Cyanidin-3-O-sambubioside chloride

Category	Influenza Virus
CAS	33012-73-6
Description	Cyanidin 3-sambubioside chloride (Cyanidin-3-O-sambubioside chloride), a major anthocyanin, a natural colorant, and is a potent NO inhibitor. Cyanidin 3-sambubioside chloride is a H274Y mutation inhibitor, and inhibits influenza neuraminidase activity with an IC50 of 72 μM. Cyanidin 3-sambubioside chloride inhibits angiotensin-converting enzyme (ACE) activity and has antioxidant, anti-angiogenic and antiviral properties.

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Synonyms	Cyanidin 3-sambubioside; cyanidin 3-O-(2-O-xylopyranosylglycopyranoside); 3-(((2S,3R,4S,5S,6R)-4,5-Dihydroxy-6-(hydroxymethyl)-3-(((2S,3R,4S,5R)-3,4,5-trihydroxytetrahydro-2H-pyran-2-yl)oxy)tetrahydro-2H-pyran-2-yl)oxy)-2-(3,4-dihydroxyphenyl)-5,7-dihydroxychromenylium chloride
IUPAC Name	(2S,3R,4S,5R)-2-[(2S,3R,4S,5S,6R)-2-[2-(3,4-dihydroxyphenyl)-5,7-dihydroxychromenylium-3-yl]oxy-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]oxyoxane-3,4,5-triol;chloride
Molecular Weight	616.95
Molecular Formula	C26H29ClO15
Canonical SMILES	C1C(C(C(C(O1)OC2C(C(C(OC2OC3=CC4=C(C=C(C=C4[O+]=C3C5=CC(=C(C=C5)O)O)O)O)CO)O)O)O)O)O.[Cl-]
InChI	InChI=1S/C26H28O15.ClH/c27-7-18-20(34)21(35)24(41-25-22(36)19(33)15(32)8-37-25)26(40-18)39-17-6-11-13(30)4-10(28)5-16(11)38-23(17)9-1-2-12(29)14(31)3-9;/h1-6,15,18-22,24-27,32-36H,7-8H2,(H3-,28,29,30,31);1H/t15-,18-,19+,20-,21+,22-,24-,25+,26-;/m1./s1
InChIKey	BWHXEGJOYVNGQH-XOBUMVIESA-N
Purity	95%
Solubility	Soluble in methan
Appearance	Brown to black (Solid)
Storage	4°C, sealed storage, away from moisture and light * In solvent : -80°C 6 months; -20°C 1 month (sealed storage, away from moisture and light)
Complexity	852
Exact Mass	616.1194979
PSA	252.36000
Target	Influenza Virus; Angiotensin-converting Enzyme (ACE)