5,7-dihydroxy-2-[3-hydroxy-2-methoxy-6-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]-8-methoxychromen-4-one
| Internal ID | e1e533e1-ae92-4ae7-9b6f-e105295deeef |
| Taxonomy | Phenylpropanoids and polyketides > Flavonoids > O-methylated flavonoids > 8-O-methylated flavonoids |
| IUPAC Name | 5,7-dihydroxy-2-[3-hydroxy-2-methoxy-6-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]-8-methoxychromen-4-one |
| SMILES (Canonical) | COC1=C(C=CC(=C1C2=CC(=O)C3=C(O2)C(=C(C=C3O)O)OC)OC4C(C(C(C(O4)CO)O)O)O)O |
| SMILES (Isomeric) | COC1=C(C=CC(=C1C2=CC(=O)C3=C(O2)C(=C(C=C3O)O)OC)O[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)CO)O)O)O)O |
| InChI | InChI=1S/C23H24O13/c1-32-20-8(25)3-4-12(35-23-19(31)18(30)17(29)14(7-24)36-23)16(20)13-6-10(27)15-9(26)5-11(28)21(33-2)22(15)34-13/h3-6,14,17-19,23-26,28-31H,7H2,1-2H3/t14-,17-,18+,19-,23-/m1/s1 |
| InChI Key | KCQRDVPUUNCDDW-ARSJFUCGSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C23H24O13 |
| Molecular Weight | 508.40 g/mol |
| Exact Mass | 508.12169082 g/mol |
| Topological Polar Surface Area (TPSA) | 205.00 Ų |
| XlogP | 0.40 |
| 155014-34-9 |
| 5,7,3',6'-Tetrahydroxy-8,2'-dimethoxyflavone 6'-glucoside |
| viscidulin III-O-glucoside |
| viscidulin III 6'-O-beta-D-glucoside |
![2D Structure of 5,7-dihydroxy-2-[3-hydroxy-2-methoxy-6-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]-8-methoxychromen-4-one](https://plantaedb.com/storage/docs/compounds/2023/11/718f0e70-85f2-11ee-aa95-991631dd55ce.jpg "2D Structure of 5,7-dihydroxy-2-[3-hydroxy-2-methoxy-6-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]-8-methoxychromen-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 | 98.48% | 91.11% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 93.88% | 94.00% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 93.52% | 89.00% |
| CHEMBL2581 | P07339 | Cathepsin D | 91.55% | 98.95% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 90.69% | 94.73% |
| CHEMBL3880 | P07900 | Heat shock protein HSP 90-alpha | 90.17% | 96.21% |
| CHEMBL1860 | P10827 | Thyroid hormone receptor alpha | 89.27% | 99.15% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 88.19% | 95.56% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 87.62% | 99.17% |
| CHEMBL3194 | P02766 | Transthyretin | 86.70% | 90.71% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 85.90% | 86.33% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 85.27% | 96.09% |
| CHEMBL1075094 | Q16236 | Nuclear factor erythroid 2-related factor 2 | 81.26% | 96.00% |
| CHEMBL4208 | P20618 | Proteasome component C5 | 80.34% | 90.00% |
| CHEMBL4016 | P42262 | Glutamate receptor ionotropic, AMPA 2 | 80.21% | 86.92% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 80.06% | 94.45% |
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.
| Scutellaria baicalensis |
| PubChem | 102445446 |
| LOTUS | LTS0061433 |
| wikiData | Q105138893 |