[6-[[3-acetyloxy-2-(3,4-dihydroxyphenyl)-5-hydroxy-3,4-dihydro-2H-chromen-7-yl]oxy]-3,4,5-trihydroxyoxan-2-yl]methyl 2-methylbutanoate
| Internal ID | cc7483bc-1b09-4b99-bb56-09a5fa12a751 |
| Taxonomy | Phenylpropanoids and polyketides > Flavonoids > Flavonoid glycosides > Flavonoid O-glycosides > Flavonoid-7-O-glycosides |
| IUPAC Name | [6-[[3-acetyloxy-2-(3,4-dihydroxyphenyl)-5-hydroxy-3,4-dihydro-2H-chromen-7-yl]oxy]-3,4,5-trihydroxyoxan-2-yl]methyl 2-methylbutanoate |
| SMILES (Canonical) | CCC(C)C(=O)OCC1C(C(C(C(O1)OC2=CC(=C3CC(C(OC3=C2)C4=CC(=C(C=C4)O)O)OC(=O)C)O)O)O)O |
| SMILES (Isomeric) | CCC(C)C(=O)OCC1C(C(C(C(O1)OC2=CC(=C3CC(C(OC3=C2)C4=CC(=C(C=C4)O)O)OC(=O)C)O)O)O)O |
| InChI | InChI=1S/C28H34O13/c1-4-12(2)27(36)37-11-22-23(33)24(34)25(35)28(41-22)39-15-8-18(31)16-10-21(38-13(3)29)26(40-20(16)9-15)14-5-6-17(30)19(32)7-14/h5-9,12,21-26,28,30-35H,4,10-11H2,1-3H3 |
| InChI Key | AQVPKTDBUSQXBL-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C28H34O13 |
| Molecular Weight | 578.60 g/mol |
| Exact Mass | 578.19994113 g/mol |
| Topological Polar Surface Area (TPSA) | 202.00 Ų |
| XlogP | 1.60 |
| There are no found synonyms. |
![2D Structure of [6-[[3-acetyloxy-2-(3,4-dihydroxyphenyl)-5-hydroxy-3,4-dihydro-2H-chromen-7-yl]oxy]-3,4,5-trihydroxyoxan-2-yl]methyl 2-methylbutanoate](https://plantaedb.com/storage/docs/compounds/2023/11/0ba475b0-8591-11ee-9367-3bc9adb10f9f.jpg "2D Structure of [6-[[3-acetyloxy-2-(3,4-dihydroxyphenyl)-5-hydroxy-3,4-dihydro-2H-chromen-7-yl]oxy]-3,4,5-trihydroxyoxan-2-yl]methyl 2-methylbutanoate")
| 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 | 99.42% | 91.11% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 99.27% | 96.09% |
| CHEMBL2581 | P07339 | Cathepsin D | 97.91% | 98.95% |
| CHEMBL1951 | P21397 | Monoamine oxidase A | 96.73% | 91.49% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 94.28% | 94.45% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 93.66% | 97.09% |
| CHEMBL3004 | P33527 | Multidrug resistance-associated protein 1 | 92.17% | 96.37% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 91.19% | 94.73% |
| CHEMBL4481 | P35228 | Nitric oxide synthase, inducible | 90.83% | 94.80% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 89.52% | 89.00% |
| CHEMBL1860 | P10827 | Thyroid hormone receptor alpha | 89.13% | 99.15% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 87.99% | 86.33% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 86.27% | 95.89% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 85.33% | 85.14% |
| CHEMBL4208 | P20618 | Proteasome component C5 | 84.94% | 90.00% |
| CHEMBL221 | P23219 | Cyclooxygenase-1 | 83.37% | 90.17% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 83.30% | 99.17% |
| CHEMBL3359 | P21462 | Formyl peptide receptor 1 | 82.63% | 93.56% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 82.36% | 99.23% |
| CHEMBL1907603 | Q05586 | Glutamate NMDA receptor; GRIN1/GRIN2B | 82.06% | 95.89% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 81.45% | 95.56% |
| CHEMBL2535 | P11166 | Glucose transporter | 80.87% | 98.75% |
| CHEMBL4793 | Q86TI2 | Dipeptidyl peptidase IX | 80.16% | 96.95% |
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 | 162957887 |
| LOTUS | LTS0220352 |
| wikiData | Q104917115 |