1-(6-Hydroxy-4-methoxy-1,3-benzodioxol-5-yl)-2-(2-hydroxyphenyl)ethane-1,2-dione
| Internal ID | a9f13166-b882-4c81-9da7-756de056a327 |
| Taxonomy | Phenylpropanoids and polyketides > Stilbenes |
| IUPAC Name | 1-(6-hydroxy-4-methoxy-1,3-benzodioxol-5-yl)-2-(2-hydroxyphenyl)ethane-1,2-dione |
| SMILES (Canonical) | COC1=C(C(=CC2=C1OCO2)O)C(=O)C(=O)C3=CC=CC=C3O |
| SMILES (Isomeric) | COC1=C(C(=CC2=C1OCO2)O)C(=O)C(=O)C3=CC=CC=C3O |
| InChI | InChI=1S/C16H12O7/c1-21-16-12(10(18)6-11-15(16)23-7-22-11)14(20)13(19)8-4-2-3-5-9(8)17/h2-6,17-18H,7H2,1H3 |
| InChI Key | VHYOWIDJTPJNNM-UHFFFAOYSA-N |
| Popularity | 1 reference in papers |
| Molecular Formula | C16H12O7 |
| Molecular Weight | 316.26 g/mol |
| Exact Mass | 316.05830272 g/mol |
| Topological Polar Surface Area (TPSA) | 102.00 Ų |
| XlogP | 3.10 |
| There are no found synonyms. |
| 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 | 98.97% | 91.11% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 92.15% | 95.56% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 91.40% | 96.09% |
| CHEMBL4303 | P08238 | Heat shock protein HSP 90-beta | 90.81% | 96.77% |
| CHEMBL2581 | P07339 | Cathepsin D | 89.25% | 98.95% |
| CHEMBL2535 | P11166 | Glucose transporter | 88.88% | 98.75% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 88.57% | 86.33% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 86.53% | 94.45% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 86.13% | 94.73% |
| CHEMBL4208 | P20618 | Proteasome component C5 | 84.94% | 90.00% |
| CHEMBL3091268 | Q92753 | Nuclear receptor ROR-beta | 83.98% | 95.50% |
| CHEMBL2373 | P21730 | C5a anaphylatoxin chemotactic receptor | 83.90% | 92.62% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 83.65% | 94.00% |
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.
| Iris tenuifolia |
| PubChem | 24970457 |
| LOTUS | LTS0240789 |
| wikiData | Q104888590 |