(3S,5R,8R,9aR)-5,9a-dihydroxy-3-(4-hydroxy-2-methoxyphenyl)-6-methyl-8-prop-1-en-2-yl-3,5,8,9-tetrahydro-2H-furo[2,3-h]chromen-4-one
| Internal ID | 9b284c5c-4e3c-4ce6-a2a6-54f43ca58fc6 |
| Taxonomy | Benzenoids > Phenols > Methoxyphenols |
| IUPAC Name | (3S,5R,8R,9aR)-5,9a-dihydroxy-3-(4-hydroxy-2-methoxyphenyl)-6-methyl-8-prop-1-en-2-yl-3,5,8,9-tetrahydro-2H-furo[2,3-h]chromen-4-one |
| SMILES (Canonical) | |
| SMILES (Isomeric) | |
| InChI | InChI=1S/C22H24O7/c1-10(2)16-8-22(26)20(29-16)11(3)18(24)17-19(25)14(9-28-21(17)22)13-6-5-12(23)7-15(13)27-4/h5-7,14,16,18,23-24,26H,1,8-9H2,2-4H3/t14-,16-,18-,22+/m1/s1 |
| InChI Key | IKPLTFXVEVRTGA-BVEDMNCXSA-N |
| Popularity | 2 references in papers |
| Molecular Formula | C22H24O7 |
| Molecular Weight | 400.40 g/mol |
| Exact Mass | 400.15220310 g/mol |
| Topological Polar Surface Area (TPSA) | 105.00 Ų |
| XlogP | 1.00 |
| There are no found synonyms. |
![2D Structure of (3S,5R,8R,9aR)-5,9a-dihydroxy-3-(4-hydroxy-2-methoxyphenyl)-6-methyl-8-prop-1-en-2-yl-3,5,8,9-tetrahydro-2H-furo[2,3-h]chromen-4-one](https://plantaedb.com/storage/docs/compounds/2023/11/1b1c9ee0-8630-11ee-9a3e-bbebe2581069.jpg "2D Structure of (3S,5R,8R,9aR)-5,9a-dihydroxy-3-(4-hydroxy-2-methoxyphenyl)-6-methyl-8-prop-1-en-2-yl-3,5,8,9-tetrahydro-2H-furo[2,3-h]chromen-4-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 |
|---|---|---|---|---|
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 99.32% | 85.14% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 98.11% | 91.11% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 97.91% | 94.45% |
| CHEMBL2581 | P07339 | Cathepsin D | 94.81% | 98.95% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 93.63% | 95.56% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 93.29% | 96.09% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 91.71% | 95.89% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 91.28% | 86.33% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 89.44% | 89.00% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 88.85% | 94.00% |
| CHEMBL1907603 | Q05586 | Glutamate NMDA receptor; GRIN1/GRIN2B | 88.73% | 95.89% |
| CHEMBL2535 | P11166 | Glucose transporter | 87.74% | 98.75% |
| CHEMBL340 | P08684 | Cytochrome P450 3A4 | 87.16% | 91.19% |
| CHEMBL4478 | Q00975 | Voltage-gated N-type calcium channel alpha-1B subunit | 85.86% | 97.14% |
| CHEMBL5697 | Q9GZT9 | Egl nine homolog 1 | 84.97% | 93.40% |
| CHEMBL2146302 | O94925 | Glutaminase kidney isoform, mitochondrial | 84.21% | 100.00% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 84.08% | 99.17% |
| CHEMBL241 | Q14432 | Phosphodiesterase 3A | 83.89% | 92.94% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 83.86% | 97.09% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 80.62% | 99.23% |
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 incanum |
| PubChem | 162901695 |
| LOTUS | LTS0109766 |
| wikiData | Q105181863 |