4-benzylsulfanyl-2-(3,4,5-trihydroxyphenyl)-8-[3,5,7-trihydroxy-2-(3,4,5-trihydroxyphenyl)-3,4-dihydro-2H-chromen-4-yl]-3,4-dihydro-2H-chromene-3,5,7-triol
| Internal ID | 12cc6d09-e292-4f00-9172-c617e2c84cc8 |
| Taxonomy | Phenylpropanoids and polyketides > Flavonoids > Biflavonoids and polyflavonoids |
| IUPAC Name | 4-benzylsulfanyl-2-(3,4,5-trihydroxyphenyl)-8-[3,5,7-trihydroxy-2-(3,4,5-trihydroxyphenyl)-3,4-dihydro-2H-chromen-4-yl]-3,4-dihydro-2H-chromene-3,5,7-triol |
| SMILES (Canonical) | |
| SMILES (Isomeric) | |
| InChI | InChI=1S/C37H32O14S/c38-17-10-18(39)26-25(11-17)50-34(15-6-21(42)30(46)22(43)7-15)32(48)29(26)27-19(40)12-20(41)28-36(27)51-35(16-8-23(44)31(47)24(45)9-16)33(49)37(28)52-13-14-4-2-1-3-5-14/h1-12,29,32-35,37-49H,13H2 |
| InChI Key | MHDXEEOQVCHYHL-UHFFFAOYSA-N |
| Popularity | 2 references in papers |
| Molecular Formula | C37H32O14S |
| Molecular Weight | 732.70 g/mol |
| Exact Mass | 732.15127686 g/mol |
| Topological Polar Surface Area (TPSA) | 287.00 Ų |
| XlogP | 3.40 |
| There are no found synonyms. |
![2D Structure of 4-benzylsulfanyl-2-(3,4,5-trihydroxyphenyl)-8-[3,5,7-trihydroxy-2-(3,4,5-trihydroxyphenyl)-3,4-dihydro-2H-chromen-4-yl]-3,4-dihydro-2H-chromene-3,5,7-triol](https://plantaedb.com/storage/docs/compounds/2023/11/09a9de20-86d6-11ee-a00c-11d2739a873c.jpg "2D Structure of 4-benzylsulfanyl-2-(3,4,5-trihydroxyphenyl)-8-[3,5,7-trihydroxy-2-(3,4,5-trihydroxyphenyl)-3,4-dihydro-2H-chromen-4-yl]-3,4-dihydro-2H-chromene-3,5,7-triol")
| 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 |
|---|---|---|---|---|
| CHEMBL4040 | P28482 | MAP kinase ERK2 | 98.39% | 83.82% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 98.38% | 91.11% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 92.27% | 96.09% |
| CHEMBL1860 | P10827 | Thyroid hormone receptor alpha | 89.82% | 99.15% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 88.87% | 99.17% |
| CHEMBL1929 | P47989 | Xanthine dehydrogenase | 88.00% | 96.12% |
| CHEMBL3004 | P33527 | Multidrug resistance-associated protein 1 | 87.29% | 96.37% |
| CHEMBL2581 | P07339 | Cathepsin D | 86.88% | 98.95% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 86.43% | 94.73% |
| CHEMBL2035 | P08912 | Muscarinic acetylcholine receptor M5 | 84.83% | 94.62% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 83.44% | 95.56% |
| CHEMBL1907603 | Q05586 | Glutamate NMDA receptor; GRIN1/GRIN2B | 82.79% | 95.89% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 82.30% | 86.33% |
| CHEMBL3194 | P02766 | Transthyretin | 82.03% | 90.71% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 80.02% | 94.00% |
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.
| There are no matching plants. |
| PubChem | 162881596 |
| LOTUS | LTS0056461 |
| wikiData | Q105163747 |