9-(1,3-benzodioxol-5-yl)-6,7-dimethoxy-4-[(2R,3R,4R,5S)-3,4,5-trihydroxyoxan-2-yl]oxy-3H-benzo[f][2]benzofuran-1-one
| Internal ID | 8b7bfa44-bef2-4ef5-ab25-17dd2ffda5d7 |
| Taxonomy | Lignans, neolignans and related compounds > Lignan glycosides |
| IUPAC Name | 9-(1,3-benzodioxol-5-yl)-6,7-dimethoxy-4-[(2R,3R,4R,5S)-3,4,5-trihydroxyoxan-2-yl]oxy-3H-benzo[f][2]benzofuran-1-one |
| SMILES (Canonical) | COC1=C(C=C2C(=C1)C(=C3C(=C2OC4C(C(C(CO4)O)O)O)COC3=O)C5=CC6=C(C=C5)OCO6)OC |
| SMILES (Isomeric) | COC1=C(C=C2C(=C1)C(=C3C(=C2O[C@@H]4[C@@H]([C@@H]([C@H](CO4)O)O)O)COC3=O)C5=CC6=C(C=C5)OCO6)OC |
| InChI | InChI=1S/C26H24O11/c1-31-17-6-12-13(7-18(17)32-2)24(37-26-23(29)22(28)15(27)9-34-26)14-8-33-25(30)21(14)20(12)11-3-4-16-19(5-11)36-10-35-16/h3-7,15,22-23,26-29H,8-10H2,1-2H3/t15-,22+,23+,26+/m0/s1 |
| InChI Key | AVYGDWFATMFGNJ-LELGHBCXSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C26H24O11 |
| Molecular Weight | 512.50 g/mol |
| Exact Mass | 512.13186158 g/mol |
| Topological Polar Surface Area (TPSA) | 142.00 Ų |
| XlogP | 1.90 |
| There are no found synonyms. |
![2D Structure of 9-(1,3-benzodioxol-5-yl)-6,7-dimethoxy-4-[(2R,3R,4R,5S)-3,4,5-trihydroxyoxan-2-yl]oxy-3H-benzo[f][2]benzofuran-1-one](https://plantaedb.com/storage/docs/compounds/2023/11/83663b70-85ea-11ee-84ee-718b553528d4.jpg "2D Structure of 9-(1,3-benzodioxol-5-yl)-6,7-dimethoxy-4-[(2R,3R,4R,5S)-3,4,5-trihydroxyoxan-2-yl]oxy-3H-benzo[f][2]benzofuran-1-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 |
|---|---|---|---|---|
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 98.95% | 91.11% |
| CHEMBL4303 | P08238 | Heat shock protein HSP 90-beta | 97.64% | 96.77% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 97.57% | 85.14% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 96.96% | 94.45% |
| CHEMBL4481 | P35228 | Nitric oxide synthase, inducible | 95.27% | 94.80% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 95.01% | 89.00% |
| CHEMBL2535 | P11166 | Glucose transporter | 94.75% | 98.75% |
| CHEMBL2373 | P21730 | C5a anaphylatoxin chemotactic receptor | 94.60% | 92.62% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 94.60% | 95.56% |
| CHEMBL2581 | P07339 | Cathepsin D | 94.42% | 98.95% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 93.96% | 86.33% |
| CHEMBL1951 | P21397 | Monoamine oxidase A | 93.82% | 91.49% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 93.37% | 96.09% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 89.07% | 94.00% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 86.27% | 100.00% |
| CHEMBL4940 | P07195 | L-lactate dehydrogenase B chain | 85.71% | 95.53% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 85.54% | 97.09% |
| CHEMBL4225 | P49760 | Dual specificity protein kinase CLK2 | 84.40% | 80.96% |
| CHEMBL4478 | Q00975 | Voltage-gated N-type calcium channel alpha-1B subunit | 83.43% | 97.14% |
| CHEMBL1075094 | Q16236 | Nuclear factor erythroid 2-related factor 2 | 82.74% | 96.00% |
| CHEMBL225 | P28335 | Serotonin 2c (5-HT2c) receptor | 82.59% | 89.62% |
| CHEMBL5339 | Q5NUL3 | G-protein coupled receptor 120 | 81.68% | 95.78% |
| CHEMBL4208 | P20618 | Proteasome component C5 | 80.70% | 90.00% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 80.34% | 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.
| Phyllanthus oligospermus |
| PubChem | 162873757 |
| LOTUS | LTS0081621 |
| wikiData | Q104919904 |