[6-[3,5-Dihydroxy-2-(4-hydroxyphenyl)-4-oxochromen-7-yl]oxy-3,4,5-trihydroxyoxan-2-yl]methyl 3-(4-hydroxyphenyl)prop-2-enoate
Internal ID | f050695c-203f-481c-b5d2-566573b44abe |
Taxonomy | Phenylpropanoids and polyketides > Flavonoids > Flavonoid glycosides > Flavonoid O-glycosides > Flavonoid-7-O-glycosides |
IUPAC Name | [6-[3,5-dihydroxy-2-(4-hydroxyphenyl)-4-oxochromen-7-yl]oxy-3,4,5-trihydroxyoxan-2-yl]methyl 3-(4-hydroxyphenyl)prop-2-enoate |
SMILES (Canonical) | C1=CC(=CC=C1C=CC(=O)OCC2C(C(C(C(O2)OC3=CC(=C4C(=C3)OC(=C(C4=O)O)C5=CC=C(C=C5)O)O)O)O)O)O |
SMILES (Isomeric) | C1=CC(=CC=C1C=CC(=O)OCC2C(C(C(C(O2)OC3=CC(=C4C(=C3)OC(=C(C4=O)O)C5=CC=C(C=C5)O)O)O)O)O)O |
InChI | InChI=1S/C30H26O13/c31-16-6-1-14(2-7-16)3-10-22(34)40-13-21-24(35)26(37)28(39)30(43-21)41-18-11-19(33)23-20(12-18)42-29(27(38)25(23)36)15-4-8-17(32)9-5-15/h1-12,21,24,26,28,30-33,35,37-39H,13H2 |
InChI Key | GVLNXQDHAFPPFW-UHFFFAOYSA-N |
Popularity | 0 references in papers |
Molecular Formula | C30H26O13 |
Molecular Weight | 594.50 g/mol |
Exact Mass | 594.13734088 g/mol |
Topological Polar Surface Area (TPSA) | 213.00 Ų |
XlogP | 2.50 |
There are no found synonyms. |
![2D Structure of [6-[3,5-Dihydroxy-2-(4-hydroxyphenyl)-4-oxochromen-7-yl]oxy-3,4,5-trihydroxyoxan-2-yl]methyl 3-(4-hydroxyphenyl)prop-2-enoate 2D Structure of [6-[3,5-Dihydroxy-2-(4-hydroxyphenyl)-4-oxochromen-7-yl]oxy-3,4,5-trihydroxyoxan-2-yl]methyl 3-(4-hydroxyphenyl)prop-2-enoate](https://plantaedb.com/storage/docs/compounds/2023/11/9b964480-853f-11ee-b59c-a7c90bbd3aa0.jpg)
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 | 99.61% | 91.11% |
CHEMBL1951 | P21397 | Monoamine oxidase A | 99.35% | 91.49% |
CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 98.28% | 89.00% |
CHEMBL2345 | P51812 | Ribosomal protein S6 kinase alpha 3 | 98.14% | 95.64% |
CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 96.76% | 86.33% |
CHEMBL3194 | P02766 | Transthyretin | 96.16% | 90.71% |
CHEMBL2581 | P07339 | Cathepsin D | 92.85% | 98.95% |
CHEMBL3137262 | O60341 | LSD1/CoREST complex | 91.32% | 97.09% |
CHEMBL3401 | O75469 | Pregnane X receptor | 90.49% | 94.73% |
CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 89.95% | 94.45% |
CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 89.82% | 99.17% |
CHEMBL5339 | Q5NUL3 | G-protein coupled receptor 120 | 89.72% | 95.78% |
CHEMBL1075094 | Q16236 | Nuclear factor erythroid 2-related factor 2 | 89.19% | 96.00% |
CHEMBL1860 | P10827 | Thyroid hormone receptor alpha | 87.78% | 99.15% |
CHEMBL2288 | Q13526 | Peptidyl-prolyl cis-trans isomerase NIMA-interacting 1 | 87.21% | 91.71% |
CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 85.83% | 94.00% |
CHEMBL4016 | P42262 | Glutamate receptor ionotropic, AMPA 2 | 85.56% | 86.92% |
CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 85.56% | 96.09% |
CHEMBL5845 | P23415 | Glycine receptor subunit alpha-1 | 85.29% | 90.71% |
CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 84.62% | 95.56% |
CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 83.84% | 95.89% |
CHEMBL2179 | P04062 | Beta-glucocerebrosidase | 82.38% | 85.31% |
CHEMBL3091268 | Q92753 | Nuclear receptor ROR-beta | 80.73% | 95.50% |
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.
Rosa canina |
PubChem | 74968527 |
LOTUS | LTS0120105 |
wikiData | Q105021422 |