(2E)-1-[2-(beta-D-Glucopyranosyloxy)-6-hydroxy-4-methoxyphenyl]-3-(4-hydroxyphenyl)-2-propen-1-one
Internal ID | 7b6c6483-ea8e-4a04-a71c-250b3b70cc1e |
Taxonomy | Phenylpropanoids and polyketides > Flavonoids > Flavonoid glycosides > Flavonoid O-glycosides |
IUPAC Name | (E)-1-[2-hydroxy-4-methoxy-6-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]-3-(4-hydroxyphenyl)prop-2-en-1-one |
SMILES (Canonical) | COC1=CC(=C(C(=C1)OC2C(C(C(C(O2)CO)O)O)O)C(=O)C=CC3=CC=C(C=C3)O)O |
SMILES (Isomeric) | COC1=CC(=C(C(=C1)O[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O)O)C(=O)/C=C/C3=CC=C(C=C3)O)O |
InChI | InChI=1S/C22H24O10/c1-30-13-8-15(26)18(14(25)7-4-11-2-5-12(24)6-3-11)16(9-13)31-22-21(29)20(28)19(27)17(10-23)32-22/h2-9,17,19-24,26-29H,10H2,1H3/b7-4+/t17-,19-,20+,21-,22-/m1/s1 |
InChI Key | MNYVBVCMMNPLJI-YKCILCNNSA-N |
Popularity | 1 reference in papers |
Molecular Formula | C22H24O10 |
Molecular Weight | 448.40 g/mol |
Exact Mass | 448.13694696 g/mol |
Topological Polar Surface Area (TPSA) | 166.00 Ų |
XlogP | 1.10 |
DTXSID301117538 |
31187-54-9 |
(2E)-1-[2-(beta-D-Glucopyranosyloxy)-6-hydroxy-4-methoxyphenyl]-3-(4-hydroxyphenyl)-2-propen-1-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 | 98.94% | 91.11% |
CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 97.09% | 96.09% |
CHEMBL1075094 | Q16236 | Nuclear factor erythroid 2-related factor 2 | 94.29% | 96.00% |
CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 93.64% | 99.17% |
CHEMBL3194 | P02766 | Transthyretin | 92.85% | 90.71% |
CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 92.47% | 95.56% |
CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 92.43% | 86.33% |
CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 90.39% | 89.00% |
CHEMBL3401 | O75469 | Pregnane X receptor | 89.52% | 94.73% |
CHEMBL4208 | P20618 | Proteasome component C5 | 89.20% | 90.00% |
CHEMBL3137262 | O60341 | LSD1/CoREST complex | 88.33% | 97.09% |
CHEMBL3091268 | Q92753 | Nuclear receptor ROR-beta | 87.39% | 95.50% |
CHEMBL1907603 | Q05586 | Glutamate NMDA receptor; GRIN1/GRIN2B | 86.65% | 95.89% |
CHEMBL2288 | Q13526 | Peptidyl-prolyl cis-trans isomerase NIMA-interacting 1 | 83.48% | 91.71% |
CHEMBL2581 | P07339 | Cathepsin D | 82.11% | 98.95% |
CHEMBL1860 | P10827 | Thyroid hormone receptor alpha | 82.03% | 99.15% |
CHEMBL225 | P28335 | Serotonin 2c (5-HT2c) receptor | 80.18% | 89.62% |
CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 80.01% | 94.45% |
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.
Prunus cerasus |
Sorbus commixta |
PubChem | 14524444 |
LOTUS | LTS0194921 |
wikiData | Q105168692 |