Name: Delphinidin 3-O-glucoside
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HIT ID:HIT218697818
Cas No:50986-17-9
Common Name:Delphinidin 3-O-glucoside
IUPAC:5,7-dihydroxy-3-{[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-2-(3,4,5-trihydroxyphenyl)-1lambda4-chromen-1-ylium
IUPAC:5,7-dihydroxy-3-{[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-2-(3,4,5-trihydroxyphenyl)-1lambda4-chromen-1-ylium
InChIKey:XENHPQQLDPAYIJ-PEVLUNPASA-O

Molecular Formula:C21H21O12
Molecular Weight:465.386
Hydrogen Bond Donor (HBD):
Hydrogen Bond Acceptor (HBA):
LogP:
SMILES:OC[C@H]1O[C@@H](Oc2cc3c(O)cc(O)cc3[o+]c2-c2cc(O)c(O)c(O)c2)[C@H](O)[C@@H](O)[C@@H]1O
SMILES:OC[C@H]1O[C@@H](Oc2cc3c(O)cc(O)cc3[o+]c2-c2cc(O)c(O)c(O)c2)[C@H](O)[C@@H](O)[C@@H]1O

Delphinidin 3-O-glucoside is a natural product with anti-inflammatory and antioxidant properties. It inhibits NF-κB in mesenchymal stem cells and increases the S/G2/M cell cycle, while reducing IL-1β, IL-12, TNF-α synthesis in macrophages, reduces PD-L1 protein expression in HCT-116 cells, and inhibits cell growth (IC₅₀ = 396 ± 23 µg/mL).

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