7-[(2S,3R,4R)-3-[(2S,3R,4R)-3,4-dihydroxy-4-(hydroxymethyl)oxolan-2-yl]oxy-4-hydroxy-4-(hydroxymethyl)oxolan-2-yl]oxy-5-hydroxy-2-(4-hydroxyphenyl)chromen-4-one
| Internal ID | c871e7d1-1cc9-4fd6-b953-a97c0ea11930 |
| Taxonomy | Phenylpropanoids and polyketides > Flavonoids > Flavones |
| IUPAC Name | 7-[(2S,3R,4R)-3-[(2S,3R,4R)-3,4-dihydroxy-4-(hydroxymethyl)oxolan-2-yl]oxy-4-hydroxy-4-(hydroxymethyl)oxolan-2-yl]oxy-5-hydroxy-2-(4-hydroxyphenyl)chromen-4-one |
| SMILES (Canonical) | C1C(C(C(O1)OC2C(OCC2(CO)O)OC3=CC(=C4C(=C3)OC(=CC4=O)C5=CC=C(C=C5)O)O)O)(CO)O |
| SMILES (Isomeric) | C1[C@@]([C@H]([C@@H](O1)O[C@H]2[C@@H](OC[C@@]2(CO)O)OC3=CC(=C4C(=C3)OC(=CC4=O)C5=CC=C(C=C5)O)O)O)(CO)O |
| InChI | InChI=1S/C25H26O13/c26-8-24(32)10-34-22(20(24)31)38-21-23(35-11-25(21,33)9-27)36-14-5-15(29)19-16(30)7-17(37-18(19)6-14)12-1-3-13(28)4-2-12/h1-7,20-23,26-29,31-33H,8-11H2/t20-,21-,22-,23-,24+,25+/m0/s1 |
| InChI Key | PGVIOISIJDCHSB-WUYMVFMYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C25H26O13 |
| Molecular Weight | 534.50 g/mol |
| Exact Mass | 534.13734088 g/mol |
| Topological Polar Surface Area (TPSA) | 205.00 Ų |
| XlogP | -0.50 |
| There are no found synonyms. |
![2D Structure of 7-[(2S,3R,4R)-3-[(2S,3R,4R)-3,4-dihydroxy-4-(hydroxymethyl)oxolan-2-yl]oxy-4-hydroxy-4-(hydroxymethyl)oxolan-2-yl]oxy-5-hydroxy-2-(4-hydroxyphenyl)chromen-4-one](https://plantaedb.com/storage/docs/compounds/2023/11/a5322ee0-86ec-11ee-97fd-758e344fc22d.jpg "2D Structure of 7-[(2S,3R,4R)-3-[(2S,3R,4R)-3,4-dihydroxy-4-(hydroxymethyl)oxolan-2-yl]oxy-4-hydroxy-4-(hydroxymethyl)oxolan-2-yl]oxy-5-hydroxy-2-(4-hydroxyphenyl)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 | 99.42% | 91.11% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 96.70% | 94.00% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 95.17% | 89.00% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 95.03% | 97.09% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 95.01% | 94.45% |
| CHEMBL2581 | P07339 | Cathepsin D | 94.37% | 98.95% |
| CHEMBL1860 | P10827 | Thyroid hormone receptor alpha | 93.53% | 99.15% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 93.36% | 95.56% |
| CHEMBL242 | Q92731 | Estrogen receptor beta | 92.81% | 98.35% |
| CHEMBL4016 | P42262 | Glutamate receptor ionotropic, AMPA 2 | 89.74% | 86.92% |
| CHEMBL3922 | P50579 | Methionine aminopeptidase 2 | 89.01% | 97.28% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 88.93% | 95.89% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 87.28% | 86.33% |
| CHEMBL5845 | P23415 | Glycine receptor subunit alpha-1 | 86.21% | 90.71% |
| CHEMBL6175 | Q9H3R0 | Lysine-specific demethylase 4C | 86.21% | 96.69% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 84.45% | 99.23% |
| CHEMBL4940 | P07195 | L-lactate dehydrogenase B chain | 83.08% | 95.53% |
| CHEMBL226 | P30542 | Adenosine A1 receptor | 82.64% | 95.93% |
| CHEMBL3194 | P02766 | Transthyretin | 82.47% | 90.71% |
| CHEMBL5284 | Q96RR4 | CaM-kinase kinase beta | 82.30% | 89.23% |
| CHEMBL4530 | P00488 | Coagulation factor XIII | 81.85% | 96.00% |
| CHEMBL2288 | Q13526 | Peptidyl-prolyl cis-trans isomerase NIMA-interacting 1 | 80.38% | 91.71% |
| CHEMBL3476 | O15111 | Inhibitor of nuclear factor kappa B kinase alpha subunit | 80.06% | 95.83% |
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.
| Lantana trifolia |
| PubChem | 45103941 |
| LOTUS | LTS0181101 |
| wikiData | Q105208726 |