5-hydroxy-2-(3-hydroxy-4-methoxyphenyl)-3-methoxy-7-[(2S,3S,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxychromen-4-one
| Internal ID | 09813ed2-445d-4324-a75a-e28683097c30 |
| Taxonomy | Phenylpropanoids and polyketides > Flavonoids > Flavonoid glycosides > Flavonoid O-glycosides > Flavonoid-7-O-glycosides |
| IUPAC Name | 5-hydroxy-2-(3-hydroxy-4-methoxyphenyl)-3-methoxy-7-[(2S,3S,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxychromen-4-one |
| SMILES (Canonical) | CC1C(C(C(C(O1)OC2=CC(=C3C(=C2)OC(=C(C3=O)OC)C4=CC(=C(C=C4)OC)O)O)O)O)O |
| SMILES (Isomeric) | C[C@H]1[C@@H]([C@H]([C@@H]([C@@H](O1)OC2=CC(=C3C(=C2)OC(=C(C3=O)OC)C4=CC(=C(C=C4)OC)O)O)O)O)O |
| InChI | InChI=1S/C23H24O11/c1-9-17(26)19(28)20(29)23(32-9)33-11-7-13(25)16-15(8-11)34-21(22(31-3)18(16)27)10-4-5-14(30-2)12(24)6-10/h4-9,17,19-20,23-26,28-29H,1-3H3/t9-,17-,19+,20-,23-/m0/s1 |
| InChI Key | FGDQRFWUEZLUQA-CBHYKBTRSA-N |
| Popularity | 1 reference in papers |
| Molecular Formula | C23H24O11 |
| Molecular Weight | 476.40 g/mol |
| Exact Mass | 476.13186158 g/mol |
| Topological Polar Surface Area (TPSA) | 164.00 Ų |
| XlogP | 1.50 |
| There are no found synonyms. |
![2D Structure of 5-hydroxy-2-(3-hydroxy-4-methoxyphenyl)-3-methoxy-7-[(2S,3S,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxychromen-4-one](https://plantaedb.com/storage/docs/compounds/2023/11/9b402440-85b2-11ee-b6ab-ad9aceb71246.jpg "2D Structure of 5-hydroxy-2-(3-hydroxy-4-methoxyphenyl)-3-methoxy-7-[(2S,3S,4R,5R,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 |
|---|---|---|---|---|
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 97.81% | 91.11% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 97.35% | 94.00% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 97.31% | 89.00% |
| CHEMBL1951 | P21397 | Monoamine oxidase A | 96.89% | 91.49% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 96.26% | 86.33% |
| CHEMBL2581 | P07339 | Cathepsin D | 94.13% | 98.95% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 92.25% | 96.09% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 91.37% | 85.14% |
| CHEMBL5339 | Q5NUL3 | G-protein coupled receptor 120 | 90.44% | 95.78% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 89.47% | 95.56% |
| CHEMBL1860 | P10827 | Thyroid hormone receptor alpha | 89.21% | 99.15% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 88.20% | 99.17% |
| CHEMBL3194 | P02766 | Transthyretin | 86.60% | 90.71% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 85.27% | 94.73% |
| CHEMBL5845 | P23415 | Glycine receptor subunit alpha-1 | 85.24% | 90.71% |
| CHEMBL4940 | P07195 | L-lactate dehydrogenase B chain | 83.88% | 95.53% |
| CHEMBL4208 | P20618 | Proteasome component C5 | 82.96% | 90.00% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 81.94% | 99.23% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 81.08% | 95.89% |
| CHEMBL1075094 | Q16236 | Nuclear factor erythroid 2-related factor 2 | 80.60% | 96.00% |
| CHEMBL2535 | P11166 | Glucose transporter | 80.06% | 98.75% |
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.
| Bidens pilosa |
| PubChem | 162828356 |
| LOTUS | LTS0237941 |
| wikiData | Q104994842 |