2-[3-(2,4-dihydroxyphenoxy)-4-hydroxyphenyl]-5,7-dihydroxy-3-[(2R,3S,4R,5S,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxychromen-4-one
| Internal ID | 42f003d4-9574-461c-b621-40c6d6f4cb1e |
| Taxonomy | Phenylpropanoids and polyketides > Flavonoids > Flavonoid glycosides > Flavonoid O-glycosides > Flavonoid-3-O-glycosides |
| IUPAC Name | 2-[3-(2,4-dihydroxyphenoxy)-4-hydroxyphenyl]-5,7-dihydroxy-3-[(2R,3S,4R,5S,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxychromen-4-one |
| SMILES (Canonical) | CC1C(C(C(C(O1)OC2=C(OC3=CC(=CC(=C3C2=O)O)O)C4=CC(=C(C=C4)O)OC5=C(C=C(C=C5)O)O)O)O)O |
| SMILES (Isomeric) | C[C@H]1[C@H]([C@H]([C@@H]([C@H](O1)OC2=C(OC3=CC(=CC(=C3C2=O)O)O)C4=CC(=C(C=C4)O)OC5=C(C=C(C=C5)O)O)O)O)O |
| InChI | InChI=1S/C27H24O13/c1-10-21(33)23(35)24(36)27(37-10)40-26-22(34)20-16(32)8-13(29)9-19(20)39-25(26)11-2-4-14(30)18(6-11)38-17-5-3-12(28)7-15(17)31/h2-10,21,23-24,27-33,35-36H,1H3/t10-,21+,23+,24-,27+/m0/s1 |
| InChI Key | TXRCUIQHVILEIK-KRESPCRMSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C27H24O13 |
| Molecular Weight | 556.50 g/mol |
| Exact Mass | 556.12169082 g/mol |
| Topological Polar Surface Area (TPSA) | 216.00 Ų |
| XlogP | 2.00 |
| There are no found synonyms. |
![2D Structure of 2-[3-(2,4-dihydroxyphenoxy)-4-hydroxyphenyl]-5,7-dihydroxy-3-[(2R,3S,4R,5S,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxychromen-4-one](https://plantaedb.com/storage/docs/compounds/2023/11/9a14f730-8607-11ee-8194-c9606dea3e19.jpg "2D Structure of 2-[3-(2,4-dihydroxyphenoxy)-4-hydroxyphenyl]-5,7-dihydroxy-3-[(2R,3S,4R,5S,6S)-3,4,5-trihydroxy-6-methyloxan-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 |
|---|---|---|---|---|
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 97.58% | 89.00% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 96.79% | 91.11% |
| CHEMBL1951 | P21397 | Monoamine oxidase A | 96.75% | 91.49% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 95.56% | 86.33% |
| CHEMBL2581 | P07339 | Cathepsin D | 95.27% | 98.95% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 95.26% | 94.00% |
| CHEMBL3194 | P02766 | Transthyretin | 95.03% | 90.71% |
| CHEMBL1860 | P10827 | Thyroid hormone receptor alpha | 93.47% | 99.15% |
| CHEMBL5339 | Q5NUL3 | G-protein coupled receptor 120 | 93.08% | 95.78% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 90.89% | 94.73% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 90.33% | 95.56% |
| CHEMBL5845 | P23415 | Glycine receptor subunit alpha-1 | 88.73% | 90.71% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 88.24% | 96.09% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 87.96% | 99.17% |
| CHEMBL4940 | P07195 | L-lactate dehydrogenase B chain | 86.50% | 95.53% |
| CHEMBL2345 | P51812 | Ribosomal protein S6 kinase alpha 3 | 84.30% | 95.64% |
| CHEMBL1907603 | Q05586 | Glutamate NMDA receptor; GRIN1/GRIN2B | 82.69% | 95.89% |
| CHEMBL2085 | P14174 | Macrophage migration inhibitory factor | 82.67% | 80.78% |
| CHEMBL5409 | Q8TDU6 | G-protein coupled bile acid receptor 1 | 82.33% | 93.65% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 81.90% | 99.23% |
| CHEMBL4208 | P20618 | Proteasome component C5 | 81.23% | 90.00% |
| CHEMBL4530 | P00488 | Coagulation factor XIII | 80.60% | 96.00% |
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.
| Psorospermum androsaemifolium |
| PubChem | 162930610 |
| LOTUS | LTS0111675 |
| wikiData | Q105266934 |