(2S)-2-(3,5-dihydroxy-4-methoxyphenyl)-5-hydroxy-6,8-dimethyl-7-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-2,3-dihydrochromen-4-one
| Internal ID | 243c9422-a06c-47d7-b94d-a893c791a302 |
| Taxonomy | Phenylpropanoids and polyketides > Flavonoids > Flavonoid glycosides > Flavonoid O-glycosides > Flavonoid-7-O-glycosides |
| IUPAC Name | (2S)-2-(3,5-dihydroxy-4-methoxyphenyl)-5-hydroxy-6,8-dimethyl-7-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-2,3-dihydrochromen-4-one |
| SMILES (Canonical) | CC1=C(C2=C(C(=C1OC3C(C(C(C(O3)CO)O)O)O)C)OC(CC2=O)C4=CC(=C(C(=C4)O)OC)O)O |
| SMILES (Isomeric) | CC1=C(C2=C(C(=C1O[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)O)O)C)O[C@@H](CC2=O)C4=CC(=C(C(=C4)O)OC)O)O |
| InChI | InChI=1S/C24H28O12/c1-8-17(29)16-11(26)6-14(10-4-12(27)23(33-3)13(28)5-10)34-22(16)9(2)21(8)36-24-20(32)19(31)18(30)15(7-25)35-24/h4-5,14-15,18-20,24-25,27-32H,6-7H2,1-3H3/t14-,15+,18+,19-,20+,24-/m0/s1 |
| InChI Key | GNSZORQLSBGISE-QAZUOQDGSA-N |
| Popularity | 1 reference in papers |
| Molecular Formula | C24H28O12 |
| Molecular Weight | 508.50 g/mol |
| Exact Mass | 508.15807632 g/mol |
| Topological Polar Surface Area (TPSA) | 196.00 Ų |
| XlogP | 0.90 |
| BDBM50498274 |
![2D Structure of (2S)-2-(3,5-dihydroxy-4-methoxyphenyl)-5-hydroxy-6,8-dimethyl-7-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-2,3-dihydrochromen-4-one](https://plantaedb.com/storage/docs/compounds/2023/11/6cb8d790-86bb-11ee-b480-e1db7f3d97ce.jpg "2D Structure of (2S)-2-(3,5-dihydroxy-4-methoxyphenyl)-5-hydroxy-6,8-dimethyl-7-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-2,3-dihydrochromen-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 | 99.34% | 91.11% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 96.54% | 85.14% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 94.70% | 96.09% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 93.07% | 94.00% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 91.83% | 89.00% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 91.75% | 95.56% |
| CHEMBL2581 | P07339 | Cathepsin D | 91.33% | 98.95% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 90.29% | 97.09% |
| CHEMBL3880 | P07900 | Heat shock protein HSP 90-alpha | 88.78% | 96.21% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 88.51% | 94.45% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 84.90% | 94.73% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 84.71% | 99.17% |
| CHEMBL1860 | P10827 | Thyroid hormone receptor alpha | 83.88% | 99.15% |
| CHEMBL4208 | P20618 | Proteasome component C5 | 83.16% | 90.00% |
| CHEMBL2345 | P51812 | Ribosomal protein S6 kinase alpha 3 | 82.95% | 95.64% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 81.59% | 99.23% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 81.06% | 95.89% |
| CHEMBL4016 | P42262 | Glutamate receptor ionotropic, AMPA 2 | 80.90% | 86.92% |
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.
| There are no matching plants. |
| PubChem | 122179244 |
| LOTUS | LTS0093032 |
| wikiData | Q105013264 |