6,8-dihydroxy-3-(4-hydroxyphenyl)-5-[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-7-[(2S,3R,4S,5S)-3,4,5-trihydroxyoxan-2-yl]oxychromen-4-one
| Internal ID | aa67eb71-057d-4805-b5bc-4f51d8a96a3f |
| Taxonomy | Phenylpropanoids and polyketides > Isoflavonoids > Isoflavonoid O-glycosides |
| IUPAC Name | 6,8-dihydroxy-3-(4-hydroxyphenyl)-5-[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-7-[(2S,3R,4S,5S)-3,4,5-trihydroxyoxan-2-yl]oxychromen-4-one |
| SMILES (Canonical) | |
| SMILES (Isomeric) | |
| InChI | InChI=1S/C26H28O16/c27-5-12-16(32)17(33)19(35)26(40-12)41-23-13-14(30)10(8-1-3-9(28)4-2-8)6-38-22(13)20(36)24(21(23)37)42-25-18(34)15(31)11(29)7-39-25/h1-4,6,11-12,15-19,25-29,31-37H,5,7H2/t11-,12+,15-,16-,17-,18+,19+,25-,26-/m0/s1 |
| InChI Key | PRHPNROHUGRCFR-LLSLFMRFSA-N |
| Popularity | 2 references in papers |
| Molecular Formula | C26H28O16 |
| Molecular Weight | 596.50 g/mol |
| Exact Mass | 596.13773480 g/mol |
| Topological Polar Surface Area (TPSA) | 266.00 Ų |
| XlogP | -2.10 |
| There are no found synonyms. |
![2D Structure of 6,8-dihydroxy-3-(4-hydroxyphenyl)-5-[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-7-[(2S,3R,4S,5S)-3,4,5-trihydroxyoxan-2-yl]oxychromen-4-one](https://plantaedb.com/storage/docs/compounds/2023/11/669fdb00-865f-11ee-ad2b-0f9dfbc50824.jpg "2D Structure of 6,8-dihydroxy-3-(4-hydroxyphenyl)-5-[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-7-[(2S,3R,4S,5S)-3,4,5-trihydroxyoxan-2-yl]oxychromen-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 |
|---|---|---|---|---|
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 99.09% | 91.11% |
| CHEMBL2581 | P07339 | Cathepsin D | 96.35% | 98.95% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 94.63% | 94.00% |
| CHEMBL2345 | P51812 | Ribosomal protein S6 kinase alpha 3 | 94.26% | 95.64% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 93.48% | 89.00% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 91.89% | 97.09% |
| CHEMBL4016 | P42262 | Glutamate receptor ionotropic, AMPA 2 | 86.47% | 86.92% |
| CHEMBL5339 | Q5NUL3 | G-protein coupled receptor 120 | 86.18% | 95.78% |
| CHEMBL2288 | Q13526 | Peptidyl-prolyl cis-trans isomerase NIMA-interacting 1 | 86.17% | 91.71% |
| CHEMBL3476 | O15111 | Inhibitor of nuclear factor kappa B kinase alpha subunit | 84.85% | 95.83% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 84.03% | 86.33% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 83.82% | 96.09% |
| CHEMBL3880 | P07900 | Heat shock protein HSP 90-alpha | 82.91% | 96.21% |
| CHEMBL1860 | P10827 | Thyroid hormone receptor alpha | 82.91% | 99.15% |
| CHEMBL242 | Q92731 | Estrogen receptor beta | 82.88% | 98.35% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 82.00% | 95.56% |
| CHEMBL3922 | P50579 | Methionine aminopeptidase 2 | 80.48% | 97.28% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 80.47% | 95.89% |
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.
| Dolichandra unguis-cati |
| PubChem | 162869160 |
| LOTUS | LTS0137121 |
| wikiData | Q105213720 |