7-[(2S,3R,4R)-3,4-dihydroxy-4-(hydroxymethyl)oxolan-2-yl]oxy-5,6-dihydroxy-2-(4-hydroxyphenyl)chromen-4-one
| Internal ID | 4e9dfcc8-ff16-4a93-adb4-104f2d9e1c01 |
| Taxonomy | Phenylpropanoids and polyketides > Flavonoids > Flavones |
| IUPAC Name | 7-[(2S,3R,4R)-3,4-dihydroxy-4-(hydroxymethyl)oxolan-2-yl]oxy-5,6-dihydroxy-2-(4-hydroxyphenyl)chromen-4-one |
| SMILES (Canonical) | C1C(C(C(O1)OC2=C(C(=C3C(=C2)OC(=CC3=O)C4=CC=C(C=C4)O)O)O)O)(CO)O |
| SMILES (Isomeric) | C1[C@@]([C@H]([C@@H](O1)OC2=C(C(=C3C(=C2)OC(=CC3=O)C4=CC=C(C=C4)O)O)O)O)(CO)O |
| InChI | InChI=1S/C20H18O10/c21-7-20(27)8-28-19(18(20)26)30-14-6-13-15(17(25)16(14)24)11(23)5-12(29-13)9-1-3-10(22)4-2-9/h1-6,18-19,21-22,24-27H,7-8H2/t18-,19-,20+/m0/s1 |
| InChI Key | HRQGUMGQNSQXQT-SLFFLAALSA-N |
| Popularity | 1 reference in papers |
| Molecular Formula | C20H18O10 |
| Molecular Weight | 418.30 g/mol |
| Exact Mass | 418.08999677 g/mol |
| Topological Polar Surface Area (TPSA) | 166.00 Ų |
| XlogP | 0.90 |
| There are no found synonyms. |
![2D Structure of 7-[(2S,3R,4R)-3,4-dihydroxy-4-(hydroxymethyl)oxolan-2-yl]oxy-5,6-dihydroxy-2-(4-hydroxyphenyl)chromen-4-one](https://plantaedb.com/storage/docs/compounds/2023/11/c5775d40-864b-11ee-92c6-118390e7c4dc.jpg "2D Structure of 7-[(2S,3R,4R)-3,4-dihydroxy-4-(hydroxymethyl)oxolan-2-yl]oxy-5,6-dihydroxy-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 | 99.36% | 91.11% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 96.99% | 94.00% |
| CHEMBL2581 | P07339 | Cathepsin D | 96.09% | 98.95% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 95.94% | 89.00% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 95.28% | 94.45% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 91.55% | 97.09% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 90.52% | 86.33% |
| CHEMBL5845 | P23415 | Glycine receptor subunit alpha-1 | 90.18% | 90.71% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 90.13% | 95.89% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 89.19% | 95.56% |
| CHEMBL4016 | P42262 | Glutamate receptor ionotropic, AMPA 2 | 88.98% | 86.92% |
| CHEMBL1907603 | Q05586 | Glutamate NMDA receptor; GRIN1/GRIN2B | 88.85% | 95.89% |
| CHEMBL3922 | P50579 | Methionine aminopeptidase 2 | 88.11% | 97.28% |
| CHEMBL1860 | P10827 | Thyroid hormone receptor alpha | 84.61% | 99.15% |
| CHEMBL5339 | Q5NUL3 | G-protein coupled receptor 120 | 84.32% | 95.78% |
| CHEMBL6175 | Q9H3R0 | Lysine-specific demethylase 4C | 83.70% | 96.69% |
| CHEMBL241 | Q14432 | Phosphodiesterase 3A | 80.95% | 92.94% |
| CHEMBL4940 | P07195 | L-lactate dehydrogenase B chain | 80.17% | 95.53% |
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 | 45103939 |
| LOTUS | LTS0050972 |
| wikiData | Q105032771 |