3-(3,4-Dihydroxyphenyl)-7-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxychromen-4-one
| Internal ID | fa8cb9a0-839d-47c0-8c9a-4e8a6af2ce1f |
| Taxonomy | Phenylpropanoids and polyketides > Isoflavonoids > Isoflavonoid O-glycosides |
| IUPAC Name | 3-(3,4-dihydroxyphenyl)-7-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxychromen-4-one |
| SMILES (Canonical) | C1=CC(=C(C=C1C2=COC3=C(C2=O)C=CC(=C3)OC4C(C(C(C(O4)CO)O)O)O)O)O |
| SMILES (Isomeric) | C1=CC(=C(C=C1C2=COC3=C(C2=O)C=CC(=C3)OC4C(C(C(C(O4)CO)O)O)O)O)O |
| InChI | InChI=1S/C21H20O10/c22-7-16-18(26)19(27)20(28)21(31-16)30-10-2-3-11-15(6-10)29-8-12(17(11)25)9-1-4-13(23)14(24)5-9/h1-6,8,16,18-24,26-28H,7H2 |
| InChI Key | KSBKFMPADQUMTG-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C21H20O10 |
| Molecular Weight | 432.40 g/mol |
| Exact Mass | 432.10564683 g/mol |
| Topological Polar Surface Area (TPSA) | 166.00 Ų |
| XlogP | 0.30 |
| There are no found synonyms. |
![2D Structure of 3-(3,4-Dihydroxyphenyl)-7-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxychromen-4-one](https://plantaedb.com/storage/docs/compounds/2023/11/3-34-dihydroxyphenyl-7-345-trihydroxy-6-hydroxymethyloxan-2-yloxychromen-4-one.jpg "2D Structure of 3-(3,4-Dihydroxyphenyl)-7-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-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 | 99.80% | 91.11% |
| CHEMBL1860 | P10827 | Thyroid hormone receptor alpha | 96.81% | 99.15% |
| CHEMBL2581 | P07339 | Cathepsin D | 96.70% | 98.95% |
| CHEMBL1951 | P21397 | Monoamine oxidase A | 96.23% | 91.49% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 95.59% | 89.00% |
| CHEMBL4016 | P42262 | Glutamate receptor ionotropic, AMPA 2 | 92.88% | 86.92% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 91.99% | 94.00% |
| CHEMBL2085 | P14174 | Macrophage migration inhibitory factor | 91.50% | 80.78% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 89.96% | 97.09% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 88.90% | 99.17% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 88.08% | 95.56% |
| CHEMBL5339 | Q5NUL3 | G-protein coupled receptor 120 | 86.27% | 95.78% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 86.18% | 86.33% |
| CHEMBL3880 | P07900 | Heat shock protein HSP 90-alpha | 85.67% | 96.21% |
| CHEMBL1075094 | Q16236 | Nuclear factor erythroid 2-related factor 2 | 82.62% | 96.00% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 82.60% | 95.89% |
| CHEMBL4940 | P07195 | L-lactate dehydrogenase B chain | 82.46% | 95.53% |
| CHEMBL2288 | Q13526 | Peptidyl-prolyl cis-trans isomerase NIMA-interacting 1 | 81.65% | 91.71% |
| CHEMBL226 | P30542 | Adenosine A1 receptor | 81.63% | 95.93% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 81.60% | 94.73% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 81.21% | 96.09% |
| CHEMBL1907 | P15144 | Aminopeptidase N | 80.92% | 93.31% |
| CHEMBL3476 | O15111 | Inhibitor of nuclear factor kappa B kinase alpha subunit | 80.69% | 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.
| Phyllolobium chinense |
| PubChem | 162911485 |
| LOTUS | LTS0223358 |
| wikiData | Q105145342 |