7,8-Dihydroxy-3-(2-hydroxypropyl)-6-methoxyisochromen-1-one
| Internal ID | 46d35c29-0f64-4149-bec4-c3e688eaf284 |
| Taxonomy | Phenylpropanoids and polyketides > Isocoumarins and derivatives |
| IUPAC Name | 7,8-dihydroxy-3-(2-hydroxypropyl)-6-methoxyisochromen-1-one |
| SMILES (Canonical) | CC(CC1=CC2=CC(=C(C(=C2C(=O)O1)O)O)OC)O |
| SMILES (Isomeric) | CC(CC1=CC2=CC(=C(C(=C2C(=O)O1)O)O)OC)O |
| InChI | InChI=1S/C13H14O6/c1-6(14)3-8-4-7-5-9(18-2)11(15)12(16)10(7)13(17)19-8/h4-6,14-16H,3H2,1-2H3 |
| InChI Key | UTVGKXNRFZBOGA-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C13H14O6 |
| Molecular Weight | 266.25 g/mol |
| Exact Mass | 266.07903816 g/mol |
| Topological Polar Surface Area (TPSA) | 96.20 Ų |
| XlogP | 1.70 |
| 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 |
|---|---|---|---|---|
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 97.94% | 85.14% |
| CHEMBL2581 | P07339 | Cathepsin D | 96.34% | 98.95% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 96.19% | 91.11% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 92.32% | 94.00% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 91.52% | 94.45% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 89.13% | 86.33% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 88.68% | 99.17% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 87.41% | 95.56% |
| CHEMBL1255126 | O15151 | Protein Mdm4 | 86.25% | 90.20% |
| CHEMBL1860 | P10827 | Thyroid hormone receptor alpha | 86.25% | 99.15% |
| CHEMBL5845 | P23415 | Glycine receptor subunit alpha-1 | 86.24% | 90.71% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 85.69% | 94.73% |
| CHEMBL2373 | P21730 | C5a anaphylatoxin chemotactic receptor | 85.37% | 92.62% |
| CHEMBL3091268 | Q92753 | Nuclear receptor ROR-beta | 84.62% | 95.50% |
| CHEMBL2535 | P11166 | Glucose transporter | 82.62% | 98.75% |
| CHEMBL1293267 | Q9HC97 | G-protein coupled receptor 35 | 82.11% | 89.34% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 81.09% | 96.09% |
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.
| There are no matching plants. |
| PubChem | 163065863 |
| LOTUS | LTS0045315 |
| wikiData | Q104198896 |