(2S,6R)-4-hydroxy-6-(4-hydroxy-2-methoxyphenyl)-2-prop-1-en-2-yl-2,3,6,7-tetrahydrofuro[3,2-g]chromen-5-one
| Internal ID | d4db95e6-412a-41e6-af9c-b180ebea7928 |
| Taxonomy | Phenylpropanoids and polyketides > Isoflavonoids > O-methylated isoflavonoids > 2-O-methylated isoflavonoids |
| IUPAC Name | (2S,6R)-4-hydroxy-6-(4-hydroxy-2-methoxyphenyl)-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)OC)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)OC)O |
| InChI | InChI=1S/C21H20O6/c1-10(2)15-7-13-17(27-15)8-18-19(20(13)23)21(24)14(9-26-18)12-5-4-11(22)6-16(12)25-3/h4-6,8,14-15,22-23H,1,7,9H2,2-3H3/t14-,15-/m0/s1 |
| InChI Key | HRRLYEDDDAJRSW-GJZGRUSLSA-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 | 4.20 |
| There are no found synonyms. |
![2D Structure of (2S,6R)-4-hydroxy-6-(4-hydroxy-2-methoxyphenyl)-2-prop-1-en-2-yl-2,3,6,7-tetrahydrofuro[3,2-g]chromen-5-one](https://plantaedb.com/storage/docs/compounds/2023/11/8cf51b20-860e-11ee-bb35-71e8afe3ed61.jpg "2D Structure of (2S,6R)-4-hydroxy-6-(4-hydroxy-2-methoxyphenyl)-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 | 99.40% | 91.11% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 97.66% | 85.14% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 96.21% | 94.45% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 95.92% | 96.09% |
| CHEMBL2581 | P07339 | Cathepsin D | 95.43% | 98.95% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 93.83% | 86.33% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 92.05% | 95.56% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 91.78% | 89.00% |
| CHEMBL4481 | P35228 | Nitric oxide synthase, inducible | 91.25% | 94.80% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 91.23% | 95.89% |
| CHEMBL340 | P08684 | Cytochrome P450 3A4 | 91.11% | 91.19% |
| CHEMBL2535 | P11166 | Glucose transporter | 90.21% | 98.75% |
| CHEMBL1907603 | Q05586 | Glutamate NMDA receptor; GRIN1/GRIN2B | 86.87% | 95.89% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 86.57% | 99.17% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 85.37% | 99.23% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 84.52% | 100.00% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 83.88% | 94.00% |
| CHEMBL5697 | Q9GZT9 | Egl nine homolog 1 | 83.34% | 93.40% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 83.11% | 97.09% |
| CHEMBL2146302 | O94925 | Glutaminase kidney isoform, mitochondrial | 81.46% | 100.00% |
| CHEMBL3713062 | P10646 | Tissue factor pathway inhibitor | 81.28% | 97.33% |
| CHEMBL5845 | P23415 | Glycine receptor subunit alpha-1 | 80.97% | 90.71% |
| CHEMBL4478 | Q00975 | Voltage-gated N-type calcium channel alpha-1B subunit | 80.41% | 97.14% |
| CHEMBL2373 | P21730 | C5a anaphylatoxin chemotactic receptor | 80.33% | 92.62% |
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 | 641667 |
| LOTUS | LTS0199965 |
| wikiData | Q105032797 |