(3S)-7-hydroxy-3-(5-hydroxy-2,2-dimethylchromen-6-yl)-5-methoxy-2,3-dihydrochromen-4-one
| Internal ID | 3e2c8a14-f194-40d5-8a66-abffabbce191 |
| Taxonomy | Phenylpropanoids and polyketides > Isoflavonoids > Isoflavans > Isoflavanones > 3-prenylated isoflavanones |
| IUPAC Name | (3S)-7-hydroxy-3-(5-hydroxy-2,2-dimethylchromen-6-yl)-5-methoxy-2,3-dihydrochromen-4-one |
| SMILES (Canonical) | CC1(C=CC2=C(O1)C=CC(=C2O)C3COC4=C(C3=O)C(=CC(=C4)O)OC)C |
| SMILES (Isomeric) | CC1(C=CC2=C(O1)C=CC(=C2O)[C@H]3COC4=C(C3=O)C(=CC(=C4)O)OC)C |
| InChI | InChI=1S/C21H20O6/c1-21(2)7-6-13-15(27-21)5-4-12(19(13)23)14-10-26-17-9-11(22)8-16(25-3)18(17)20(14)24/h4-9,14,22-23H,10H2,1-3H3/t14-/m1/s1 |
| InChI Key | ZIDJFMZHWCAFPM-CQSZACIVSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C21H20O6 |
| Molecular Weight | 368.40 g/mol |
| Exact Mass | 368.12598835 g/mol |
| Topological Polar Surface Area (TPSA) | 85.20 Ų |
| XlogP | 3.30 |
| 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 | 99.46% | 91.11% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 98.83% | 94.45% |
| CHEMBL2581 | P07339 | Cathepsin D | 97.05% | 98.95% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 96.15% | 96.09% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 93.95% | 89.00% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 93.33% | 86.33% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 92.23% | 85.14% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 91.90% | 95.56% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 91.39% | 95.89% |
| CHEMBL340 | P08684 | Cytochrome P450 3A4 | 88.44% | 91.19% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 87.81% | 97.09% |
| CHEMBL4208 | P20618 | Proteasome component C5 | 87.08% | 90.00% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 86.88% | 100.00% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 85.98% | 99.23% |
| CHEMBL4478 | Q00975 | Voltage-gated N-type calcium channel alpha-1B subunit | 83.96% | 97.14% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 83.77% | 94.00% |
| CHEMBL2535 | P11166 | Glucose transporter | 83.73% | 98.75% |
| CHEMBL2146302 | O94925 | Glutaminase kidney isoform, mitochondrial | 83.50% | 100.00% |
| CHEMBL2373 | P21730 | C5a anaphylatoxin chemotactic receptor | 83.00% | 92.62% |
| CHEMBL3192 | Q9BY41 | Histone deacetylase 8 | 82.86% | 93.99% |
| CHEMBL1860 | P10827 | Thyroid hormone receptor alpha | 81.02% | 99.15% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 80.23% | 99.17% |
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.
| Glycyrrhiza aspera |
| Glycyrrhiza glabra |
| PubChem | 154496680 |
| LOTUS | LTS0238621 |
| wikiData | Q105376264 |