5,7-dihydroxy-2-(4-hydroxyphenyl)-6-[(2R,3R,4S,5S)-3,4,5-trihydroxyoxan-2-yl]-8-[(2S,3R,4S,5S)-3,4,5-trihydroxyoxan-2-yl]chromen-4-one
| Internal ID | 3e83c2ee-a723-4128-a49d-55bd3f5fa2b1 |
| Taxonomy | Phenylpropanoids and polyketides > Flavonoids > Flavonoid glycosides > Flavonoid C-glycosides > Flavonoid 8-C-glycosides |
| IUPAC Name | 5,7-dihydroxy-2-(4-hydroxyphenyl)-6-[(2R,3R,4S,5S)-3,4,5-trihydroxyoxan-2-yl]-8-[(2S,3R,4S,5S)-3,4,5-trihydroxyoxan-2-yl]chromen-4-one |
| SMILES (Canonical) | C1C(C(C(C(O1)C2=C(C(=C3C(=C2O)C(=O)C=C(O3)C4=CC=C(C=C4)O)C5C(C(C(CO5)O)O)O)O)O)O)O |
| SMILES (Isomeric) | C1[C@@H]([C@@H]([C@H]([C@H](O1)C2=C(C(=C3C(=C2O)C(=O)C=C(O3)C4=CC=C(C=C4)O)[C@H]5[C@@H]([C@H]([C@H](CO5)O)O)O)O)O)O)O |
| InChI | InChI=1S/C25H26O13/c26-9-3-1-8(2-4-9)13-5-10(27)14-19(32)15(24-21(34)17(30)11(28)6-36-24)20(33)16(23(14)38-13)25-22(35)18(31)12(29)7-37-25/h1-5,11-12,17-18,21-22,24-26,28-35H,6-7H2/t11-,12-,17-,18-,21+,22+,24+,25-/m0/s1 |
| InChI Key | LDVNKZYMYPZDAI-LKJOIRBPSA-N |
| Popularity | 1 reference in papers |
| Molecular Formula | C25H26O13 |
| Molecular Weight | 534.50 g/mol |
| Exact Mass | 534.13734088 g/mol |
| Topological Polar Surface Area (TPSA) | 227.00 Ų |
| XlogP | -2.10 |
| There are no found synonyms. |
![2D Structure of 5,7-dihydroxy-2-(4-hydroxyphenyl)-6-[(2R,3R,4S,5S)-3,4,5-trihydroxyoxan-2-yl]-8-[(2S,3R,4S,5S)-3,4,5-trihydroxyoxan-2-yl]chromen-4-one](https://plantaedb.com/storage/docs/compounds/2023/11/8c349de0-8639-11ee-8b9d-dbe2db424184.jpg "2D Structure of 5,7-dihydroxy-2-(4-hydroxyphenyl)-6-[(2R,3R,4S,5S)-3,4,5-trihydroxyoxan-2-yl]-8-[(2S,3R,4S,5S)-3,4,5-trihydroxyoxan-2-yl]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 |
|---|---|---|---|---|
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 99.40% | 91.11% |
| CHEMBL2581 | P07339 | Cathepsin D | 97.83% | 98.95% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 96.30% | 89.00% |
| CHEMBL5284 | Q96RR4 | CaM-kinase kinase beta | 94.01% | 89.23% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 91.69% | 94.00% |
| CHEMBL5845 | P23415 | Glycine receptor subunit alpha-1 | 90.08% | 90.71% |
| CHEMBL2553 | Q15418 | Ribosomal protein S6 kinase alpha 1 | 89.70% | 85.11% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 89.26% | 95.56% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 87.19% | 97.09% |
| CHEMBL301 | P24941 | Cyclin-dependent kinase 2 | 87.18% | 91.23% |
| CHEMBL1860 | P10827 | Thyroid hormone receptor alpha | 84.86% | 99.15% |
| CHEMBL308 | P06493 | Cyclin-dependent kinase 1 | 83.24% | 91.73% |
| CHEMBL3830 | Q2M2I8 | Adaptor-associated kinase | 82.95% | 83.10% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 82.77% | 86.33% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 82.20% | 94.45% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 81.06% | 99.23% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 80.84% | 85.14% |
| CHEMBL2288 | Q13526 | Peptidyl-prolyl cis-trans isomerase NIMA-interacting 1 | 80.28% | 91.71% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 80.14% | 94.73% |
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.
| Schnabelia tetradonta |
| PubChem | 10951585 |
| LOTUS | LTS0213738 |
| wikiData | Q105150395 |