Thunberginol G
| Internal ID | 84834e56-601e-439b-98fa-f6c2c133041b |
| Taxonomy | Organoheterocyclic compounds > Benzopyrans > 2-benzopyrans |
| IUPAC Name | 3-(3,4-dihydroxyphenyl)-8-hydroxy-3,4-dihydroisochromen-1-one |
| SMILES (Canonical) | |
| SMILES (Isomeric) | |
| InChI | InChI=1S/C15H12O5/c16-10-5-4-8(6-12(10)18)13-7-9-2-1-3-11(17)14(9)15(19)20-13/h1-6,13,16-18H,7H2 |
| InChI Key | RQDGXYMBVTZQNF-UHFFFAOYSA-N |
| Popularity | 3 references in papers |
| Molecular Formula | C15H12O5 |
| Molecular Weight | 272.25 g/mol |
| Exact Mass | 272.06847348 g/mol |
| Topological Polar Surface Area (TPSA) | 87.00 Ų |
| XlogP | 2.80 |
| (+/-)-Thunberginol G |
| M9D65AW7XT |
| 80394-88-3 |
| UNII-M9D65AW7XT |
| 3-(3,4-Dihydroxyphenyl)-3,4-dihydro-8-hydroxy-1H-2-benzopyran-1-one |
| 1H-2-Benzopyran-1-one, 3-(3,4-dihydroxyphenyl)-3,4-dihydro-8-hydroxy- |
| 1H-2-Benzopyran-1-one, 3-(3,4-dihydroxyphenyl)-3,4-dihydro-8-hydroxy-, (+/-)- |
| CHEMBL69207 |
| DTXSID70439707 |
| Q7798886 |
| 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 |
|---|---|---|---|---|
| CHEMBL1951 | P21397 | Monoamine oxidase A | 98.88% | 91.49% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 98.26% | 91.11% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 93.94% | 95.56% |
| CHEMBL2581 | P07339 | Cathepsin D | 91.06% | 98.95% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 90.54% | 97.09% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 90.03% | 99.23% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 89.37% | 89.00% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 88.05% | 94.45% |
| CHEMBL3192 | Q9BY41 | Histone deacetylase 8 | 87.95% | 93.99% |
| CHEMBL5697 | Q9GZT9 | Egl nine homolog 1 | 87.52% | 93.40% |
| CHEMBL1860 | P10827 | Thyroid hormone receptor alpha | 86.46% | 99.15% |
| CHEMBL217 | P14416 | Dopamine D2 receptor | 84.45% | 95.62% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 83.47% | 96.09% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 83.32% | 94.73% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 82.47% | 86.33% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 82.05% | 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.
| Hydrangea macrophylla |
| PubChem | 10423358 |
| LOTUS | LTS0070328 |
| wikiData | Q7798886 |