3-[(6-O-alpha-L-arabinopyranosyl-beta-D-glucopyranosyl)oxy]-2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-4H-1-benzopyran-4-one
Internal ID | c3591b90-3b5f-4ac3-8ff5-3064144e1dbe |
Taxonomy | Phenylpropanoids and polyketides > Flavonoids > Flavonoid glycosides > Flavonoid O-glycosides > Flavonoid-3-O-glycosides |
IUPAC Name | 2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-3-[3,4,5-trihydroxy-6-[(3,4,5-trihydroxyoxan-2-yl)oxymethyl]oxan-2-yl]oxychromen-4-one |
SMILES (Canonical) | C1C(C(C(C(O1)OCC2C(C(C(C(O2)OC3=C(OC4=CC(=CC(=C4C3=O)O)O)C5=CC(=C(C=C5)O)O)O)O)O)O)O)O |
SMILES (Isomeric) | C1C(C(C(C(O1)OCC2C(C(C(C(O2)OC3=C(OC4=CC(=CC(=C4C3=O)O)O)C5=CC(=C(C=C5)O)O)O)O)O)O)O)O |
InChI | InChI=1S/C26H28O16/c27-9-4-12(30)16-14(5-9)40-23(8-1-2-10(28)11(29)3-8)24(19(16)34)42-26-22(37)20(35)18(33)15(41-26)7-39-25-21(36)17(32)13(31)6-38-25/h1-5,13,15,17-18,20-22,25-33,35-37H,6-7H2 |
InChI Key | YNMFDPCLPIMRFD-UHFFFAOYSA-N |
Popularity | 1 reference in papers |
Molecular Formula | C26H28O16 |
Molecular Weight | 596.50 g/mol |
Exact Mass | 596.13773480 g/mol |
Topological Polar Surface Area (TPSA) | 266.00 Ų |
XlogP | -1.70 |
3-[(6-O-alpha-L-arabinopyranosyl-beta-D-glucopyranosyl)oxy]-2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-4H-1-benzopyran-4-one |
DICYCLOPROPYLKETOXIME |
SCHEMBL22548907 |
CHEBI:191132 |
AKOS002138407 |
AKOS021729526 |
FT-0638311 |
A816656 |
2-(3,4-DIHYDROXYPHENYL)-5,7-DIHYDROXY-3-[(3,4,5-TRIHYDROXY-6-{[(3,4,5-TRIHYDROXYOXAN-2-YL)OXY]METHYL}OXAN-2-YL)OXY]-4H-CHROMEN-4-ONE |
2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-3-[3,4,5-trihydroxy-6-[(3,4,5-trihydroxyoxan-2-yl)oxymethyl]oxan-2-yl]oxychromen-4-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 | 99.76% | 91.11% |
CHEMBL1951 | P21397 | Monoamine oxidase A | 97.23% | 91.49% |
CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 96.91% | 89.00% |
CHEMBL2581 | P07339 | Cathepsin D | 96.29% | 98.95% |
CHEMBL2345 | P51812 | Ribosomal protein S6 kinase alpha 3 | 94.10% | 95.64% |
CHEMBL1860 | P10827 | Thyroid hormone receptor alpha | 92.98% | 99.15% |
CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 92.17% | 94.00% |
CHEMBL3137262 | O60341 | LSD1/CoREST complex | 90.43% | 97.09% |
CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 90.10% | 86.33% |
CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 89.94% | 96.09% |
CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 89.49% | 94.45% |
CHEMBL3401 | O75469 | Pregnane X receptor | 88.68% | 94.73% |
CHEMBL1075162 | Q13304 | Uracil nucleotide/cysteinyl leukotriene receptor | 87.68% | 80.33% |
CHEMBL5339 | Q5NUL3 | G-protein coupled receptor 120 | 85.23% | 95.78% |
CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 84.90% | 95.56% |
CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 84.15% | 99.17% |
CHEMBL4208 | P20618 | Proteasome component C5 | 83.19% | 90.00% |
CHEMBL4940 | P07195 | L-lactate dehydrogenase B chain | 82.59% | 95.53% |
CHEMBL3194 | P02766 | Transthyretin | 82.59% | 90.71% |
CHEMBL5845 | P23415 | Glycine receptor subunit alpha-1 | 82.27% | 90.71% |
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.
Achillea collina |
Calluna vulgaris |
Cistus ladanifer |
Corydalis bungeana |
Sibiraea angustata |
Vicia sativa subsp. nigra |
PubChem | 13887800 |
LOTUS | LTS0079916 |
wikiData | Q105350998 |