Delphinidin 3-(acetylglucoside)
Internal ID | 3450d8c0-2617-4082-87cc-c30b332c5bda |
Taxonomy | Phenylpropanoids and polyketides > Flavonoids > Flavonoid glycosides > Anthocyanins > Anthocyanidin-3-O-glycosides |
IUPAC Name | [(2R,3S,4S,5R,6S)-6-[5,7-dihydroxy-2-(3,4,5-trihydroxyphenyl)chromenylium-3-yl]oxy-3,4,5-trihydroxyoxan-2-yl]methyl acetate |
SMILES (Canonical) | CC(=O)OCC1C(C(C(C(O1)OC2=CC3=C(C=C(C=C3[O+]=C2C4=CC(=C(C(=C4)O)O)O)O)O)O)O)O |
SMILES (Isomeric) | CC(=O)OC[C@@H]1[C@H]([C@@H]([C@H]([C@@H](O1)OC2=CC3=C(C=C(C=C3[O+]=C2C4=CC(=C(C(=C4)O)O)O)O)O)O)O)O |
InChI | InChI=1S/C23H22O13/c1-8(24)33-7-17-19(30)20(31)21(32)23(36-17)35-16-6-11-12(26)4-10(25)5-15(11)34-22(16)9-2-13(27)18(29)14(28)3-9/h2-6,17,19-21,23,30-32H,7H2,1H3,(H4-,25,26,27,28,29)/p+1/t17-,19-,20+,21-,23-/m1/s1 |
InChI Key | QPXIWIXIRHZIMM-OXUVVOBNSA-O |
Popularity | 1 reference in papers |
Molecular Formula | C23H23O13+ |
Molecular Weight | 507.40 g/mol |
Exact Mass | 507.11386578 g/mol |
Topological Polar Surface Area (TPSA) | 208.00 Ų |
XlogP | 0.00 |
Delphinidin 3-(acetyl-glucoside) |
Delphinidin 3-(6''-acetyl-glucoside) |
delphinidin 3-O-(6-O-acetyl-beta-D-glucoside) |
Delphinidin 3-(6''-acetylglucoside) |
[(2R,3S,4S,5R,6S)-6-[5,7-dihydroxy-2-(3,4,5-trihydroxyphenyl)chromenylium-3-yl]oxy-3,4,5-trihydroxyoxan-2-yl]methyl acetate |
66594-00-1 |
CHEBI:75678 |
DTXSID301341486 |
Delphinidin 3-O-(6''-acetyl-glucoside) |
Q27145473 |
There are more than 10 synonyms. If you wish to see them all click here. |
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 | 99.29% | 91.11% |
CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 96.96% | 96.09% |
CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 95.51% | 89.00% |
CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 93.32% | 94.00% |
CHEMBL1951 | P21397 | Monoamine oxidase A | 92.45% | 91.49% |
CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 91.64% | 99.17% |
CHEMBL2581 | P07339 | Cathepsin D | 91.04% | 98.95% |
CHEMBL3401 | O75469 | Pregnane X receptor | 90.23% | 94.73% |
CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 87.40% | 86.33% |
CHEMBL1860 | P10827 | Thyroid hormone receptor alpha | 85.46% | 99.15% |
CHEMBL3194 | P02766 | Transthyretin | 83.18% | 90.71% |
CHEMBL4793 | Q86TI2 | Dipeptidyl peptidase IX | 82.53% | 96.95% |
CHEMBL2345 | P51812 | Ribosomal protein S6 kinase alpha 3 | 82.52% | 95.64% |
CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 81.67% | 94.45% |
CHEMBL3714130 | P46095 | G-protein coupled receptor 6 | 81.40% | 97.36% |
CHEMBL2111367 | P27986 | PI3-kinase p110-alpha/p85-alpha | 81.00% | 94.33% |
CHEMBL2373 | P21730 | C5a anaphylatoxin chemotactic receptor | 80.93% | 92.62% |
CHEMBL3091268 | Q92753 | Nuclear receptor ROR-beta | 80.51% | 95.50% |
CHEMBL1075094 | Q16236 | Nuclear factor erythroid 2-related factor 2 | 80.42% | 96.00% |
CHEMBL1937 | Q92769 | Histone deacetylase 2 | 80.01% | 94.75% |
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.
Vaccinium angustifolium |
Vaccinium corymbosum |
Vitis vinifera |
PubChem | 15385440 |
LOTUS | LTS0173878 |
wikiData | Q27145473 |