481 | P35228 | Nitric oxide synthase, inducible | 93.24% | 94.80% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 92.30% | 91.11% |
| CHEMBL2039 | P27338 | Monoamine oxidase B | 92.30% | 92.51% |
| CHEMBL1951 | P21397 | Monoamine oxidase A | 91.27% | 91.49% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 91.08% | 94.45% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 89.75% | 86.33% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 89.34% | 95.56% |
| CHEMBL4303 | P08238 | Heat shock protein HSP 90-beta | 88.28% | 96.77% |
| CHEMBL2850 | P49840 | Glycogen synthase kinase-3 alpha | 86.13% | 88.84% |
| CHEMBL2094127 | P06493 | Cyclin-dependent kinase 1/cyclin B | 86.08% | 96.00% |
| CHEMBL240 | Q12809 | HERG | 85.97% | 89.76% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 85.89% | 100.00% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 84.83% | 97.09% |
| CHEMBL1841 | P06241 | Tyrosine-protein kinase FYN | 84.16% | 81.29% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 84.00% | 89.00% |
| CHEMBL2373 | P21730 | C5a anaphylatoxin chemotactic receptor | 82.03% | 92.62% |
| CHEMBL1293255 | P15428 | 15-hydroxyprostaglandin dehydrogenase [NAD+] | 82.02% | 83.57% |
| CHEMBL5339 | Q5NUL3 | G-protein coupled receptor 120 | 81.21% | 95.78% |
| CHEMBL3038469 | P24941 | CDK2/Cyclin A | 81.17% | 91.38% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 80.38% | 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.
| Cleistanthus collinus |
| Linum perenne |
| PubChem | 92161701 |
| LOTUS | LTS0233932 |
| wikiData | Q104992401 |