(3R)-3,3abeta,6,6abeta-Tetrahydro-3beta,6beta-bis(1,3-benzodioxole-5-yl)-1H,4H-furo[3,4-c]furan-1,4-dione
| Internal ID | afbfc1ce-df23-4a4b-912d-c668b89f3799 |
| Taxonomy | Lignans, neolignans and related compounds > Lignan lactones |
| IUPAC Name | (1R,3aR,4R,6aR)-1,4-bis(1,3-benzodioxol-5-yl)-1,3a,4,6a-tetrahydrofuro[3,4-c]furan-3,6-dione |
| SMILES (Canonical) | C1OC2=C(O1)C=C(C=C2)C3C4C(C(OC4=O)C5=CC6=C(C=C5)OCO6)C(=O)O3 |
| SMILES (Isomeric) | C1OC2=C(O1)C=C(C=C2)[C@H]3[C@H]4[C@H]([C@@H](OC4=O)C5=CC6=C(C=C5)OCO6)C(=O)O3 |
| InChI | InChI=1S/C20H14O8/c21-19-15-16(18(28-19)10-2-4-12-14(6-10)26-8-24-12)20(22)27-17(15)9-1-3-11-13(5-9)25-7-23-11/h1-6,15-18H,7-8H2/t15-,16-,17+,18+/m1/s1 |
| InChI Key | APOQDYUENSVQGT-BDXSIMOUSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C20H14O8 |
| Molecular Weight | 382.30 g/mol |
| Exact Mass | 382.06886740 g/mol |
| Topological Polar Surface Area (TPSA) | 89.50 Ų |
| XlogP | 2.20 |
| There are no found synonyms. |
![2D Structure of (3R)-3,3abeta,6,6abeta-Tetrahydro-3beta,6beta-bis(1,3-benzodioxole-5-yl)-1H,4H-furo[3,4-c]furan-1,4-dione](https://plantaedb.com/storage/docs/compounds/2023/07/8494a1a0-242c-11ee-81d4-2d585481b885.jpg "2D Structure of (3R)-3,3abeta,6,6abeta-Tetrahydro-3beta,6beta-bis(1,3-benzodioxole-5-yl)-1H,4H-furo[3,4-c]furan-1,4-dione")
| 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 | 95.75% | 91.11% |
| CHEMBL4481 | P35228 | Nitric oxide synthase, inducible | 93.82% | 94.80% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 91.86% | 97.09% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 91.43% | 95.56% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 89.50% | 94.45% |
| CHEMBL5697 | Q9GZT9 | Egl nine homolog 1 | 88.93% | 93.40% |
| CHEMBL4303 | P08238 | Heat shock protein HSP 90-beta | 87.43% | 96.77% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 85.13% | 89.00% |
| CHEMBL2039 | P27338 | Monoamine oxidase B | 82.77% | 92.51% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 81.85% | 94.73% |
| CHEMBL2373 | P21730 | C5a anaphylatoxin chemotactic receptor | 80.07% | 92.62% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 80.04% | 86.33% |
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.
| Agathis lanceolata |
| Dracaena concinna |
| Isodon amethystoides |
| Neolitsea pulchella |
| Vigna angularis |