9-(3,4-dihydroxy-5-methoxyphenyl)-7-hydroxy-6-methoxy-3H-benzo[f][2]benzofuran-1-one
| Internal ID | c350d4da-977e-4dd3-9e08-4a9df31c3741 |
| Taxonomy | Lignans, neolignans and related compounds > Arylnaphthalene lignans |
| IUPAC Name | 9-(3,4-dihydroxy-5-methoxyphenyl)-7-hydroxy-6-methoxy-3H-benzo[f][2]benzofuran-1-one |
| SMILES (Canonical) | COC1=CC2=CC3=C(C(=C2C=C1O)C4=CC(=C(C(=C4)OC)O)O)C(=O)OC3 |
| SMILES (Isomeric) | COC1=CC2=CC3=C(C(=C2C=C1O)C4=CC(=C(C(=C4)OC)O)O)C(=O)OC3 |
| InChI | InChI=1S/C20H16O7/c1-25-15-5-9-3-11-8-27-20(24)18(11)17(12(9)7-13(15)21)10-4-14(22)19(23)16(6-10)26-2/h3-7,21-23H,8H2,1-2H3 |
| InChI Key | GUNKEYFDGVBDJS-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C20H16O7 |
| Molecular Weight | 368.30 g/mol |
| Exact Mass | 368.08960285 g/mol |
| Topological Polar Surface Area (TPSA) | 105.00 Ų |
| XlogP | 3.10 |
| There are no found synonyms. |
![2D Structure of 9-(3,4-dihydroxy-5-methoxyphenyl)-7-hydroxy-6-methoxy-3H-benzo[f][2]benzofuran-1-one](https://plantaedb.com/storage/docs/compounds/2023/11/9-34-dihydroxy-5-methoxyphenyl-7-hydroxy-6-methoxy-3h-benzof2benzofuran-1-one.jpg "2D Structure of 9-(3,4-dihydroxy-5-methoxyphenyl)-7-hydroxy-6-methoxy-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 | 99.55% | 91.11% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 98.27% | 85.14% |
| CHEMBL2002 | P12268 | Inosine-5'-monophosphate dehydrogenase 2 | 97.29% | 98.21% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 95.52% | 95.56% |
| CHEMBL1951 | P21397 | Monoamine oxidase A | 94.35% | 91.49% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 94.19% | 94.00% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 93.72% | 86.33% |
| CHEMBL230 | P35354 | Cyclooxygenase-2 | 93.71% | 89.63% |
| CHEMBL2581 | P07339 | Cathepsin D | 90.90% | 98.95% |
| CHEMBL2373 | P21730 | C5a anaphylatoxin chemotactic receptor | 87.58% | 92.62% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 86.99% | 99.23% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 86.62% | 94.45% |
| CHEMBL1860 | P10827 | Thyroid hormone receptor alpha | 86.38% | 99.15% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 85.64% | 99.17% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 85.47% | 94.73% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 85.09% | 96.09% |
| CHEMBL3880 | P07900 | Heat shock protein HSP 90-alpha | 83.37% | 96.21% |
| CHEMBL3091268 | Q92753 | Nuclear receptor ROR-beta | 82.74% | 95.50% |
| CHEMBL241 | Q14432 | Phosphodiesterase 3A | 81.45% | 92.94% |
| CHEMBL5925 | P22413 | Ectonucleotide pyrophosphatase/phosphodiesterase family member 1 | 81.25% | 92.38% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 80.94% | 89.00% |
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.
| Thuja plicata |
| PubChem | 162882573 |
| LOTUS | LTS0082460 |
| wikiData | Q105020312 |