[3,5-Dihydroxy-2-[5-hydroxy-2-(4-methoxyphenyl)-4-oxochromen-7-yl]oxy-6-(hydroxymethyl)oxan-4-yl] acetate
| Internal ID | 091d4863-8e23-4395-955f-e4f2692258d0 |
| Taxonomy | Phenylpropanoids and polyketides > Flavonoids > Flavonoid glycosides > Flavonoid O-glycosides > Flavonoid-7-O-glycosides |
| IUPAC Name | [3,5-dihydroxy-2-[5-hydroxy-2-(4-methoxyphenyl)-4-oxochromen-7-yl]oxy-6-(hydroxymethyl)oxan-4-yl] acetate |
| SMILES (Canonical) | CC(=O)OC1C(C(OC(C1O)OC2=CC(=C3C(=C2)OC(=CC3=O)C4=CC=C(C=C4)OC)O)CO)O |
| SMILES (Isomeric) | CC(=O)OC1C(C(OC(C1O)OC2=CC(=C3C(=C2)OC(=CC3=O)C4=CC=C(C=C4)OC)O)CO)O |
| InChI | InChI=1S/C24H24O11/c1-11(26)32-23-21(29)19(10-25)35-24(22(23)30)33-14-7-15(27)20-16(28)9-17(34-18(20)8-14)12-3-5-13(31-2)6-4-12/h3-9,19,21-25,27,29-30H,10H2,1-2H3 |
| InChI Key | PHHUKAWWGOZQSD-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C24H24O11 |
| Molecular Weight | 488.40 g/mol |
| Exact Mass | 488.13186158 g/mol |
| Topological Polar Surface Area (TPSA) | 161.00 Ų |
| XlogP | 0.80 |
| There are no found synonyms. |
![2D Structure of [3,5-Dihydroxy-2-[5-hydroxy-2-(4-methoxyphenyl)-4-oxochromen-7-yl]oxy-6-(hydroxymethyl)oxan-4-yl] acetate](https://plantaedb.com/storage/docs/compounds/2023/11/5fdcd300-871d-11ee-a9be-e112f9e0a876.jpg "2D Structure of [3,5-Dihydroxy-2-[5-hydroxy-2-(4-methoxyphenyl)-4-oxochromen-7-yl]oxy-6-(hydroxymethyl)oxan-4-yl] acetate")
| 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 | 99.67% | 91.11% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 99.01% | 85.14% |
| CHEMBL2581 | P07339 | Cathepsin D | 96.99% | 98.95% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 96.93% | 94.00% |
| CHEMBL4016 | P42262 | Glutamate receptor ionotropic, AMPA 2 | 94.99% | 86.92% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 94.44% | 89.00% |
| CHEMBL1860 | P10827 | Thyroid hormone receptor alpha | 93.14% | 99.15% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 93.03% | 96.09% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 92.45% | 94.45% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 91.21% | 95.56% |
| CHEMBL1951 | P21397 | Monoamine oxidase A | 90.65% | 91.49% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 88.04% | 94.73% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 87.55% | 86.33% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 86.63% | 99.17% |
| CHEMBL3922 | P50579 | Methionine aminopeptidase 2 | 85.43% | 97.28% |
| CHEMBL1907603 | Q05586 | Glutamate NMDA receptor; GRIN1/GRIN2B | 84.51% | 95.89% |
| CHEMBL1293277 | O15118 | Niemann-Pick C1 protein | 84.14% | 81.11% |
| CHEMBL340 | P08684 | Cytochrome P450 3A4 | 83.86% | 91.19% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 83.60% | 97.09% |
| CHEMBL5284 | Q96RR4 | CaM-kinase kinase beta | 82.16% | 89.23% |
| CHEMBL3194 | P02766 | Transthyretin | 81.90% | 90.71% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 81.79% | 95.89% |
| CHEMBL1907 | P15144 | Aminopeptidase N | 81.32% | 93.31% |
| CHEMBL4208 | P20618 | Proteasome component C5 | 81.13% | 90.00% |
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.
| Chrysanthemum morifolium |
| PubChem | 162929505 |
| LOTUS | LTS0070320 |
| wikiData | Q105208964 |