4a-hydroxy-3-(2-hydroxy-3,4-dimethoxyphenyl)-3,4,5,6-tetrahydro-2H-chromen-7-one
| Internal ID | 77f813b8-9e3c-44ec-950c-110921047324 |
| Taxonomy | Organoheterocyclic compounds > Benzopyrans |
| IUPAC Name | 4a-hydroxy-3-(2-hydroxy-3,4-dimethoxyphenyl)-3,4,5,6-tetrahydro-2H-chromen-7-one |
| SMILES (Canonical) | COC1=C(C(=C(C=C1)C2CC3(CCC(=O)C=C3OC2)O)O)OC |
| SMILES (Isomeric) | COC1=C(C(=C(C=C1)C2CC3(CCC(=O)C=C3OC2)O)O)OC |
| InChI | InChI=1S/C17H20O6/c1-21-13-4-3-12(15(19)16(13)22-2)10-8-17(20)6-5-11(18)7-14(17)23-9-10/h3-4,7,10,19-20H,5-6,8-9H2,1-2H3 |
| InChI Key | WOKRCELVQNEUAD-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C17H20O6 |
| Molecular Weight | 320.30 g/mol |
| Exact Mass | 320.12598835 g/mol |
| Topological Polar Surface Area (TPSA) | 85.20 Ų |
| XlogP | 0.80 |
| 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 | 98.14% | 91.11% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 97.10% | 94.45% |
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 93.72% | 97.25% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 91.46% | 96.09% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 90.59% | 95.56% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 88.52% | 100.00% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 88.43% | 86.33% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 87.44% | 95.89% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 86.25% | 94.00% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 85.77% | 99.23% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 85.76% | 97.09% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 84.70% | 89.00% |
| CHEMBL1937 | Q92769 | Histone deacetylase 2 | 84.24% | 94.75% |
| CHEMBL2581 | P07339 | Cathepsin D | 83.92% | 98.95% |
| CHEMBL2373 | P21730 | C5a anaphylatoxin chemotactic receptor | 83.05% | 92.62% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 80.85% | 85.14% |
| CHEMBL2535 | P11166 | Glucose transporter | 80.72% | 98.75% |
| CHEMBL340 | P08684 | Cytochrome P450 3A4 | 80.34% | 91.19% |
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.
| Oxytropis falcata |
| PubChem | 75254139 |
| LOTUS | LTS0088942 |
| wikiData | Q105309560 |