[6-[4-(3,5-Dihydroxy-7-methoxy-4-oxo-2,3-dihydrochromen-2-yl)phenoxy]-3,4,5-trihydroxyoxan-2-yl]methyl 3-(4-hydroxyphenyl)prop-2-enoate
| Internal ID | 7980b821-588d-473d-b930-0e910041aeef |
| Taxonomy | Phenylpropanoids and polyketides > Flavonoids > Flavonoid glycosides > Flavonoid O-glycosides |
| IUPAC Name | [6-[4-(3,5-dihydroxy-7-methoxy-4-oxo-2,3-dihydrochromen-2-yl)phenoxy]-3,4,5-trihydroxyoxan-2-yl]methyl 3-(4-hydroxyphenyl)prop-2-enoate |
| SMILES (Canonical) | COC1=CC(=C2C(=C1)OC(C(C2=O)O)C3=CC=C(C=C3)OC4C(C(C(C(O4)COC(=O)C=CC5=CC=C(C=C5)O)O)O)O)O |
| SMILES (Isomeric) | COC1=CC(=C2C(=C1)OC(C(C2=O)O)C3=CC=C(C=C3)OC4C(C(C(C(O4)COC(=O)C=CC5=CC=C(C=C5)O)O)O)O)O |
| InChI | InChI=1S/C31H30O13/c1-40-19-12-20(33)24-21(13-19)43-30(28(38)26(24)36)16-5-9-18(10-6-16)42-31-29(39)27(37)25(35)22(44-31)14-41-23(34)11-4-15-2-7-17(32)8-3-15/h2-13,22,25,27-33,35,37-39H,14H2,1H3 |
| InChI Key | YYBSRAZZCBNBBC-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C31H30O13 |
| Molecular Weight | 610.60 g/mol |
| Exact Mass | 610.16864101 g/mol |
| Topological Polar Surface Area (TPSA) | 202.00 Ų |
| XlogP | 2.10 |
| There are no found synonyms. |
![2D Structure of [6-[4-(3,5-Dihydroxy-7-methoxy-4-oxo-2,3-dihydrochromen-2-yl)phenoxy]-3,4,5-trihydroxyoxan-2-yl]methyl 3-(4-hydroxyphenyl)prop-2-enoate](https://plantaedb.com/storage/docs/compounds/2023/11/788910b0-8618-11ee-b25f-7d39d5d0c934.jpg "2D Structure of [6-[4-(3,5-Dihydroxy-7-methoxy-4-oxo-2,3-dihydrochromen-2-yl)phenoxy]-3,4,5-trihydroxyoxan-2-yl]methyl 3-(4-hydroxyphenyl)prop-2-enoate")
| 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 | 99.43% | 91.11% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 96.62% | 86.33% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 96.39% | 96.09% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 95.57% | 97.09% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 94.45% | 89.00% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 93.93% | 95.56% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 92.62% | 99.17% |
| CHEMBL226 | P30542 | Adenosine A1 receptor | 91.95% | 95.93% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 91.95% | 85.14% |
| CHEMBL1075094 | Q16236 | Nuclear factor erythroid 2-related factor 2 | 91.85% | 96.00% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 91.77% | 94.73% |
| CHEMBL2581 | P07339 | Cathepsin D | 89.10% | 98.95% |
| CHEMBL1860 | P10827 | Thyroid hormone receptor alpha | 88.26% | 99.15% |
| CHEMBL4208 | P20618 | Proteasome component C5 | 87.10% | 90.00% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 85.04% | 99.23% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 83.57% | 94.45% |
| CHEMBL2007 | P16234 | Platelet-derived growth factor receptor alpha | 83.16% | 91.07% |
| CHEMBL3091268 | Q92753 | Nuclear receptor ROR-beta | 83.00% | 95.50% |
| CHEMBL3194 | P02766 | Transthyretin | 82.89% | 90.71% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 81.82% | 95.89% |
| CHEMBL2535 | P11166 | Glucose transporter | 81.20% | 98.75% |
| CHEMBL2288 | Q13526 | Peptidyl-prolyl cis-trans isomerase NIMA-interacting 1 | 80.54% | 91.71% |
| CHEMBL1951 | P21397 | Monoamine oxidase A | 80.08% | 91.49% |
| CHEMBL4016 | P42262 | Glutamate receptor ionotropic, AMPA 2 | 80.01% | 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.
| Corymbia maculata |
| PubChem | 162966630 |
| LOTUS | LTS0267412 |
| wikiData | Q105368376 |