(2S,6S)-6-(2,4-dihydroxyphenyl)-4-hydroxy-2-prop-1-en-2-yl-2,3,6,7-tetrahydrofuro[3,2-g]chromen-5-one
| Internal ID | c81a35d7-0dee-4eae-9a6e-568e6ac30464 |
| Taxonomy | Phenylpropanoids and polyketides > Isoflavonoids > Isoflavans > Isoflavanones |
| IUPAC Name | (2S,6S)-6-(2,4-dihydroxyphenyl)-4-hydroxy-2-prop-1-en-2-yl-2,3,6,7-tetrahydrofuro[3,2-g]chromen-5-one |
| SMILES (Canonical) | CC(=C)C1CC2=C(C3=C(C=C2O1)OCC(C3=O)C4=C(C=C(C=C4)O)O)O |
| SMILES (Isomeric) | CC(=C)[C@@H]1CC2=C(C3=C(C=C2O1)OC[C@@H](C3=O)C4=C(C=C(C=C4)O)O)O |
| InChI | InChI=1S/C20H18O6/c1-9(2)15-6-12-16(26-15)7-17-18(19(12)23)20(24)13(8-25-17)11-4-3-10(21)5-14(11)22/h3-5,7,13,15,21-23H,1,6,8H2,2H3/t13-,15+/m1/s1 |
| InChI Key | MWILFHFRKVPOMC-HIFRSBDPSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C20H18O6 |
| Molecular Weight | 354.40 g/mol |
| Exact Mass | 354.11033829 g/mol |
| Topological Polar Surface Area (TPSA) | 96.20 Ų |
| XlogP | 3.90 |
| There are no found synonyms. |
![2D Structure of (2S,6S)-6-(2,4-dihydroxyphenyl)-4-hydroxy-2-prop-1-en-2-yl-2,3,6,7-tetrahydrofuro[3,2-g]chromen-5-one](https://plantaedb.com/storage/docs/compounds/2023/11/c40ca4e0-8589-11ee-8997-255d23dbc298.jpg "2D Structure of (2S,6S)-6-(2,4-dihydroxyphenyl)-4-hydroxy-2-prop-1-en-2-yl-2,3,6,7-tetrahydrofuro[3,2-g]chromen-5-one")
| 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 | 99.13% | 91.11% |
| CHEMBL2581 | P07339 | Cathepsin D | 97.26% | 98.95% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 94.09% | 89.00% |
| CHEMBL1951 | P21397 | Monoamine oxidase A | 92.54% | 91.49% |
| CHEMBL5697 | Q9GZT9 | Egl nine homolog 1 | 92.42% | 93.40% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 92.26% | 95.56% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 92.21% | 96.09% |
| CHEMBL4481 | P35228 | Nitric oxide synthase, inducible | 91.27% | 94.80% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 90.36% | 100.00% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 90.09% | 94.45% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 89.03% | 85.14% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 89.03% | 86.33% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 88.14% | 95.89% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 88.03% | 99.23% |
| CHEMBL217 | P14416 | Dopamine D2 receptor | 86.07% | 95.62% |
| CHEMBL5845 | P23415 | Glycine receptor subunit alpha-1 | 85.65% | 90.71% |
| CHEMBL340 | P08684 | Cytochrome P450 3A4 | 84.96% | 91.19% |
| CHEMBL1929 | P47989 | Xanthine dehydrogenase | 83.61% | 96.12% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 83.01% | 94.73% |
| CHEMBL5409 | Q8TDU6 | G-protein coupled bile acid receptor 1 | 82.20% | 93.65% |
| CHEMBL2073 | P07947 | Tyrosine-protein kinase YES | 82.03% | 83.14% |
| CHEMBL2535 | P11166 | Glucose transporter | 80.24% | 98.75% |
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.
| Desmodium uncinatum |
| PubChem | 162850896 |
| LOTUS | LTS0125894 |
| wikiData | Q105173593 |